NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
534691 |
2lbc   |
17554 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2lbc
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 1516
_Distance_constraint_stats_list.Viol_count 2284
_Distance_constraint_stats_list.Viol_total 3440.917
_Distance_constraint_stats_list.Viol_max 0.955
_Distance_constraint_stats_list.Viol_rms 0.0511
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0101
_Distance_constraint_stats_list.Viol_average_violations_only 0.1004
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 ASP 1.384 0.502 5 1 "[ + 1 .]"
1 2 ILE 1.652 0.502 5 1 "[ + 1 .]"
1 3 ASP 4.456 0.468 8 0 "[ . 1 .]"
1 4 GLU 2.890 0.799 8 3 "[ . +*1- .]"
1 5 SER 4.901 0.335 6 0 "[ . 1 .]"
1 6 SER 2.759 0.303 1 0 "[ . 1 .]"
1 7 VAL 5.165 0.827 4 3 "[ * +.- 1 .]"
1 8 MET 5.463 0.563 15 2 "[ . 1 - +]"
1 9 GLN 3.631 0.609 12 2 "[ . 1-+ .]"
1 10 LEU 3.078 0.424 11 0 "[ . 1 .]"
1 11 ALA 0.043 0.043 4 0 "[ . 1 .]"
1 12 GLU 0.000 0.000 . 0 "[ . 1 .]"
1 13 MET 2.499 0.891 14 3 "[ . -* +.]"
1 14 GLY 5.637 0.954 5 5 "[ + * -**]"
1 15 PHE 6.782 0.954 5 5 "[ + * -**]"
1 16 PRO 1.299 0.443 10 0 "[ . 1 .]"
1 17 LEU 2.814 0.191 1 0 "[ . 1 .]"
1 18 GLU 0.442 0.177 10 0 "[ . 1 .]"
1 19 ALA 0.519 0.179 3 0 "[ . 1 .]"
1 20 CYS 3.608 0.827 4 3 "[ * +.- 1 .]"
1 21 ARG 1.874 0.612 9 2 "[ . +1- .]"
1 22 LYS 0.939 0.179 3 0 "[ . 1 .]"
1 23 ALA 0.293 0.070 4 0 "[ . 1 .]"
1 24 VAL 1.353 0.799 8 1 "[ . + 1 .]"
1 25 TYR 0.030 0.030 8 0 "[ . 1 .]"
1 26 PHE 1.200 0.487 10 0 "[ . 1 .]"
1 27 THR 1.223 0.487 10 0 "[ . 1 .]"
1 28 GLY 0.023 0.016 10 0 "[ . 1 .]"
1 29 ASN 0.000 0.000 . 0 "[ . 1 .]"
1 30 MET 1.088 0.372 13 0 "[ . 1 .]"
1 31 GLY 0.000 0.000 . 0 "[ . 1 .]"
1 32 ALA 0.244 0.063 2 0 "[ . 1 .]"
1 33 GLU 6.923 0.471 11 0 "[ . 1 .]"
1 34 VAL 4.737 0.471 11 0 "[ . 1 .]"
1 35 ALA 0.146 0.032 11 0 "[ . 1 .]"
1 36 PHE 0.033 0.033 13 0 "[ . 1 .]"
1 37 ASN 8.357 0.955 6 7 "[ * **+ 1- * *]"
1 38 TRP 5.408 0.955 6 7 "[ * **+ 1- * *]"
1 39 ILE 2.928 0.261 9 0 "[ . 1 .]"
1 40 ILE 2.890 0.168 7 0 "[ . 1 .]"
1 41 VAL 1.526 0.166 10 0 "[ . 1 .]"
1 42 HIS 0.973 0.148 13 0 "[ . 1 .]"
1 43 MET 0.017 0.012 15 0 "[ . 1 .]"
1 44 GLU 3.385 0.319 10 0 "[ . 1 .]"
1 45 GLU 0.559 0.362 4 0 "[ . 1 .]"
1 46 PRO 3.117 0.139 3 0 "[ . 1 .]"
1 47 ASP 2.915 0.139 3 0 "[ . 1 .]"
1 48 PHE 0.362 0.362 4 0 "[ . 1 .]"
1 49 ALA 3.039 0.430 13 0 "[ . 1 .]"
1 50 GLU 5.244 0.516 5 1 "[ + 1 .]"
1 51 PRO 4.643 0.409 10 0 "[ . 1 .]"
1 52 LEU 4.665 0.409 10 0 "[ . 1 .]"
1 53 THR 0.000 0.000 . 0 "[ . 1 .]"
1 54 MET 0.401 0.087 5 0 "[ . 1 .]"
1 55 PRO 0.371 0.087 5 0 "[ . 1 .]"
1 56 GLY 0.000 0.000 . 0 "[ . 1 .]"
1 57 TYR 2.499 0.891 14 3 "[ . -* +.]"
1 59 GLY 0.000 0.000 . 0 "[ . 1 .]"
1 60 ALA 0.000 0.000 . 0 "[ . 1 .]"
1 61 ALA 0.000 0.000 . 0 "[ . 1 .]"
1 65 ALA 0.000 0.000 . 0 "[ . 1 .]"
1 67 VAL 0.000 0.000 . 0 "[ . 1 .]"
1 68 PHE 3.617 0.391 6 0 "[ . 1 .]"
1 70 ALA 0.000 0.000 . 0 "[ . 1 .]"
1 71 SER 0.541 0.271 15 0 "[ . 1 .]"
1 72 GLY 0.649 0.149 12 0 "[ . 1 .]"
1 73 LEU 3.457 0.572 15 3 "[ -. *1 +]"
1 74 ASP 1.215 0.394 11 0 "[ . 1 .]"
1 75 ASN 2.151 0.204 10 0 "[ . 1 .]"
1 76 GLN 2.445 0.204 10 0 "[ . 1 .]"
1 77 PRO 3.283 0.104 11 0 "[ . 1 .]"
1 78 PRO 4.690 0.199 2 0 "[ . 1 .]"
1 79 GLU 9.108 0.333 4 0 "[ . 1 .]"
1 80 GLU 1.157 0.327 12 0 "[ . 1 .]"
1 81 ILE 9.625 0.565 13 10 "[ * *.* -*** +**]"
1 82 VAL 10.206 0.333 4 0 "[ . 1 .]"
1 83 ALA 0.064 0.054 7 0 "[ . 1 .]"
1 84 ILE 1.539 0.069 8 0 "[ . 1 .]"
1 85 ILE 3.198 0.457 12 0 "[ . 1 .]"
1 86 THR 1.513 0.100 2 0 "[ . 1 .]"
1 87 SER 0.558 0.069 8 0 "[ . 1 .]"
1 88 MET 2.482 0.108 14 0 "[ . 1 .]"
1 89 GLY 2.820 0.108 14 0 "[ . 1 .]"
1 90 PHE 4.702 0.478 12 0 "[ . 1 .]"
1 91 GLN 15.035 0.478 12 0 "[ . 1 .]"
1 92 ARG 3.190 0.122 10 0 "[ . 1 .]"
1 93 ASN 3.272 0.124 12 0 "[ . 1 .]"
1 94 GLN 3.646 0.457 12 0 "[ . 1 .]"
1 95 ALA 1.837 0.090 12 0 "[ . 1 .]"
1 96 ILE 3.598 0.114 8 0 "[ . 1 .]"
1 97 GLN 4.214 0.095 6 0 "[ . 1 .]"
1 98 ALA 1.905 0.095 6 0 "[ . 1 .]"
1 99 LEU 10.150 0.261 10 0 "[ . 1 .]"
1 100 ARG 0.435 0.059 4 0 "[ . 1 .]"
1 101 ALA 0.000 0.000 . 0 "[ . 1 .]"
1 102 THR 4.802 0.182 8 0 "[ . 1 .]"
1 103 ASN 2.768 0.337 2 0 "[ . 1 .]"
1 104 ASN 2.419 0.110 8 0 "[ . 1 .]"
1 105 ASN 1.533 0.337 2 0 "[ . 1 .]"
1 106 LEU 8.286 0.565 13 10 "[ * *.* -*** +**]"
1 107 GLU 1.385 0.086 13 0 "[ . 1 .]"
1 108 ARG 11.750 0.195 9 0 "[ . 1 .]"
1 109 ALA 5.525 0.261 10 0 "[ . 1 .]"
1 110 LEU 0.877 0.060 9 0 "[ . 1 .]"
1 111 ASP 9.151 0.745 10 2 "[ . +- .]"
1 112 TRP 3.261 0.163 9 0 "[ . 1 .]"
1 113 ILE 4.756 0.917 7 1 "[ . + 1 .]"
1 114 PHE 5.071 0.867 1 3 "[+ . -* .]"
1 115 SER 5.410 0.867 1 2 "[+ . - .]"
1 116 HIS 8.525 0.917 7 1 "[ . + 1 .]"
1 117 PRO 10.345 0.356 3 0 "[ . 1 .]"
1 118 GLU 5.212 0.187 8 0 "[ . 1 .]"
1 119 PHE 8.250 0.402 15 0 "[ . 1 .]"
1 120 GLU 4.069 0.406 3 0 "[ . 1 .]"
1 121 GLU 0.766 0.406 3 0 "[ . 1 .]"
1 122 ASP 3.091 0.278 5 0 "[ . 1 .]"
1 123 SER 3.188 0.543 4 3 "[ +.* 1 -]"
1 124 ASP 5.333 0.654 5 6 "[ +-* *1 * *]"
1 125 PHE 0.759 0.479 8 0 "[ . 1 .]"
1 126 VAL 0.000 0.000 . 0 "[ . 1 .]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 ASP HA 1 2 ILE H 2.711 . 3.630 3.260 2.189 3.574 . 0 0 "[ . 1 .]" 1
2 1 1 ASP HB3 1 2 ILE H 2.620 . 3.478 2.906 1.743 3.660 0.182 10 0 "[ . 1 .]" 1
3 1 1 ASP HB3 1 2 ILE MD 3.298 . 4.658 3.955 2.203 5.160 0.502 5 1 "[ + 1 .]" 1
4 1 2 ILE H 1 2 ILE HA 2.971 . 4.074 2.763 2.255 2.952 . 0 0 "[ . 1 .]" 1
5 1 2 ILE H 1 2 ILE HB 2.814 . 3.804 2.773 2.258 3.684 . 0 0 "[ . 1 .]" 1
6 1 2 ILE H 1 2 ILE HG12 3.004 . 4.132 3.758 3.195 4.201 0.069 10 0 "[ . 1 .]" 1
7 1 2 ILE H 1 2 ILE HG13 2.998 . 4.121 2.699 1.878 3.649 . 0 0 "[ . 1 .]" 1
8 1 2 ILE H 1 2 ILE MG 3.134 . 4.362 3.818 3.657 3.975 . 0 0 "[ . 1 .]" 1
9 1 2 ILE HA 1 2 ILE HG13 2.883 . 3.922 2.894 2.284 3.155 . 0 0 "[ . 1 .]" 1
10 1 2 ILE HA 1 3 ASP H 2.406 . 3.130 2.214 2.121 2.373 . 0 0 "[ . 1 .]" 1
11 1 2 ILE HA 1 24 VAL MG1 3.350 . 4.753 2.411 1.882 3.151 0.065 8 0 "[ . 1 .]" 1
12 1 2 ILE HB 1 2 ILE MD 2.217 . 2.831 2.392 2.223 2.472 . 0 0 "[ . 1 .]" 1
13 1 2 ILE HB 1 2 ILE HG12 2.388 . 3.101 2.952 2.548 3.031 . 0 0 "[ . 1 .]" 1
14 1 2 ILE MD 1 2 ILE HG13 2.152 . 2.731 2.117 2.111 2.121 . 0 0 "[ . 1 .]" 1
15 1 2 ILE MD 1 25 TYR HB2 2.887 . 3.929 2.420 2.064 3.613 . 0 0 "[ . 1 .]" 1
16 1 2 ILE HG12 1 25 TYR HB2 2.807 . 3.792 2.672 1.792 3.334 0.030 8 0 "[ . 1 .]" 1
17 1 2 ILE MG 1 3 ASP H 3.069 . 4.246 3.139 2.517 3.702 . 0 0 "[ . 1 .]" 1
18 1 2 ILE MG 1 25 TYR H 3.022 . 4.164 2.960 2.557 3.372 . 0 0 "[ . 1 .]" 1
19 1 3 ASP H 1 3 ASP HB3 2.415 . 3.144 3.174 2.470 3.612 0.468 8 0 "[ . 1 .]" 1
20 1 3 ASP H 1 24 VAL MG1 3.168 . 4.423 2.156 1.609 2.593 0.304 14 0 "[ . 1 .]" 1
21 1 3 ASP HA 1 4 GLU H 2.374 . 3.078 2.267 2.129 2.379 . 0 0 "[ . 1 .]" 1
22 1 3 ASP HB3 1 6 SER H 2.883 . 3.922 3.391 2.676 4.013 0.091 7 0 "[ . 1 .]" 1
23 1 4 GLU H 1 4 GLU HA 2.913 . 3.974 2.842 2.834 2.852 . 0 0 "[ . 1 .]" 1
24 1 4 GLU H 1 4 GLU HB2 2.497 . 3.276 2.396 2.208 2.449 . 0 0 "[ . 1 .]" 1
25 1 4 GLU H 1 4 GLU HG2 2.900 . 3.951 3.543 3.293 4.121 0.170 8 0 "[ . 1 .]" 1
26 1 4 GLU H 1 5 SER H 3.064 . 4.238 2.591 2.506 2.670 . 0 0 "[ . 1 .]" 1
27 1 4 GLU HA 1 7 VAL H 2.590 . 3.428 2.886 2.705 3.056 . 0 0 "[ . 1 .]" 1
28 1 4 GLU HA 1 7 VAL HB 2.910 . 3.969 3.943 3.818 3.997 0.028 11 0 "[ . 1 .]" 1
29 1 4 GLU HB2 1 5 SER H 2.839 . 3.846 3.419 3.242 3.543 . 0 0 "[ . 1 .]" 1
30 1 4 GLU HG2 1 7 VAL MG1 2.460 . 3.216 2.810 2.111 3.018 . 0 0 "[ . 1 .]" 1
31 1 4 GLU HG2 1 21 ARG HD2 3.098 . 4.298 3.801 2.272 4.910 0.612 9 2 "[ . +1- .]" 1
32 1 4 GLU HG2 1 21 ARG QG 2.508 . 3.294 2.749 1.765 3.272 . 0 0 "[ . 1 .]" 1
33 1 4 GLU HG2 1 24 VAL MG1 3.420 . 4.882 4.720 4.588 5.681 0.799 8 1 "[ . + 1 .]" 1
34 1 5 SER H 1 5 SER HA 2.832 . 3.834 2.797 2.776 2.831 . 0 0 "[ . 1 .]" 1
35 1 5 SER H 1 5 SER HB3 2.477 . 3.244 3.154 2.388 3.579 0.335 6 0 "[ . 1 .]" 1
36 1 5 SER H 1 6 SER H 2.981 . 4.092 2.625 2.498 2.726 . 0 0 "[ . 1 .]" 1
37 1 5 SER HB3 1 6 SER H 2.739 . 3.677 3.589 2.734 3.980 0.303 1 0 "[ . 1 .]" 1
38 1 6 SER H 1 6 SER HB3 3.069 . 4.246 3.301 2.470 3.571 . 0 0 "[ . 1 .]" 1
39 1 6 SER H 1 7 VAL H 2.587 . 3.423 2.785 2.704 2.882 . 0 0 "[ . 1 .]" 1
40 1 6 SER HA 1 6 SER HB3 2.540 . 3.346 2.486 2.355 3.030 . 0 0 "[ . 1 .]" 1
41 1 6 SER HA 1 9 GLN H 2.818 . 3.811 3.571 3.431 3.747 . 0 0 "[ . 1 .]" 1
42 1 6 SER HA 1 9 GLN HB2 3.238 . 4.548 3.153 2.802 4.573 0.025 12 0 "[ . 1 .]" 1
43 1 6 SER HA 1 9 GLN HB3 3.201 . 4.482 4.302 3.167 4.527 0.045 6 0 "[ . 1 .]" 1
44 1 6 SER HA 1 32 ALA HA 2.612 . 3.465 3.256 2.754 3.528 0.063 2 0 "[ . 1 .]" 1
45 1 6 SER HA 1 32 ALA MB 2.815 . 3.805 2.539 2.185 3.038 . 0 0 "[ . 1 .]" 1
46 1 6 SER HB3 1 7 VAL H 3.304 . 4.669 3.490 2.355 3.897 . 0 0 "[ . 1 .]" 1
47 1 7 VAL H 1 7 VAL HA 2.928 . 3.999 2.819 2.805 2.841 . 0 0 "[ . 1 .]" 1
48 1 7 VAL H 1 7 VAL HB 2.410 . 3.136 2.743 2.656 2.841 . 0 0 "[ . 1 .]" 1
49 1 7 VAL H 1 7 VAL MG1 1.888 . 2.334 2.007 1.942 2.075 . 0 0 "[ . 1 .]" 1
50 1 7 VAL H 1 7 VAL MG2 3.267 . 4.601 3.785 3.772 3.795 . 0 0 "[ . 1 .]" 1
51 1 7 VAL H 1 8 MET H 2.805 . 3.788 2.639 2.574 2.693 . 0 0 "[ . 1 .]" 1
52 1 7 VAL HA 1 7 VAL HB 2.994 . 4.115 2.381 2.352 2.408 . 0 0 "[ . 1 .]" 1
53 1 7 VAL HA 1 7 VAL MG1 2.740 . 3.678 3.214 3.211 3.219 . 0 0 "[ . 1 .]" 1
54 1 7 VAL HA 1 7 VAL MG2 2.405 . 3.128 2.379 2.319 2.433 . 0 0 "[ . 1 .]" 1
55 1 7 VAL HA 1 10 LEU MD1 2.907 . 3.963 2.802 2.275 3.074 . 0 0 "[ . 1 .]" 1
56 1 7 VAL HA 1 20 CYS HB2 2.639 . 3.509 3.632 3.237 4.336 0.827 4 3 "[ * +.- 1 .]" 1
57 1 7 VAL HB 1 7 VAL MG1 1.956 . 2.434 2.118 2.113 2.123 . 0 0 "[ . 1 .]" 1
58 1 7 VAL HB 1 7 VAL MG2 2.323 . 2.998 2.123 2.120 2.128 . 0 0 "[ . 1 .]" 1
59 1 7 VAL HB 1 8 MET H 2.860 . 3.883 4.004 3.984 4.023 0.140 5 0 "[ . 1 .]" 1
60 1 7 VAL MG1 1 21 ARG HA 2.711 . 3.630 2.818 2.419 3.114 . 0 0 "[ . 1 .]" 1
61 1 7 VAL MG2 1 8 MET H 3.283 . 4.630 3.409 3.183 3.538 . 0 0 "[ . 1 .]" 1
62 1 7 VAL MG2 1 11 ALA MB 2.754 . 3.702 2.754 2.611 2.973 . 0 0 "[ . 1 .]" 1
63 1 7 VAL MG2 1 20 CYS HB2 2.451 . 3.202 3.228 3.164 3.271 0.069 15 0 "[ . 1 .]" 1
64 1 7 VAL MG2 1 20 CYS HB3 2.448 . 3.197 2.025 1.832 2.282 . 0 0 "[ . 1 .]" 1
65 1 7 VAL MG2 1 21 ARG H 2.836 . 3.842 2.431 2.015 2.737 . 0 0 "[ . 1 .]" 1
66 1 8 MET H 1 8 MET HA 2.624 . 3.485 2.810 2.790 2.830 . 0 0 "[ . 1 .]" 1
67 1 8 MET H 1 8 MET HB2 2.275 . 2.922 2.376 2.278 2.484 . 0 0 "[ . 1 .]" 1
68 1 8 MET H 1 8 MET HG2 2.560 . 3.379 3.482 2.443 3.942 0.563 15 2 "[ . 1 - +]" 1
69 1 8 MET H 1 8 MET HG3 3.148 . 4.387 2.654 2.237 3.813 . 0 0 "[ . 1 .]" 1
70 1 8 MET H 1 9 GLN H 2.634 . 3.501 2.688 2.643 2.732 . 0 0 "[ . 1 .]" 1
71 1 8 MET HA 1 8 MET HB2 2.311 . 2.979 3.001 2.984 3.015 0.036 4 0 "[ . 1 .]" 1
72 1 8 MET HA 1 8 MET HG2 3.457 . 4.951 2.491 2.333 2.840 . 0 0 "[ . 1 .]" 1
73 1 8 MET HA 1 8 MET HG3 3.101 . 4.303 3.000 2.611 3.670 . 0 0 "[ . 1 .]" 1
74 1 8 MET HA 1 11 ALA MB 2.482 . 3.252 2.112 1.921 2.301 . 0 0 "[ . 1 .]" 1
75 1 8 MET HB2 1 8 MET HG2 2.582 . 3.415 2.930 2.452 3.007 . 0 0 "[ . 1 .]" 1
76 1 8 MET HB2 1 8 MET HG3 2.294 . 2.952 2.435 2.364 2.540 . 0 0 "[ . 1 .]" 1
77 1 8 MET HG2 1 11 ALA MB 3.208 . 4.495 3.640 3.153 4.039 . 0 0 "[ . 1 .]" 1
78 1 9 GLN H 1 9 GLN HA 2.620 . 3.478 2.819 2.796 2.845 . 0 0 "[ . 1 .]" 1
79 1 9 GLN H 1 9 GLN HB2 2.307 . 2.972 2.548 2.284 3.581 0.609 12 2 "[ . 1-+ .]" 1
80 1 9 GLN H 1 9 GLN HB3 2.776 . 3.739 3.423 2.315 3.620 . 0 0 "[ . 1 .]" 1
81 1 9 GLN H 1 9 GLN HG3 2.704 . 3.618 3.192 2.337 3.942 0.324 11 0 "[ . 1 .]" 1
82 1 9 GLN H 1 10 LEU H 2.680 . 3.578 2.728 2.582 2.885 . 0 0 "[ . 1 .]" 1
83 1 9 GLN HA 1 9 GLN HB2 2.632 . 3.498 2.917 2.299 3.025 . 0 0 "[ . 1 .]" 1
84 1 9 GLN HA 1 9 GLN HG3 3.174 . 4.433 3.328 2.823 3.716 . 0 0 "[ . 1 .]" 1
85 1 9 GLN HA 1 12 GLU QG 3.053 . 4.218 3.359 2.163 4.169 . 0 0 "[ . 1 .]" 1
86 1 9 GLN HB2 1 9 GLN HG3 2.285 . 2.937 2.427 2.362 2.474 . 0 0 "[ . 1 .]" 1
87 1 9 GLN HB2 1 10 LEU H 2.741 . 3.680 2.802 2.344 4.104 0.424 11 0 "[ . 1 .]" 1
88 1 10 LEU H 1 10 LEU MD2 2.966 . 4.065 2.565 1.884 2.764 . 0 0 "[ . 1 .]" 1
89 1 10 LEU H 1 11 ALA H 2.725 . 3.653 2.549 2.478 2.659 . 0 0 "[ . 1 .]" 1
90 1 10 LEU H 1 13 MET QG 3.457 . 4.951 4.473 3.932 4.834 . 0 0 "[ . 1 .]" 1
91 1 10 LEU HA 1 10 LEU HB2 2.563 . 3.384 2.973 2.739 3.010 . 0 0 "[ . 1 .]" 1
92 1 10 LEU HA 1 10 LEU HB3 2.691 . 3.596 2.350 2.225 2.393 . 0 0 "[ . 1 .]" 1
93 1 10 LEU HA 1 10 LEU MD2 2.627 . 3.489 2.422 2.236 3.233 . 0 0 "[ . 1 .]" 1
94 1 10 LEU HA 1 13 MET H 3.116 . 4.329 3.754 3.170 4.178 . 0 0 "[ . 1 .]" 1
95 1 10 LEU HB2 1 10 LEU MD1 2.359 . 3.054 2.294 1.992 2.363 . 0 0 "[ . 1 .]" 1
96 1 10 LEU HB2 1 10 LEU MD2 2.707 . 3.623 3.183 3.094 3.199 . 0 0 "[ . 1 .]" 1
97 1 10 LEU HB2 1 11 ALA H 2.747 . 3.690 2.519 2.328 3.419 . 0 0 "[ . 1 .]" 1
98 1 10 LEU HB2 1 17 LEU HB3 3.068 . 4.244 4.096 3.616 4.349 0.105 2 0 "[ . 1 .]" 1
99 1 10 LEU HB3 1 10 LEU MD1 2.395 . 3.112 2.312 2.257 2.662 . 0 0 "[ . 1 .]" 1
100 1 10 LEU HB3 1 10 LEU MD2 2.744 . 3.686 2.419 2.186 2.509 . 0 0 "[ . 1 .]" 1
101 1 10 LEU HB3 1 11 ALA H 3.077 . 4.260 3.772 3.611 4.303 0.043 4 0 "[ . 1 .]" 1
102 1 10 LEU MD1 1 10 LEU HG 2.442 . 3.187 2.113 2.102 2.128 . 0 0 "[ . 1 .]" 1
103 1 10 LEU MD1 1 11 ALA H 3.282 . 4.628 4.242 3.692 4.390 . 0 0 "[ . 1 .]" 1
104 1 10 LEU MD1 1 17 LEU HA 3.437 . 4.913 4.622 4.546 4.709 . 0 0 "[ . 1 .]" 1
105 1 10 LEU MD2 1 11 ALA H 3.352 . 4.757 4.308 3.887 4.385 . 0 0 "[ . 1 .]" 1
106 1 10 LEU MD2 1 36 PHE HA 2.807 . 3.792 2.320 2.154 3.356 . 0 0 "[ . 1 .]" 1
107 1 10 LEU MD2 1 36 PHE HB2 2.675 . 3.570 2.645 2.309 3.096 . 0 0 "[ . 1 .]" 1
108 1 10 LEU HG 1 17 LEU HB2 2.880 . 3.917 4.055 3.941 4.108 0.191 1 0 "[ . 1 .]" 1
109 1 11 ALA H 1 11 ALA HA 2.415 . 3.144 2.799 2.789 2.817 . 0 0 "[ . 1 .]" 1
110 1 11 ALA H 1 11 ALA MB 2.412 . 3.139 2.135 2.076 2.183 . 0 0 "[ . 1 .]" 1
111 1 11 ALA H 1 12 GLU H 2.803 . 3.785 2.737 2.622 2.817 . 0 0 "[ . 1 .]" 1
112 1 11 ALA HA 1 11 ALA MB 2.236 . 2.861 2.116 2.106 2.123 . 0 0 "[ . 1 .]" 1
113 1 11 ALA HA 1 12 GLU H 3.168 . 4.423 3.533 3.461 3.561 . 0 0 "[ . 1 .]" 1
114 1 11 ALA HA 1 15 PHE H 3.258 . 4.585 3.324 2.282 4.176 . 0 0 "[ . 1 .]" 1
115 1 11 ALA MB 1 12 GLU H 2.680 . 3.578 2.515 2.336 2.787 . 0 0 "[ . 1 .]" 1
116 1 12 GLU H 1 12 GLU HA 2.597 . 3.440 2.829 2.792 2.884 . 0 0 "[ . 1 .]" 1
117 1 12 GLU H 1 12 GLU QB 2.294 . 2.952 2.357 2.109 2.469 . 0 0 "[ . 1 .]" 1
118 1 12 GLU H 1 12 GLU QG 2.834 . 3.838 2.471 2.193 3.720 . 0 0 "[ . 1 .]" 1
119 1 12 GLU H 1 13 MET H 2.801 . 3.781 2.635 2.376 2.777 . 0 0 "[ . 1 .]" 1
120 1 12 GLU HA 1 12 GLU QB 2.266 . 2.908 2.335 2.158 2.424 . 0 0 "[ . 1 .]" 1
121 1 12 GLU HA 1 13 MET H 4.297 . 6.605 3.466 3.298 3.585 . 0 0 "[ . 1 .]" 1
122 1 12 GLU QB 1 13 MET H 2.615 . 3.470 3.050 2.598 3.433 . 0 0 "[ . 1 .]" 1
123 1 13 MET H 1 13 MET HA 2.793 . 3.768 2.919 2.858 2.945 . 0 0 "[ . 1 .]" 1
124 1 13 MET H 1 13 MET QB 3.688 . 5.388 2.720 2.506 3.019 . 0 0 "[ . 1 .]" 1
125 1 13 MET H 1 13 MET QG 2.752 . 3.276 2.192 2.068 2.370 . 0 0 "[ . 1 .]" 1
126 1 13 MET H 1 14 GLY H 2.581 . 3.414 2.471 2.101 2.957 . 0 0 "[ . 1 .]" 1
127 1 13 MET HA 1 13 MET QG 2.691 . 3.596 3.155 2.451 3.328 . 0 0 "[ . 1 .]" 1
128 1 13 MET QB 1 57 TYR HB2 3.088 . 4.280 4.109 2.374 5.171 0.891 14 3 "[ . -* +.]" 1
129 1 14 GLY H 1 14 GLY HA2 2.391 . 3.106 2.728 2.311 2.910 . 0 0 "[ . 1 .]" 1
130 1 14 GLY H 1 14 GLY HA3 2.162 . 2.746 2.809 2.671 2.957 0.211 10 0 "[ . 1 .]" 1
131 1 14 GLY H 1 15 PHE H 2.782 . 3.749 3.081 2.072 3.717 . 0 0 "[ . 1 .]" 1
132 1 14 GLY HA2 1 15 PHE H 2.880 . 3.917 3.130 2.177 3.491 . 0 0 "[ . 1 .]" 1
133 1 14 GLY HA3 1 15 PHE H 2.058 . 2.587 2.649 2.130 3.541 0.954 5 5 "[ + * -**]" 1
134 1 15 PHE H 1 15 PHE HB2 2.696 . 3.604 3.028 2.454 3.999 0.395 3 0 "[ . 1 .]" 1
135 1 15 PHE H 1 15 PHE HB3 3.064 . 4.238 3.758 3.273 4.129 . 0 0 "[ . 1 .]" 1
136 1 15 PHE HA 1 15 PHE HB2 2.731 . 3.663 2.919 2.466 3.034 . 0 0 "[ . 1 .]" 1
137 1 15 PHE HA 1 15 PHE HB3 2.756 . 3.706 2.512 2.402 3.031 . 0 0 "[ . 1 .]" 1
138 1 15 PHE HA 1 16 PRO HD2 2.651 . 3.529 2.319 1.952 2.952 . 0 0 "[ . 1 .]" 1
139 1 15 PHE HA 1 16 PRO HD3 2.443 . 3.189 2.417 2.109 2.739 . 0 0 "[ . 1 .]" 1
140 1 15 PHE HA 1 55 PRO HD2 2.801 . 3.782 3.077 2.151 3.821 0.039 2 0 "[ . 1 .]" 1
141 1 15 PHE HA 1 55 PRO HD3 2.809 . 3.796 3.414 2.462 3.830 0.034 7 0 "[ . 1 .]" 1
142 1 15 PHE HB2 1 16 PRO HD2 2.986 . 4.100 3.537 1.723 4.240 0.149 3 0 "[ . 1 .]" 1
143 1 15 PHE HB3 1 16 PRO HD2 2.832 . 3.834 2.571 1.808 3.977 0.143 10 0 "[ . 1 .]" 1
144 1 15 PHE HB3 1 16 PRO HD3 3.102 . 4.305 3.898 3.298 4.748 0.443 10 0 "[ . 1 .]" 1
145 1 16 PRO HA 1 16 PRO HB2 2.482 . 3.252 2.711 2.677 2.757 . 0 0 "[ . 1 .]" 1
146 1 16 PRO HA 1 16 PRO HB3 2.883 . 3.922 2.310 2.285 2.330 . 0 0 "[ . 1 .]" 1
147 1 16 PRO HA 1 16 PRO HG3 3.088 . 4.280 4.043 3.990 4.082 . 0 0 "[ . 1 .]" 1
148 1 16 PRO HA 1 17 LEU H 2.530 . 3.330 2.389 2.267 2.566 . 0 0 "[ . 1 .]" 1
149 1 16 PRO HB2 1 49 ALA MB 3.328 . 4.712 4.184 3.725 4.487 . 0 0 "[ . 1 .]" 1
150 1 16 PRO HD2 1 16 PRO HG2 2.602 . 3.448 2.315 2.286 2.361 . 0 0 "[ . 1 .]" 1
151 1 16 PRO HD2 1 16 PRO HG3 2.962 . 4.058 2.695 2.625 2.744 . 0 0 "[ . 1 .]" 1
152 1 16 PRO HD3 1 16 PRO HG2 2.490 . 3.265 2.994 2.976 3.021 . 0 0 "[ . 1 .]" 1
153 1 16 PRO HD3 1 16 PRO HG3 2.585 . 3.420 2.318 2.298 2.368 . 0 0 "[ . 1 .]" 1
154 1 16 PRO HG2 1 49 ALA MB 2.567 . 3.391 3.302 3.141 3.428 0.037 3 0 "[ . 1 .]" 1
155 1 17 LEU H 1 17 LEU HB2 2.743 . 3.683 2.415 2.169 2.620 . 0 0 "[ . 1 .]" 1
156 1 17 LEU H 1 17 LEU HB3 2.913 . 3.974 3.600 3.457 3.698 . 0 0 "[ . 1 .]" 1
157 1 17 LEU HA 1 17 LEU HB2 2.754 . 3.702 3.018 2.963 3.041 . 0 0 "[ . 1 .]" 1
158 1 17 LEU HA 1 17 LEU HB3 2.550 . 3.363 2.526 2.427 2.696 . 0 0 "[ . 1 .]" 1
159 1 17 LEU HA 1 17 LEU MD2 2.738 . 3.675 2.234 1.927 2.963 . 0 0 "[ . 1 .]" 1
160 1 17 LEU HA 1 17 LEU HG 2.910 . 3.969 3.246 2.803 3.701 . 0 0 "[ . 1 .]" 1
161 1 17 LEU HB2 1 17 LEU MD1 2.675 . 3.570 2.614 2.271 3.204 . 0 0 "[ . 1 .]" 1
162 1 17 LEU HB2 1 39 ILE HG12 2.567 . 3.391 3.394 3.038 3.487 0.096 4 0 "[ . 1 .]" 1
163 1 17 LEU HB2 1 39 ILE MG 3.398 . 4.842 4.483 4.135 4.641 . 0 0 "[ . 1 .]" 1
164 1 17 LEU HB3 1 17 LEU MD1 3.025 . 4.169 2.428 2.363 2.488 . 0 0 "[ . 1 .]" 1
165 1 17 LEU HB3 1 39 ILE HG12 2.083 . 2.626 2.397 1.941 2.603 . 0 0 "[ . 1 .]" 1
166 1 18 GLU H 1 18 GLU HA 2.894 . 3.941 2.773 2.763 2.793 . 0 0 "[ . 1 .]" 1
167 1 18 GLU H 1 18 GLU HB2 2.863 . 3.888 2.178 2.033 2.285 . 0 0 "[ . 1 .]" 1
168 1 18 GLU H 1 18 GLU HB3 2.425 . 3.160 2.996 2.881 3.337 0.177 10 0 "[ . 1 .]" 1
169 1 18 GLU H 1 18 GLU QG 3.240 . 3.979 3.743 3.604 3.821 . 0 0 "[ . 1 .]" 1
170 1 18 GLU H 1 19 ALA H 2.916 . 3.979 2.700 2.650 2.750 . 0 0 "[ . 1 .]" 1
171 1 18 GLU HA 1 18 GLU HB2 2.627 . 3.489 2.674 2.601 2.889 . 0 0 "[ . 1 .]" 1
172 1 18 GLU HA 1 18 GLU HB3 2.756 . 3.706 2.959 2.775 2.995 . 0 0 "[ . 1 .]" 1
173 1 18 GLU HA 1 19 ALA H 3.168 . 4.423 3.454 3.423 3.479 . 0 0 "[ . 1 .]" 1
174 1 18 GLU HA 1 21 ARG H 3.260 . 4.588 2.691 2.566 2.861 . 0 0 "[ . 1 .]" 1
175 1 18 GLU HB2 1 19 ALA H 3.197 . 4.475 3.734 3.292 3.871 . 0 0 "[ . 1 .]" 1
176 1 18 GLU HB2 1 49 ALA HA 3.475 . 4.984 4.581 3.529 5.045 0.061 6 0 "[ . 1 .]" 1
177 1 18 GLU HB3 1 19 ALA H 3.073 . 4.253 3.072 2.950 3.396 . 0 0 "[ . 1 .]" 1
178 1 18 GLU HB3 1 22 LYS QE 2.986 . 3.809 2.877 2.480 3.252 . 0 0 "[ . 1 .]" 1
179 1 18 GLU QG 1 21 ARG HB2 2.731 . 3.663 3.098 2.796 3.444 . 0 0 "[ . 1 .]" 1
180 1 18 GLU QG 1 21 ARG QG . . 3.037 2.988 2.931 3.061 0.024 11 0 "[ . 1 .]" 1
181 1 19 ALA H 1 19 ALA HA 2.778 . 3.742 2.787 2.780 2.798 . 0 0 "[ . 1 .]" 1
182 1 19 ALA H 1 19 ALA MB 2.491 . 3.267 2.167 2.142 2.220 . 0 0 "[ . 1 .]" 1
183 1 19 ALA H 1 20 CYS H 2.638 . 3.508 2.635 2.601 2.672 . 0 0 "[ . 1 .]" 1
184 1 19 ALA HA 1 19 ALA MB 2.361 . 3.058 2.122 2.116 2.134 . 0 0 "[ . 1 .]" 1
185 1 19 ALA HA 1 20 CYS H 2.750 . 3.696 3.480 3.458 3.497 . 0 0 "[ . 1 .]" 1
186 1 19 ALA HA 1 22 LYS H 2.739 . 3.677 3.525 3.279 3.702 0.025 8 0 "[ . 1 .]" 1
187 1 19 ALA HA 1 22 LYS QE 2.946 . 4.031 2.046 1.746 2.386 0.179 3 0 "[ . 1 .]" 1
188 1 19 ALA MB 1 20 CYS H 2.718 . 3.641 2.657 2.551 2.786 . 0 0 "[ . 1 .]" 1
189 1 19 ALA MB 1 49 ALA HA 2.978 . 4.086 3.360 1.808 3.974 0.062 5 0 "[ . 1 .]" 1
190 1 20 CYS H 1 20 CYS HB2 2.754 . 3.702 2.533 2.465 2.586 . 0 0 "[ . 1 .]" 1
191 1 20 CYS H 1 20 CYS HB3 2.784 . 3.753 2.630 2.570 2.683 . 0 0 "[ . 1 .]" 1
192 1 20 CYS H 1 21 ARG H 2.871 . 3.901 2.478 2.433 2.556 . 0 0 "[ . 1 .]" 1
193 1 20 CYS H 1 22 LYS QE 3.310 . 4.679 4.598 4.451 4.651 . 0 0 "[ . 1 .]" 1
194 1 20 CYS HA 1 20 CYS HB2 2.707 . 3.623 2.538 2.508 2.575 . 0 0 "[ . 1 .]" 1
195 1 20 CYS HA 1 20 CYS HB3 2.651 . 3.529 3.021 3.010 3.026 . 0 0 "[ . 1 .]" 1
196 1 20 CYS HA 1 21 ARG H 3.210 . 4.498 3.527 3.500 3.557 . 0 0 "[ . 1 .]" 1
197 1 20 CYS HA 1 23 ALA H 3.353 . 4.759 3.047 2.770 3.242 . 0 0 "[ . 1 .]" 1
198 1 20 CYS HA 1 23 ALA MB 2.677 . 3.573 1.895 1.711 2.048 0.070 4 0 "[ . 1 .]" 1
199 1 20 CYS HA 1 39 ILE MD 3.058 . 4.227 2.314 1.628 2.581 0.261 9 0 "[ . 1 .]" 1
200 1 20 CYS HB2 1 21 ARG H 2.905 . 3.960 3.718 3.603 3.853 . 0 0 "[ . 1 .]" 1
201 1 20 CYS HB3 1 21 ARG H 2.820 . 3.814 2.486 2.366 2.736 . 0 0 "[ . 1 .]" 1
202 1 21 ARG H 1 21 ARG HB2 2.525 . 3.322 2.449 2.060 2.863 . 0 0 "[ . 1 .]" 1
203 1 21 ARG H 1 21 ARG HB3 2.486 . 3.258 2.629 2.261 3.306 0.048 10 0 "[ . 1 .]" 1
204 1 21 ARG H 1 21 ARG QG 3.580 . 5.182 3.843 3.339 3.980 . 0 0 "[ . 1 .]" 1
205 1 21 ARG H 1 22 LYS H 2.916 . 3.979 2.882 2.794 2.974 . 0 0 "[ . 1 .]" 1
206 1 21 ARG HA 1 21 ARG HB2 2.318 . 2.990 2.500 2.311 2.852 . 0 0 "[ . 1 .]" 1
207 1 21 ARG HD2 1 21 ARG QG 2.534 . 3.337 2.303 2.144 2.414 . 0 0 "[ . 1 .]" 1
208 1 22 LYS H 1 22 LYS HA 2.390 . 3.104 2.843 2.812 2.864 . 0 0 "[ . 1 .]" 1
209 1 22 LYS H 1 22 LYS QB 2.861 . 2.972 2.517 2.267 2.654 . 0 0 "[ . 1 .]" 1
210 1 22 LYS HA 1 22 LYS QB 2.861 . 3.884 2.258 2.171 2.425 . 0 0 "[ . 1 .]" 1
211 1 22 LYS HA 1 22 LYS HG2 2.986 . 4.100 3.248 2.619 3.709 . 0 0 "[ . 1 .]" 1
212 1 22 LYS HA 1 25 TYR H 2.961 . 4.057 3.388 2.916 3.769 . 0 0 "[ . 1 .]" 1
213 1 22 LYS HA 1 25 TYR HB2 3.122 . 4.341 3.576 2.769 4.113 . 0 0 "[ . 1 .]" 1
214 1 22 LYS HA 1 25 TYR HB3 3.058 . 4.227 2.772 2.378 3.267 . 0 0 "[ . 1 .]" 1
215 1 22 LYS QB 1 22 LYS HD3 2.427 . 3.163 2.625 2.302 3.319 0.156 6 0 "[ . 1 .]" 1
216 1 22 LYS QB 1 22 LYS QE 3.111 . 4.321 2.685 1.826 3.399 0.075 14 0 "[ . 1 .]" 1
217 1 23 ALA H 1 23 ALA HA 2.654 . 3.534 2.824 2.772 2.858 . 0 0 "[ . 1 .]" 1
218 1 23 ALA H 1 23 ALA MB 2.165 . 2.751 2.235 2.210 2.256 . 0 0 "[ . 1 .]" 1
219 1 23 ALA H 1 24 VAL H 2.271 . 2.916 2.651 2.534 2.846 . 0 0 "[ . 1 .]" 1
220 1 23 ALA HA 1 23 ALA MB 2.417 . 3.147 2.127 2.123 2.130 . 0 0 "[ . 1 .]" 1
221 1 23 ALA HA 1 24 VAL H 3.053 . 4.218 3.541 3.526 3.560 . 0 0 "[ . 1 .]" 1
222 1 23 ALA HA 1 26 PHE H 2.987 . 4.102 3.135 2.948 3.293 . 0 0 "[ . 1 .]" 1
223 1 23 ALA MB 1 24 VAL H 1.961 . 2.442 2.442 2.397 2.491 0.049 6 0 "[ . 1 .]" 1
224 1 23 ALA MB 1 39 ILE MD 2.990 . 4.108 3.021 2.319 3.355 . 0 0 "[ . 1 .]" 1
225 1 24 VAL H 1 24 VAL HA 2.271 . 2.916 2.791 2.770 2.822 . 0 0 "[ . 1 .]" 1
226 1 24 VAL H 1 24 VAL HB 2.290 . 2.946 2.533 2.420 2.612 . 0 0 "[ . 1 .]" 1
227 1 24 VAL H 1 24 VAL MG1 3.324 . 4.705 3.770 3.750 3.786 . 0 0 "[ . 1 .]" 1
228 1 24 VAL H 1 24 VAL MG2 2.379 . 3.087 2.108 1.992 2.305 . 0 0 "[ . 1 .]" 1
229 1 24 VAL H 1 25 TYR H 2.248 . 2.880 2.778 2.658 2.829 . 0 0 "[ . 1 .]" 1
230 1 24 VAL HA 1 24 VAL MG1 2.646 . 3.521 2.465 2.410 2.548 . 0 0 "[ . 1 .]" 1
231 1 24 VAL HA 1 24 VAL MG2 2.462 . 3.220 2.362 2.293 2.401 . 0 0 "[ . 1 .]" 1
232 1 24 VAL HA 1 27 THR MG 2.683 . 3.583 3.377 3.235 3.459 . 0 0 "[ . 1 .]" 1
233 1 24 VAL HB 1 24 VAL MG1 2.367 . 3.067 2.126 2.119 2.129 . 0 0 "[ . 1 .]" 1
234 1 24 VAL HB 1 25 TYR H 2.452 . 3.204 2.518 2.388 2.635 . 0 0 "[ . 1 .]" 1
235 1 24 VAL MG1 1 25 TYR H 3.260 . 4.588 3.294 3.082 3.379 . 0 0 "[ . 1 .]" 1
236 1 24 VAL MG1 1 29 ASN H 3.022 . 4.164 3.261 2.745 3.552 . 0 0 "[ . 1 .]" 1
237 1 24 VAL MG1 1 29 ASN HA 2.683 . 3.583 2.367 1.862 3.164 . 0 0 "[ . 1 .]" 1
238 1 24 VAL MG1 1 30 MET H 2.998 . 4.121 3.712 3.274 3.973 . 0 0 "[ . 1 .]" 1
239 1 24 VAL MG2 1 25 TYR H 3.200 . 4.480 3.827 3.738 3.941 . 0 0 "[ . 1 .]" 1
240 1 25 TYR H 1 25 TYR HA 2.420 . 3.152 2.814 2.775 2.848 . 0 0 "[ . 1 .]" 1
241 1 25 TYR H 1 25 TYR HB2 2.536 . 3.340 2.595 2.506 2.707 . 0 0 "[ . 1 .]" 1
242 1 25 TYR H 1 25 TYR HB3 2.539 . 3.345 2.492 2.371 2.579 . 0 0 "[ . 1 .]" 1
243 1 25 TYR H 1 26 PHE H 3.022 . 4.164 2.719 2.601 2.860 . 0 0 "[ . 1 .]" 1
244 1 25 TYR HA 1 25 TYR HB2 2.591 . 3.430 2.433 2.363 2.487 . 0 0 "[ . 1 .]" 1
245 1 25 TYR HB2 1 26 PHE H 3.153 . 4.396 3.927 3.811 4.063 . 0 0 "[ . 1 .]" 1
246 1 25 TYR HB3 1 26 PHE H 2.846 . 3.858 2.625 2.431 2.805 . 0 0 "[ . 1 .]" 1
247 1 26 PHE H 1 26 PHE HB3 2.716 . 3.638 2.732 2.424 3.603 . 0 0 "[ . 1 .]" 1
248 1 26 PHE H 1 27 THR H 2.839 . 3.846 2.677 2.595 2.760 . 0 0 "[ . 1 .]" 1
249 1 26 PHE HA 1 26 PHE HB2 2.668 . 3.557 2.572 2.420 3.020 . 0 0 "[ . 1 .]" 1
250 1 26 PHE HA 1 26 PHE HB3 2.607 . 3.456 2.927 2.526 3.028 . 0 0 "[ . 1 .]" 1
251 1 26 PHE HB3 1 27 THR H 2.623 . 3.483 2.820 2.520 3.634 0.151 10 0 "[ . 1 .]" 1
252 1 26 PHE HB3 1 27 THR MG 2.781 . 3.747 3.540 3.313 4.234 0.487 10 0 "[ . 1 .]" 1
253 1 27 THR H 1 27 THR HA 2.851 . 3.867 2.823 2.794 2.840 . 0 0 "[ . 1 .]" 1
254 1 27 THR H 1 27 THR MG 2.814 . 3.804 2.393 2.245 2.491 . 0 0 "[ . 1 .]" 1
255 1 27 THR H 1 28 GLY H 2.611 . 3.463 2.592 2.531 2.647 . 0 0 "[ . 1 .]" 1
256 1 27 THR HA 1 27 THR MG 2.240 . 2.867 2.262 2.229 2.351 . 0 0 "[ . 1 .]" 1
257 1 27 THR HA 1 28 GLY H 3.022 . 4.164 3.411 3.353 3.471 . 0 0 "[ . 1 .]" 1
258 1 27 THR HA 1 28 GLY HA3 3.228 . 4.531 4.525 4.507 4.547 0.016 10 0 "[ . 1 .]" 1
259 1 27 THR HA 1 34 VAL QG 3.451 . 4.940 4.294 4.043 4.462 . 0 0 "[ . 1 .]" 1
260 1 27 THR HB 1 27 THR MG 2.363 . 3.061 2.130 2.127 2.133 . 0 0 "[ . 1 .]" 1
261 1 27 THR HB 1 34 VAL QG 2.375 . 3.080 2.680 2.354 2.859 . 0 0 "[ . 1 .]" 1
262 1 27 THR MG 1 28 GLY H 3.420 . 4.882 4.153 4.066 4.216 . 0 0 "[ . 1 .]" 1
263 1 27 THR MG 1 35 ALA HA 2.950 . 4.038 2.847 2.508 3.040 . 0 0 "[ . 1 .]" 1
264 1 27 THR MG 1 38 TRP HB2 2.695 . 3.603 2.849 2.693 2.990 . 0 0 "[ . 1 .]" 1
265 1 27 THR MG 1 38 TRP HB3 3.007 . 4.137 3.611 3.428 3.751 . 0 0 "[ . 1 .]" 1
266 1 28 GLY H 1 28 GLY HA2 2.455 . 3.209 2.345 2.311 2.394 . 0 0 "[ . 1 .]" 1
267 1 28 GLY H 1 28 GLY HA3 2.640 . 3.511 2.909 2.867 2.943 . 0 0 "[ . 1 .]" 1
268 1 28 GLY H 1 29 ASN H 2.928 . 3.999 2.261 2.047 2.517 . 0 0 "[ . 1 .]" 1
269 1 28 GLY HA2 1 29 ASN H 3.134 . 4.362 2.909 2.682 2.999 . 0 0 "[ . 1 .]" 1
270 1 28 GLY HA3 1 29 ASN H 3.139 . 4.370 3.479 3.417 3.554 . 0 0 "[ . 1 .]" 1
271 1 29 ASN H 1 29 ASN HA 2.428 . 3.165 2.265 2.246 2.277 . 0 0 "[ . 1 .]" 1
272 1 29 ASN H 1 29 ASN HB2 3.094 . 4.290 3.443 3.077 4.021 . 0 0 "[ . 1 .]" 1
273 1 29 ASN H 1 30 MET H 2.809 . 3.795 2.909 2.745 3.122 . 0 0 "[ . 1 .]" 1
274 1 29 ASN HA 1 29 ASN HB2 2.651 . 3.529 2.756 2.466 3.030 . 0 0 "[ . 1 .]" 1
275 1 29 ASN HA 1 29 ASN HB3 2.804 . 3.787 2.690 2.354 3.030 . 0 0 "[ . 1 .]" 1
276 1 29 ASN HA 1 30 MET H 2.666 . 3.554 2.520 2.352 2.666 . 0 0 "[ . 1 .]" 1
277 1 30 MET H 1 30 MET HB2 2.805 . 3.788 2.341 2.138 2.528 . 0 0 "[ . 1 .]" 1
278 1 30 MET H 1 30 MET HB3 2.825 . 3.822 3.590 3.440 3.714 . 0 0 "[ . 1 .]" 1
279 1 30 MET H 1 30 MET HG2 2.631 . 3.496 2.976 2.595 3.868 0.372 13 0 "[ . 1 .]" 1
280 1 30 MET H 1 31 GLY H 2.770 . 3.729 2.520 2.084 2.915 . 0 0 "[ . 1 .]" 1
281 1 30 MET HB2 1 30 MET HG3 2.754 . 3.702 2.416 2.375 2.445 . 0 0 "[ . 1 .]" 1
282 1 30 MET HB2 1 34 VAL QG 2.751 . 3.697 2.132 1.921 2.333 . 0 0 "[ . 1 .]" 1
283 1 30 MET HB3 1 34 VAL QG 2.855 . 3.874 1.879 1.708 2.463 0.128 6 0 "[ . 1 .]" 1
284 1 31 GLY H 1 31 GLY HA2 2.470 . 3.233 2.514 2.295 2.823 . 0 0 "[ . 1 .]" 1
285 1 31 GLY H 1 31 GLY HA3 2.606 . 3.455 2.907 2.781 2.952 . 0 0 "[ . 1 .]" 1
286 1 31 GLY HA2 1 32 ALA H 2.718 . 3.641 2.471 2.322 2.618 . 0 0 "[ . 1 .]" 1
287 1 31 GLY HA3 1 32 ALA H 2.674 . 3.567 2.608 2.426 2.802 . 0 0 "[ . 1 .]" 1
288 1 32 ALA H 1 32 ALA HA 2.937 . 4.015 2.810 2.759 2.841 . 0 0 "[ . 1 .]" 1
289 1 32 ALA H 1 32 ALA MB 2.522 . 3.317 2.218 2.171 2.247 . 0 0 "[ . 1 .]" 1
290 1 32 ALA H 1 33 GLU H 3.134 . 4.362 2.715 2.585 2.882 . 0 0 "[ . 1 .]" 1
291 1 32 ALA HA 1 32 ALA MB 2.018 . 2.527 2.125 2.119 2.129 . 0 0 "[ . 1 .]" 1
292 1 32 ALA HA 1 35 ALA H 3.144 . 4.379 3.687 3.473 4.076 . 0 0 "[ . 1 .]" 1
293 1 32 ALA MB 1 33 GLU H 2.905 . 3.960 2.452 2.155 2.724 . 0 0 "[ . 1 .]" 1
294 1 33 GLU H 1 33 GLU HA 2.667 . 3.556 2.801 2.753 2.861 . 0 0 "[ . 1 .]" 1
295 1 33 GLU H 1 33 GLU HB2 2.750 . 3.696 2.531 2.267 2.675 . 0 0 "[ . 1 .]" 1
296 1 33 GLU H 1 33 GLU HB3 2.743 . 3.683 3.532 2.694 3.605 . 0 0 "[ . 1 .]" 1
297 1 33 GLU H 1 33 GLU HG3 2.925 . 3.994 3.154 2.088 4.219 0.225 15 0 "[ . 1 .]" 1
298 1 33 GLU H 1 34 VAL H 2.786 . 3.756 2.724 2.423 3.043 . 0 0 "[ . 1 .]" 1
299 1 33 GLU HA 1 33 GLU HB2 2.199 . 2.803 2.989 2.536 3.023 0.220 5 0 "[ . 1 .]" 1
300 1 33 GLU HA 1 33 GLU HG3 2.731 . 3.663 3.340 2.476 3.828 0.165 11 0 "[ . 1 .]" 1
301 1 33 GLU HB3 1 34 VAL H 2.661 . 3.546 3.597 2.348 4.017 0.471 11 0 "[ . 1 .]" 1
302 1 33 GLU HG3 1 34 VAL H 3.428 . 4.897 4.675 4.098 5.041 0.144 12 0 "[ . 1 .]" 1
303 1 34 VAL H 1 34 VAL HA 2.718 . 3.641 2.823 2.794 2.855 . 0 0 "[ . 1 .]" 1
304 1 34 VAL H 1 34 VAL HB 2.554 . 3.369 2.571 2.449 3.575 0.206 13 0 "[ . 1 .]" 1
305 1 34 VAL H 1 34 VAL QG 3.216 . 4.509 2.106 1.823 2.237 0.100 13 0 "[ . 1 .]" 1
306 1 34 VAL H 1 35 ALA H 2.728 . 3.658 2.670 2.569 2.770 . 0 0 "[ . 1 .]" 1
307 1 34 VAL HA 1 34 VAL HB 2.642 . 3.515 2.985 2.469 3.029 . 0 0 "[ . 1 .]" 1
308 1 34 VAL HA 1 34 VAL QG 2.505 . 3.290 2.122 2.101 2.237 . 0 0 "[ . 1 .]" 1
309 1 34 VAL HA 1 35 ALA H 3.049 . 4.211 3.549 3.493 3.566 . 0 0 "[ . 1 .]" 1
310 1 34 VAL HA 1 37 ASN HB2 3.216 . 4.509 3.184 2.686 3.683 . 0 0 "[ . 1 .]" 1
311 1 34 VAL HA 1 37 ASN HB3 3.063 . 4.236 3.575 2.343 4.522 0.286 4 0 "[ . 1 .]" 1
312 1 34 VAL HB 1 34 VAL QG 1.983 . 2.474 1.895 1.888 1.898 . 0 0 "[ . 1 .]" 1
313 1 34 VAL HB 1 35 ALA H 2.977 . 4.085 2.731 2.504 3.864 . 0 0 "[ . 1 .]" 1
314 1 34 VAL QG 1 35 ALA H 2.709 . 3.626 3.141 2.266 3.250 . 0 0 "[ . 1 .]" 1
315 1 35 ALA H 1 35 ALA HA 2.827 . 3.826 2.869 2.858 2.876 . 0 0 "[ . 1 .]" 1
316 1 35 ALA H 1 35 ALA MB 2.714 . 3.635 2.287 2.276 2.300 . 0 0 "[ . 1 .]" 1
317 1 35 ALA H 1 36 PHE H 2.737 . 3.674 2.486 2.444 2.563 . 0 0 "[ . 1 .]" 1
318 1 35 ALA H 1 37 ASN H 2.925 . 3.994 3.987 3.850 4.026 0.032 11 0 "[ . 1 .]" 1
319 1 35 ALA HA 1 35 ALA MB 2.291 . 2.947 2.107 2.097 2.115 . 0 0 "[ . 1 .]" 1
320 1 35 ALA HA 1 36 PHE H 3.269 . 4.605 3.522 3.489 3.549 . 0 0 "[ . 1 .]" 1
321 1 35 ALA HA 1 38 TRP H 3.534 . 5.095 2.779 2.717 2.893 . 0 0 "[ . 1 .]" 1
322 1 35 ALA MB 1 38 TRP H 3.317 . 4.692 4.148 4.101 4.197 . 0 0 "[ . 1 .]" 1
323 1 35 ALA MB 1 38 TRP HB2 3.090 . 4.284 3.916 3.797 3.994 . 0 0 "[ . 1 .]" 1
324 1 35 ALA MB 1 38 TRP HB3 2.788 . 3.760 3.510 3.290 3.610 . 0 0 "[ . 1 .]" 1
325 1 36 PHE H 1 36 PHE HA 2.619 . 3.476 2.798 2.766 2.822 . 0 0 "[ . 1 .]" 1
326 1 36 PHE H 1 36 PHE HB2 2.449 . 3.198 2.640 2.517 2.694 . 0 0 "[ . 1 .]" 1
327 1 36 PHE H 1 36 PHE HB3 2.588 . 3.425 2.438 2.372 2.530 . 0 0 "[ . 1 .]" 1
328 1 36 PHE H 1 37 ASN H 2.853 . 3.871 2.706 2.615 2.829 . 0 0 "[ . 1 .]" 1
329 1 36 PHE HA 1 36 PHE HB2 2.426 . 3.162 2.407 2.381 2.455 . 0 0 "[ . 1 .]" 1
330 1 36 PHE HA 1 36 PHE HB3 2.610 . 3.462 3.030 3.024 3.034 . 0 0 "[ . 1 .]" 1
331 1 36 PHE HA 1 37 ASN H 2.902 . 3.955 3.541 3.528 3.554 . 0 0 "[ . 1 .]" 1
332 1 36 PHE HA 1 39 ILE HB 2.773 . 3.734 3.317 2.836 3.767 0.033 13 0 "[ . 1 .]" 1
333 1 36 PHE HB3 1 37 ASN H 2.623 . 3.483 2.542 2.487 2.616 . 0 0 "[ . 1 .]" 1
334 1 37 ASN H 1 37 ASN HA 2.796 . 3.773 2.818 2.800 2.837 . 0 0 "[ . 1 .]" 1
335 1 37 ASN H 1 37 ASN HB2 2.622 . 3.481 2.449 2.276 2.717 . 0 0 "[ . 1 .]" 1
336 1 37 ASN H 1 37 ASN HB3 2.520 . 3.314 3.000 2.320 3.575 0.261 6 0 "[ . 1 .]" 1
337 1 37 ASN HA 1 37 ASN HB2 2.489 . 3.263 2.718 2.375 3.020 . 0 0 "[ . 1 .]" 1
338 1 37 ASN HA 1 37 ASN HB3 2.668 . 3.557 2.811 2.514 3.030 . 0 0 "[ . 1 .]" 1
339 1 37 ASN HA 1 40 ILE MD 3.395 . 4.836 2.937 2.355 3.457 . 0 0 "[ . 1 .]" 1
340 1 37 ASN HA 1 40 ILE HG13 2.921 . 3.987 2.178 1.832 2.484 0.023 1 0 "[ . 1 .]" 1
341 1 37 ASN HB3 1 38 TRP H 2.683 . 3.583 3.053 2.529 3.612 0.029 6 0 "[ . 1 .]" 1
342 1 37 ASN HB3 1 38 TRP HB2 3.097 . 4.296 4.597 4.015 5.251 0.955 6 7 "[ * **+ 1- * *]" 1
343 1 38 TRP H 1 38 TRP HA 2.610 . 3.461 2.816 2.791 2.832 . 0 0 "[ . 1 .]" 1
344 1 38 TRP H 1 38 TRP HB2 2.574 . 3.402 2.321 2.205 2.389 . 0 0 "[ . 1 .]" 1
345 1 38 TRP H 1 38 TRP HB3 2.567 . 3.390 2.819 2.709 2.951 . 0 0 "[ . 1 .]" 1
346 1 38 TRP H 1 39 ILE H 2.492 . 3.268 2.619 2.557 2.676 . 0 0 "[ . 1 .]" 1
347 1 38 TRP HA 1 38 TRP HB2 2.510 . 3.298 2.612 2.555 2.683 . 0 0 "[ . 1 .]" 1
348 1 38 TRP HA 1 38 TRP HB3 2.618 . 3.475 3.010 2.989 3.034 . 0 0 "[ . 1 .]" 1
349 1 38 TRP HA 1 41 VAL HB 3.068 . 4.244 3.269 2.609 4.264 0.020 1 0 "[ . 1 .]" 1
350 1 39 ILE H 1 39 ILE HB 2.508 . 3.294 2.328 2.126 2.449 . 0 0 "[ . 1 .]" 1
351 1 39 ILE H 1 40 ILE H 2.469 . 3.231 2.553 2.506 2.636 . 0 0 "[ . 1 .]" 1
352 1 39 ILE HA 1 39 ILE HG13 4.012 . 6.024 2.672 2.267 2.847 . 0 0 "[ . 1 .]" 1
353 1 39 ILE HA 1 39 ILE MG 2.939 . 4.019 3.122 2.778 3.212 . 0 0 "[ . 1 .]" 1
354 1 39 ILE HA 1 40 ILE H 2.770 . 3.729 3.542 3.518 3.572 . 0 0 "[ . 1 .]" 1
355 1 39 ILE HA 1 42 HIS H 2.344 . 3.031 3.056 2.771 3.179 0.148 13 0 "[ . 1 .]" 1
356 1 39 ILE HA 1 42 HIS HB2 3.609 . 5.237 3.012 2.394 4.111 . 0 0 "[ . 1 .]" 1
357 1 39 ILE HB 1 39 ILE MD 2.724 . 3.652 2.423 2.362 2.454 . 0 0 "[ . 1 .]" 1
358 1 39 ILE HB 1 40 ILE H 2.721 . 3.647 3.620 3.047 3.815 0.168 7 0 "[ . 1 .]" 1
359 1 39 ILE MD 1 39 ILE HG13 2.946 . 4.031 2.117 2.110 2.121 . 0 0 "[ . 1 .]" 1
360 1 39 ILE MD 1 39 ILE MG 3.386 . 4.819 3.248 3.241 3.254 . 0 0 "[ . 1 .]" 1
361 1 39 ILE HG13 1 39 ILE MG 2.815 . 3.805 2.363 2.320 2.477 . 0 0 "[ . 1 .]" 1
362 1 39 ILE HG13 1 42 HIS H 3.557 . 5.138 4.962 4.579 5.222 0.084 11 0 "[ . 1 .]" 1
363 1 39 ILE MG 1 40 ILE H 2.471 . 3.234 2.213 2.022 2.833 . 0 0 "[ . 1 .]" 1
364 1 39 ILE MG 1 40 ILE MG 2.705 . 3.620 2.122 1.944 2.811 . 0 0 "[ . 1 .]" 1
365 1 40 ILE H 1 40 ILE HA 2.521 . 3.316 2.842 2.818 2.850 . 0 0 "[ . 1 .]" 1
366 1 40 ILE H 1 40 ILE HB 2.711 . 3.630 3.646 3.626 3.675 0.045 7 0 "[ . 1 .]" 1
367 1 40 ILE H 1 40 ILE MD 3.121 . 4.339 3.569 3.340 3.800 . 0 0 "[ . 1 .]" 1
368 1 40 ILE H 1 40 ILE HG12 2.840 . 3.848 3.337 3.299 3.405 . 0 0 "[ . 1 .]" 1
369 1 40 ILE H 1 40 ILE HG13 2.449 . 3.199 2.068 1.871 2.291 . 0 0 "[ . 1 .]" 1
370 1 40 ILE H 1 40 ILE MG 2.751 . 3.697 2.257 2.024 2.392 . 0 0 "[ . 1 .]" 1
371 1 40 ILE H 1 41 VAL H 2.794 . 3.770 2.543 2.491 2.578 . 0 0 "[ . 1 .]" 1
372 1 40 ILE HA 1 40 ILE HB 2.697 . 3.606 2.435 2.391 2.480 . 0 0 "[ . 1 .]" 1
373 1 40 ILE HA 1 40 ILE MD 2.852 . 3.869 3.638 3.620 3.656 . 0 0 "[ . 1 .]" 1
374 1 40 ILE HA 1 40 ILE HG13 2.771 . 3.731 3.622 3.610 3.640 . 0 0 "[ . 1 .]" 1
375 1 40 ILE HA 1 40 ILE MG 2.608 . 3.458 2.353 2.305 2.390 . 0 0 "[ . 1 .]" 1
376 1 40 ILE HA 1 43 MET H 2.696 . 3.604 3.382 3.174 3.616 0.012 15 0 "[ . 1 .]" 1
377 1 40 ILE HB 1 40 ILE MD 2.385 . 3.096 2.290 2.259 2.324 . 0 0 "[ . 1 .]" 1
378 1 40 ILE HB 1 40 ILE HG12 2.815 . 3.805 2.643 2.615 2.666 . 0 0 "[ . 1 .]" 1
379 1 40 ILE HB 1 40 ILE MG 2.377 . 3.083 2.103 2.085 2.119 . 0 0 "[ . 1 .]" 1
380 1 40 ILE HB 1 41 VAL H 2.858 . 3.879 3.978 3.893 4.045 0.166 10 0 "[ . 1 .]" 1
381 1 40 ILE MD 1 41 VAL HA 2.958 . 4.052 2.848 2.724 2.964 . 0 0 "[ . 1 .]" 1
382 1 40 ILE MD 1 43 MET HG2 3.469 . 4.973 4.646 4.551 4.723 . 0 0 "[ . 1 .]" 1
383 1 40 ILE HG12 1 40 ILE MG 2.412 . 3.139 2.052 1.992 2.131 . 0 0 "[ . 1 .]" 1
384 1 40 ILE MG 1 41 VAL H 3.338 . 4.731 4.014 3.828 4.097 . 0 0 "[ . 1 .]" 1
385 1 41 VAL H 1 41 VAL HA 2.647 . 3.523 2.866 2.843 2.879 . 0 0 "[ . 1 .]" 1
386 1 41 VAL H 1 41 VAL HB 2.633 . 3.499 2.528 2.439 2.644 . 0 0 "[ . 1 .]" 1
387 1 41 VAL H 1 41 VAL MG1 2.836 . 3.842 3.348 2.137 3.791 . 0 0 "[ . 1 .]" 1
388 1 41 VAL H 1 41 VAL MG2 3.376 . 4.801 2.660 2.070 3.815 . 0 0 "[ . 1 .]" 1
389 1 41 VAL H 1 42 HIS H 2.391 . 3.106 2.513 2.428 2.678 . 0 0 "[ . 1 .]" 1
390 1 41 VAL HA 1 41 VAL HB 2.801 . 3.782 2.887 2.488 3.030 . 0 0 "[ . 1 .]" 1
391 1 41 VAL HA 1 41 VAL MG1 2.768 . 3.726 2.639 2.386 3.220 . 0 0 "[ . 1 .]" 1
392 1 41 VAL HA 1 41 VAL MG2 2.809 . 3.796 2.346 2.253 2.414 . 0 0 "[ . 1 .]" 1
393 1 41 VAL HB 1 41 VAL MG1 2.398 . 3.117 2.126 2.116 2.132 . 0 0 "[ . 1 .]" 1
394 1 41 VAL MG1 1 41 VAL MG2 2.742 . 3.682 2.081 2.078 2.093 . 0 0 "[ . 1 .]" 1
395 1 42 HIS H 1 42 HIS HA 2.756 . 3.706 2.928 2.894 2.943 . 0 0 "[ . 1 .]" 1
396 1 42 HIS H 1 42 HIS HB2 2.267 . 2.910 2.415 2.224 2.712 . 0 0 "[ . 1 .]" 1
397 1 42 HIS H 1 42 HIS HB3 2.733 . 3.667 3.347 2.617 3.669 0.002 11 0 "[ . 1 .]" 1
398 1 42 HIS HA 1 42 HIS HB2 2.931 . 4.005 2.878 2.525 3.013 . 0 0 "[ . 1 .]" 1
399 1 42 HIS HA 1 42 HIS HB3 2.646 . 3.521 2.711 2.527 3.025 . 0 0 "[ . 1 .]" 1
400 1 42 HIS HA 1 45 GLU QG 2.679 . 3.576 3.089 2.557 3.561 . 0 0 "[ . 1 .]" 1
401 1 43 MET H 1 43 MET HA 2.674 . 3.567 2.815 2.783 2.866 . 0 0 "[ . 1 .]" 1
402 1 43 MET H 1 43 MET HG3 2.675 . 3.570 2.960 2.074 3.480 . 0 0 "[ . 1 .]" 1
403 1 43 MET H 1 44 GLU H 3.277 . 4.619 2.610 2.427 2.738 . 0 0 "[ . 1 .]" 1
404 1 43 MET HA 1 44 GLU H 2.696 . 3.604 3.418 3.391 3.451 . 0 0 "[ . 1 .]" 1
405 1 43 MET HB3 1 43 MET HG2 2.880 . 3.917 2.376 2.273 2.460 . 0 0 "[ . 1 .]" 1
406 1 43 MET HB3 1 43 MET HG3 2.483 . 3.254 2.870 2.566 3.011 . 0 0 "[ . 1 .]" 1
407 1 43 MET HG3 1 44 GLU H 2.897 . 3.946 2.770 2.599 3.017 . 0 0 "[ . 1 .]" 1
408 1 44 GLU H 1 44 GLU HA 2.834 . 3.838 2.832 2.746 2.919 . 0 0 "[ . 1 .]" 1
409 1 44 GLU H 1 44 GLU HB2 2.536 . 3.340 3.472 2.745 3.659 0.319 10 0 "[ . 1 .]" 1
410 1 44 GLU H 1 44 GLU HG3 2.651 . 3.529 2.838 1.735 3.304 0.038 1 0 "[ . 1 .]" 1
411 1 44 GLU H 1 45 GLU H 2.493 . 3.270 2.656 2.528 2.810 . 0 0 "[ . 1 .]" 1
412 1 44 GLU HA 1 44 GLU HB2 2.744 . 3.686 2.572 2.431 3.006 . 0 0 "[ . 1 .]" 1
413 1 44 GLU HA 1 44 GLU HB3 2.423 . 3.157 2.383 2.337 2.459 . 0 0 "[ . 1 .]" 1
414 1 44 GLU HA 1 44 GLU HG2 3.201 . 4.482 3.577 2.686 3.819 . 0 0 "[ . 1 .]" 1
415 1 44 GLU HA 1 44 GLU HG3 3.169 . 4.424 3.716 3.283 3.827 . 0 0 "[ . 1 .]" 1
416 1 44 GLU HA 1 45 GLU H 2.934 . 4.010 3.339 3.114 3.500 . 0 0 "[ . 1 .]" 1
417 1 44 GLU HB2 1 44 GLU HG3 2.367 . 3.067 2.445 2.370 2.530 . 0 0 "[ . 1 .]" 1
418 1 44 GLU HG3 1 45 GLU H 2.784 . 3.753 3.237 2.394 3.863 0.110 4 0 "[ . 1 .]" 1
419 1 45 GLU H 1 45 GLU HA 2.907 . 3.963 2.891 2.833 2.948 . 0 0 "[ . 1 .]" 1
420 1 45 GLU H 1 45 GLU QG 2.268 . 2.911 2.317 1.630 2.887 . 0 0 "[ . 1 .]" 1
421 1 45 GLU H 1 48 PHE QB 3.450 . 4.938 3.852 2.738 4.566 . 0 0 "[ . 1 .]" 1
422 1 45 GLU QG 1 48 PHE QB 2.907 . 3.963 3.012 1.489 3.618 0.362 4 0 "[ . 1 .]" 1
423 1 46 PRO HA 1 46 PRO HB2 2.461 . 3.218 2.764 2.729 2.798 . 0 0 "[ . 1 .]" 1
424 1 46 PRO HA 1 46 PRO HB3 2.409 . 3.134 2.284 2.271 2.291 . 0 0 "[ . 1 .]" 1
425 1 46 PRO HA 1 46 PRO HD3 2.727 . 3.656 3.413 3.280 3.561 . 0 0 "[ . 1 .]" 1
426 1 46 PRO HA 1 47 ASP H 3.015 . 4.151 3.526 3.485 3.571 . 0 0 "[ . 1 .]" 1
427 1 46 PRO HB2 1 46 PRO HD3 2.849 . 3.864 3.873 3.840 3.906 0.042 1 0 "[ . 1 .]" 1
428 1 46 PRO HB2 1 47 ASP HB2 2.540 . 3.346 3.333 3.161 3.414 0.068 7 0 "[ . 1 .]" 1
429 1 46 PRO HB2 1 47 ASP HB3 2.974 . 4.079 4.185 4.148 4.218 0.139 3 0 "[ . 1 .]" 1
430 1 46 PRO HB3 1 46 PRO HD3 2.448 . 3.197 2.946 2.864 2.992 . 0 0 "[ . 1 .]" 1
431 1 46 PRO HD3 1 47 ASP H 3.148 . 4.387 3.989 3.927 4.099 . 0 0 "[ . 1 .]" 1
432 1 46 PRO HG2 1 47 ASP H 2.547 . 3.358 2.239 2.071 2.472 . 0 0 "[ . 1 .]" 1
433 1 46 PRO HG2 1 47 ASP HB2 2.703 . 3.616 3.479 3.375 3.594 . 0 0 "[ . 1 .]" 1
434 1 46 PRO HG2 1 47 ASP HB3 2.500 . 3.281 3.345 3.297 3.385 0.104 12 0 "[ . 1 .]" 1
435 1 47 ASP H 1 47 ASP HA 2.748 . 3.692 2.932 2.883 2.947 . 0 0 "[ . 1 .]" 1
436 1 47 ASP H 1 47 ASP HB2 2.900 . 3.951 2.936 2.752 3.055 . 0 0 "[ . 1 .]" 1
437 1 47 ASP H 1 47 ASP HB3 3.060 . 4.231 2.440 2.265 2.579 . 0 0 "[ . 1 .]" 1
438 1 47 ASP H 1 48 PHE H 2.801 . 3.781 2.484 2.227 2.660 . 0 0 "[ . 1 .]" 1
439 1 47 ASP HA 1 47 ASP HB2 2.570 . 3.396 2.417 2.370 2.470 . 0 0 "[ . 1 .]" 1
440 1 47 ASP HA 1 48 PHE H 3.019 . 4.158 3.063 2.924 3.412 . 0 0 "[ . 1 .]" 1
441 1 48 PHE H 1 48 PHE HA 2.788 . 3.760 2.841 2.787 2.904 . 0 0 "[ . 1 .]" 1
442 1 48 PHE H 1 48 PHE QB 2.575 . 3.404 2.338 2.191 2.472 . 0 0 "[ . 1 .]" 1
443 1 48 PHE H 1 49 ALA H 3.163 . 4.414 2.556 2.346 2.768 . 0 0 "[ . 1 .]" 1
444 1 48 PHE HA 1 48 PHE QB 2.612 . 3.465 2.307 2.175 2.514 . 0 0 "[ . 1 .]" 1
445 1 48 PHE QB 1 49 ALA H 2.946 . 4.031 3.365 2.904 3.649 . 0 0 "[ . 1 .]" 1
446 1 49 ALA H 1 49 ALA MB 2.829 . 3.830 2.495 2.210 2.728 . 0 0 "[ . 1 .]" 1
447 1 49 ALA H 1 50 GLU H 2.790 . 3.763 3.863 3.196 4.193 0.430 13 0 "[ . 1 .]" 1
448 1 49 ALA HA 1 49 ALA MB 2.169 . 2.757 2.133 2.124 2.142 . 0 0 "[ . 1 .]" 1
449 1 49 ALA HA 1 50 GLU H 2.488 . 3.262 2.513 2.092 3.416 0.154 5 0 "[ . 1 .]" 1
450 1 49 ALA MB 1 50 GLU H 2.829 . 3.830 2.746 1.693 3.562 0.135 12 0 "[ . 1 .]" 1
451 1 50 GLU H 1 50 GLU HB3 2.978 . 4.086 3.644 3.554 3.824 . 0 0 "[ . 1 .]" 1
452 1 50 GLU H 1 50 GLU HG2 2.772 . 3.732 3.496 2.116 4.248 0.516 5 1 "[ + 1 .]" 1
453 1 50 GLU HA 1 50 GLU HB3 2.199 . 2.803 2.473 2.397 2.521 . 0 0 "[ . 1 .]" 1
454 1 50 GLU HA 1 50 GLU HG2 2.349 . 3.039 2.693 2.385 3.534 0.495 3 0 "[ . 1 .]" 1
455 1 50 GLU HA 1 50 GLU HG3 2.605 . 3.453 3.056 2.321 3.659 0.206 7 0 "[ . 1 .]" 1
456 1 50 GLU HA 1 51 PRO HG3 3.133 . 4.360 4.070 3.786 4.560 0.200 12 0 "[ . 1 .]" 1
457 1 51 PRO HA 1 51 PRO HB2 2.402 . 3.123 2.857 2.665 2.994 . 0 0 "[ . 1 .]" 1
458 1 51 PRO HA 1 51 PRO HB3 2.459 . 3.215 2.276 2.250 2.320 . 0 0 "[ . 1 .]" 1
459 1 51 PRO HA 1 52 LEU H 2.323 . 2.997 2.557 2.133 3.124 0.127 1 0 "[ . 1 .]" 1
460 1 51 PRO HB2 1 52 LEU H 3.234 . 4.541 4.224 3.745 4.322 . 0 0 "[ . 1 .]" 1
461 1 51 PRO HB3 1 52 LEU H 3.053 . 4.218 4.401 3.172 4.627 0.409 10 0 "[ . 1 .]" 1
462 1 51 PRO HD3 1 51 PRO HG3 2.133 . 2.702 2.303 2.258 2.325 . 0 0 "[ . 1 .]" 1
463 1 52 LEU H 1 52 LEU HA 2.893 . 3.939 2.907 2.711 2.947 . 0 0 "[ . 1 .]" 1
464 1 52 LEU H 1 52 LEU HB2 2.565 . 3.388 2.779 2.364 3.230 . 0 0 "[ . 1 .]" 1
465 1 52 LEU H 1 52 LEU HB3 2.714 . 3.635 3.083 2.513 3.748 0.113 14 0 "[ . 1 .]" 1
466 1 52 LEU HA 1 52 LEU HB2 2.627 . 3.489 2.702 2.450 3.020 . 0 0 "[ . 1 .]" 1
467 1 52 LEU HA 1 52 LEU MD1 2.880 . 3.917 2.615 1.847 3.870 . 0 0 "[ . 1 .]" 1
468 1 52 LEU HA 1 52 LEU HG 2.974 . 4.079 3.119 2.399 3.697 . 0 0 "[ . 1 .]" 1
469 1 52 LEU HA 1 53 THR H 2.284 . 2.936 2.387 2.115 2.918 . 0 0 "[ . 1 .]" 1
470 1 52 LEU HB2 1 52 LEU MD2 2.903 . 3.957 2.658 2.316 3.204 . 0 0 "[ . 1 .]" 1
471 1 52 LEU HB3 1 52 LEU MD1 3.147 . 4.385 2.832 2.343 3.206 . 0 0 "[ . 1 .]" 1
472 1 52 LEU HB3 1 52 LEU MD2 2.883 . 3.922 2.437 2.261 3.197 . 0 0 "[ . 1 .]" 1
473 1 52 LEU MD1 1 52 LEU HG 2.272 . 2.917 2.125 2.118 2.127 . 0 0 "[ . 1 .]" 1
474 1 53 THR HA 1 53 THR MG 2.747 . 3.690 2.497 2.273 3.224 . 0 0 "[ . 1 .]" 1
475 1 53 THR HA 1 54 MET H 2.339 . 3.023 2.294 2.143 2.629 . 0 0 "[ . 1 .]" 1
476 1 53 THR HB 1 53 THR MG 2.459 . 3.215 2.134 2.122 2.139 . 0 0 "[ . 1 .]" 1
477 1 54 MET HA 1 54 MET HB2 2.917 . 3.981 2.650 2.433 3.028 . 0 0 "[ . 1 .]" 1
478 1 54 MET HA 1 54 MET HB3 2.296 . 2.955 2.560 2.398 3.027 0.072 3 0 "[ . 1 .]" 1
479 1 54 MET HA 1 54 MET HG3 3.145 . 4.382 3.358 2.455 4.263 . 0 0 "[ . 1 .]" 1
480 1 54 MET HA 1 55 PRO HD2 2.563 . 3.384 2.600 2.252 2.828 . 0 0 "[ . 1 .]" 1
481 1 54 MET HA 1 55 PRO HD3 2.735 . 3.670 1.867 1.713 2.094 0.087 5 0 "[ . 1 .]" 1
482 1 54 MET HB2 1 54 MET HG3 2.615 . 3.470 2.561 2.349 3.012 . 0 0 "[ . 1 .]" 1
483 1 55 PRO HA 1 55 PRO HB3 2.472 . 3.236 2.282 2.258 2.333 . 0 0 "[ . 1 .]" 1
484 1 55 PRO HA 1 55 PRO HD2 3.048 . 4.209 3.934 3.874 4.075 . 0 0 "[ . 1 .]" 1
485 1 55 PRO HA 1 55 PRO HD3 2.939 . 4.019 3.917 3.790 4.015 . 0 0 "[ . 1 .]" 1
486 1 55 PRO HA 1 56 GLY H 3.049 . 4.211 2.893 2.150 3.591 . 0 0 "[ . 1 .]" 1
487 1 55 PRO HD3 1 55 PRO HG3 2.037 . 2.556 2.306 2.263 2.334 . 0 0 "[ . 1 .]" 1
488 1 57 TYR HA 1 57 TYR HB2 2.733 . 3.667 2.514 2.397 2.581 . 0 0 "[ . 1 .]" 1
489 1 59 GLY H 1 59 GLY HA2 2.788 . 3.760 2.738 2.316 2.960 . 0 0 "[ . 1 .]" 1
490 1 60 ALA MB 1 61 ALA H 2.337 . 3.020 2.354 1.808 2.913 . 0 0 "[ . 1 .]" 1
491 1 61 ALA H 1 61 ALA HA 2.732 . 3.665 2.788 2.252 2.943 . 0 0 "[ . 1 .]" 1
492 1 61 ALA H 1 61 ALA MB 2.876 . 3.910 2.549 2.256 2.889 . 0 0 "[ . 1 .]" 1
493 1 65 ALA HA 1 65 ALA MB 2.135 . 2.705 2.129 2.112 2.139 . 0 0 "[ . 1 .]" 1
494 1 67 VAL HA 1 67 VAL HB 2.716 . 3.638 2.687 2.393 3.030 . 0 0 "[ . 1 .]" 1
495 1 67 VAL HA 1 67 VAL MG1 3.554 . 5.133 2.641 2.294 3.223 . 0 0 "[ . 1 .]" 1
496 1 67 VAL HB 1 67 VAL MG1 2.363 . 3.061 2.127 2.122 2.131 . 0 0 "[ . 1 .]" 1
497 1 68 PHE H 1 68 PHE HB3 2.549 . 3.361 3.204 2.678 3.752 0.391 6 0 "[ . 1 .]" 1
498 1 68 PHE HA 1 68 PHE HB3 2.139 . 2.711 2.687 2.346 3.032 0.321 10 0 "[ . 1 .]" 1
499 1 70 ALA H 1 70 ALA MB 3.184 . 4.451 2.388 2.236 2.867 . 0 0 "[ . 1 .]" 1
500 1 70 ALA HA 1 70 ALA MB 2.359 . 3.054 2.130 2.123 2.135 . 0 0 "[ . 1 .]" 1
501 1 70 ALA MB 1 73 LEU QD 1.858 . 2.289 1.986 1.531 2.217 . 0 0 "[ . 1 .]" 1
502 1 71 SER HA 1 71 SER HB3 2.168 . 2.756 2.487 2.333 3.027 0.271 15 0 "[ . 1 .]" 1
503 1 72 GLY HA2 1 73 LEU H 2.581 . 3.414 2.843 2.132 3.563 0.149 12 0 "[ . 1 .]" 1
504 1 73 LEU H 1 73 LEU HB3 2.658 . 3.541 3.535 2.626 4.113 0.572 15 3 "[ -. *1 +]" 1
505 1 73 LEU HA 1 73 LEU HB3 2.308 . 2.974 2.759 2.591 2.999 0.025 13 0 "[ . 1 .]" 1
506 1 73 LEU HA 1 73 LEU QD 2.642 . 3.515 1.932 1.816 2.987 . 0 0 "[ . 1 .]" 1
507 1 73 LEU HA 1 74 ASP H 2.754 . 3.702 2.889 2.145 3.556 . 0 0 "[ . 1 .]" 1
508 1 73 LEU HB3 1 73 LEU QD 2.846 . 3.859 2.297 2.091 2.346 . 0 0 "[ . 1 .]" 1
509 1 73 LEU HB3 1 74 ASP H 3.201 . 4.482 3.754 1.526 4.358 0.394 11 0 "[ . 1 .]" 1
510 1 73 LEU QD 1 73 LEU HG 1.983 . 2.474 1.891 1.880 1.897 . 0 0 "[ . 1 .]" 1
511 1 74 ASP H 1 74 ASP HA 2.783 . 3.751 2.806 2.262 2.936 . 0 0 "[ . 1 .]" 1
512 1 74 ASP H 1 74 ASP HB2 2.721 . 3.647 3.011 2.421 3.932 0.285 14 0 "[ . 1 .]" 1
513 1 74 ASP H 1 74 ASP HB3 3.126 . 4.347 3.239 2.408 3.803 . 0 0 "[ . 1 .]" 1
514 1 74 ASP HA 1 74 ASP HB2 2.509 . 3.296 2.655 2.349 3.032 . 0 0 "[ . 1 .]" 1
515 1 74 ASP HA 1 74 ASP HB3 2.435 . 3.176 2.794 2.440 3.032 . 0 0 "[ . 1 .]" 1
516 1 74 ASP HA 1 75 ASN H 1.839 . 2.262 2.225 2.085 2.384 0.122 1 0 "[ . 1 .]" 1
517 1 75 ASN H 1 75 ASN HA 2.504 . 3.288 2.916 2.832 2.944 . 0 0 "[ . 1 .]" 1
518 1 75 ASN H 1 75 ASN HB2 2.858 . 3.879 3.577 2.655 4.031 0.152 14 0 "[ . 1 .]" 1
519 1 75 ASN H 1 75 ASN HB3 3.373 . 4.796 3.163 2.539 3.766 . 0 0 "[ . 1 .]" 1
520 1 75 ASN H 1 76 GLN HA 3.088 . 4.280 4.347 4.146 4.484 0.204 10 0 "[ . 1 .]" 1
521 1 75 ASN HA 1 75 ASN HB2 2.505 . 3.290 2.514 2.364 3.019 . 0 0 "[ . 1 .]" 1
522 1 75 ASN HA 1 75 ASN HB3 2.424 . 3.159 2.619 2.412 3.039 . 0 0 "[ . 1 .]" 1
523 1 75 ASN HA 1 76 GLN H 2.220 . 2.836 2.626 2.156 3.017 0.181 3 0 "[ . 1 .]" 1
524 1 76 GLN H 1 76 GLN HA 2.647 . 3.523 2.878 2.800 2.942 . 0 0 "[ . 1 .]" 1
525 1 76 GLN H 1 76 GLN HB2 2.720 . 3.644 2.638 2.334 3.174 . 0 0 "[ . 1 .]" 1
526 1 76 GLN H 1 76 GLN HB3 2.622 . 3.481 2.623 2.508 2.904 . 0 0 "[ . 1 .]" 1
527 1 76 GLN H 1 76 GLN HG2 3.175 . 4.435 4.462 4.407 4.525 0.090 14 0 "[ . 1 .]" 1
528 1 76 GLN HA 1 76 GLN HB2 2.240 . 2.867 2.520 2.490 2.581 . 0 0 "[ . 1 .]" 1
529 1 76 GLN HA 1 76 GLN HB3 2.478 . 3.246 3.023 3.013 3.032 . 0 0 "[ . 1 .]" 1
530 1 76 GLN HA 1 76 GLN HG2 2.490 . 3.265 2.858 2.742 3.062 . 0 0 "[ . 1 .]" 1
531 1 76 GLN HA 1 77 PRO HD2 2.102 . 2.654 2.505 2.384 2.630 . 0 0 "[ . 1 .]" 1
532 1 76 GLN HA 1 77 PRO HD3 2.210 . 2.821 2.001 1.838 2.080 . 0 0 "[ . 1 .]" 1
533 1 76 GLN HA 1 96 ILE MG 3.182 . 4.447 3.765 3.472 4.045 . 0 0 "[ . 1 .]" 1
534 1 76 GLN HB2 1 76 GLN HG2 2.447 . 3.196 2.998 2.974 3.010 . 0 0 "[ . 1 .]" 1
535 1 76 GLN HB3 1 76 GLN HG2 2.020 . 2.530 2.527 2.427 2.612 0.082 13 0 "[ . 1 .]" 1
536 1 76 GLN HG2 1 77 PRO HB2 2.776 . 3.739 3.669 3.525 3.815 0.076 8 0 "[ . 1 .]" 1
537 1 76 GLN HG2 1 77 PRO HD2 1.937 . 2.406 2.177 2.032 2.367 . 0 0 "[ . 1 .]" 1
538 1 76 GLN HG2 1 77 PRO HD3 2.817 . 3.809 3.473 3.240 3.744 . 0 0 "[ . 1 .]" 1
539 1 76 GLN HG2 1 96 ILE MG 3.188 . 4.458 3.953 3.785 4.073 . 0 0 "[ . 1 .]" 1
540 1 77 PRO HA 1 77 PRO HB3 2.323 . 2.998 2.308 2.295 2.318 . 0 0 "[ . 1 .]" 1
541 1 77 PRO HA 1 77 PRO HG2 3.039 . 4.193 3.885 3.858 3.923 . 0 0 "[ . 1 .]" 1
542 1 77 PRO HA 1 78 PRO HD2 2.155 . 2.736 2.462 2.383 2.524 . 0 0 "[ . 1 .]" 1
543 1 77 PRO HA 1 78 PRO HD3 2.241 . 2.869 2.473 2.355 2.549 . 0 0 "[ . 1 .]" 1
544 1 77 PRO HA 1 78 PRO HG3 3.333 . 4.722 4.606 4.499 4.677 . 0 0 "[ . 1 .]" 1
545 1 77 PRO HA 1 96 ILE MG 3.615 . 5.249 4.988 4.959 5.020 . 0 0 "[ . 1 .]" 1
546 1 77 PRO HA 1 99 LEU HB2 4.557 . 7.152 3.982 3.783 4.156 . 0 0 "[ . 1 .]" 1
547 1 77 PRO HA 1 99 LEU MD1 3.282 . 4.629 3.625 3.492 3.735 . 0 0 "[ . 1 .]" 1
548 1 77 PRO HA 1 104 ASN QB 3.699 . 5.409 3.578 3.018 4.407 . 0 0 "[ . 1 .]" 1
549 1 77 PRO HB2 1 77 PRO HD2 2.709 . 3.627 2.874 2.775 2.928 . 0 0 "[ . 1 .]" 1
550 1 77 PRO HB2 1 77 PRO HD3 2.796 . 3.773 3.814 3.785 3.829 0.056 10 0 "[ . 1 .]" 1
551 1 77 PRO HB2 1 78 PRO HD2 2.759 . 3.710 3.037 2.965 3.146 . 0 0 "[ . 1 .]" 1
552 1 77 PRO HB2 1 78 PRO HD3 3.094 . 4.290 4.326 4.290 4.383 0.093 15 0 "[ . 1 .]" 1
553 1 77 PRO HB2 1 96 ILE HG12 2.646 . 3.521 3.464 3.361 3.526 0.005 9 0 "[ . 1 .]" 1
554 1 77 PRO HB2 1 96 ILE MG 2.864 . 3.890 3.724 3.707 3.745 . 0 0 "[ . 1 .]" 1
555 1 77 PRO HB2 1 99 LEU MD1 2.228 . 2.848 2.242 2.134 2.410 . 0 0 "[ . 1 .]" 1
556 1 77 PRO HB3 1 77 PRO HD2 3.078 . 4.262 3.869 3.818 3.903 . 0 0 "[ . 1 .]" 1
557 1 77 PRO HB3 1 77 PRO HD3 2.982 . 4.093 4.051 4.034 4.077 . 0 0 "[ . 1 .]" 1
558 1 77 PRO HB3 1 78 PRO HD2 2.509 . 3.296 2.025 1.922 2.107 . 0 0 "[ . 1 .]" 1
559 1 77 PRO HB3 1 78 PRO HD3 2.796 . 3.773 3.433 3.350 3.502 . 0 0 "[ . 1 .]" 1
560 1 77 PRO HB3 1 96 ILE HA 3.412 . 4.867 3.166 3.003 3.272 . 0 0 "[ . 1 .]" 1
561 1 77 PRO HB3 1 96 ILE MG 3.208 . 4.495 4.212 4.176 4.265 . 0 0 "[ . 1 .]" 1
562 1 77 PRO HB3 1 99 LEU HB2 2.602 . 3.448 1.930 1.758 2.091 . 0 0 "[ . 1 .]" 1
563 1 77 PRO HB3 1 99 LEU MD1 2.697 . 3.606 1.980 1.873 2.043 . 0 0 "[ . 1 .]" 1
564 1 77 PRO HB3 1 99 LEU MD2 3.272 . 4.610 3.775 3.680 3.829 . 0 0 "[ . 1 .]" 1
565 1 77 PRO HD2 1 77 PRO HG2 1.862 . 2.295 2.311 2.297 2.322 0.027 8 0 "[ . 1 .]" 1
566 1 77 PRO HD2 1 77 PRO HG3 2.486 . 3.259 2.988 2.978 2.998 . 0 0 "[ . 1 .]" 1
567 1 77 PRO HD2 1 96 ILE HG13 2.499 . 3.280 3.104 3.022 3.197 . 0 0 "[ . 1 .]" 1
568 1 77 PRO HD2 1 96 ILE MG 2.768 . 3.726 2.327 2.173 2.445 . 0 0 "[ . 1 .]" 1
569 1 77 PRO HD2 1 100 ARG HG3 3.211 . 4.500 4.136 3.933 4.302 . 0 0 "[ . 1 .]" 1
570 1 77 PRO HD3 1 77 PRO HG2 2.303 . 2.966 2.683 2.652 2.706 . 0 0 "[ . 1 .]" 1
571 1 77 PRO HD3 1 77 PRO HG3 2.029 . 2.543 2.314 2.304 2.329 . 0 0 "[ . 1 .]" 1
572 1 77 PRO HD3 1 96 ILE HG13 3.229 . 4.532 4.602 4.570 4.636 0.104 11 0 "[ . 1 .]" 1
573 1 77 PRO HD3 1 96 ILE MG 2.485 . 3.257 2.563 2.394 2.706 . 0 0 "[ . 1 .]" 1
574 1 77 PRO HG2 1 96 ILE H 3.144 . 4.379 4.347 4.296 4.384 0.005 11 0 "[ . 1 .]" 1
575 1 77 PRO HG2 1 96 ILE MG 2.907 . 3.963 1.817 1.769 1.898 0.082 15 0 "[ . 1 .]" 1
576 1 77 PRO HG2 1 99 LEU MD1 2.807 . 3.792 3.341 3.283 3.453 . 0 0 "[ . 1 .]" 1
577 1 77 PRO HG3 1 82 VAL MG1 3.422 . 4.885 4.304 4.274 4.335 . 0 0 "[ . 1 .]" 1
578 1 77 PRO HG3 1 96 ILE HA 2.499 . 3.280 3.259 3.174 3.296 0.016 1 0 "[ . 1 .]" 1
579 1 77 PRO HG3 1 96 ILE MG 2.320 . 2.993 2.855 2.757 2.935 . 0 0 "[ . 1 .]" 1
580 1 77 PRO HG3 1 99 LEU HB2 2.231 . 2.853 2.719 2.551 2.823 . 0 0 "[ . 1 .]" 1
581 1 77 PRO HG3 1 99 LEU MD1 2.880 . 3.917 3.747 3.689 3.776 . 0 0 "[ . 1 .]" 1
582 1 77 PRO HG3 1 100 ARG H 2.760 . 3.712 3.174 2.944 3.341 . 0 0 "[ . 1 .]" 1
583 1 78 PRO HA 1 78 PRO HB3 2.212 . 2.824 2.300 2.289 2.309 . 0 0 "[ . 1 .]" 1
584 1 78 PRO HA 1 78 PRO HD2 3.138 . 4.369 4.087 4.078 4.095 . 0 0 "[ . 1 .]" 1
585 1 78 PRO HA 1 78 PRO HD3 2.834 . 3.838 3.514 3.472 3.550 . 0 0 "[ . 1 .]" 1
586 1 78 PRO HA 1 78 PRO HG2 2.776 . 3.739 3.820 3.815 3.827 0.088 10 0 "[ . 1 .]" 1
587 1 78 PRO HA 1 78 PRO HG3 3.078 . 4.262 4.029 4.011 4.044 . 0 0 "[ . 1 .]" 1
588 1 78 PRO HA 1 79 GLU H 2.224 . 2.842 2.147 2.113 2.165 . 0 0 "[ . 1 .]" 1
589 1 78 PRO HA 1 79 GLU QG 2.852 . 3.869 3.766 3.455 3.871 0.002 14 0 "[ . 1 .]" 1
590 1 78 PRO HA 1 80 GLU H 3.169 . 4.424 3.572 3.467 3.730 . 0 0 "[ . 1 .]" 1
591 1 78 PRO HB2 1 78 PRO HD2 3.078 . 4.262 4.051 4.036 4.062 . 0 0 "[ . 1 .]" 1
592 1 78 PRO HB2 1 78 PRO HD3 2.914 . 3.975 3.871 3.860 3.885 . 0 0 "[ . 1 .]" 1
593 1 78 PRO HB2 1 78 PRO HG2 1.881 . 2.323 2.319 2.307 2.328 0.005 13 0 "[ . 1 .]" 1
594 1 78 PRO HB2 1 79 GLU H 3.093 . 4.289 3.859 3.808 3.914 . 0 0 "[ . 1 .]" 1
595 1 78 PRO HB2 1 81 ILE H 3.097 . 4.296 2.302 2.210 2.483 . 0 0 "[ . 1 .]" 1
596 1 78 PRO HB2 1 81 ILE MD 2.651 . 3.529 3.207 3.002 3.295 . 0 0 "[ . 1 .]" 1
597 1 78 PRO HB2 1 81 ILE HG12 3.209 . 4.496 4.425 4.287 4.517 0.021 7 0 "[ . 1 .]" 1
598 1 78 PRO HB2 1 81 ILE HG13 2.768 . 3.726 2.744 2.638 2.839 . 0 0 "[ . 1 .]" 1
599 1 78 PRO HB3 1 78 PRO HD2 2.823 . 3.819 3.844 3.835 3.855 0.036 10 0 "[ . 1 .]" 1
600 1 78 PRO HB3 1 78 PRO HD3 2.484 . 3.255 2.903 2.875 2.925 . 0 0 "[ . 1 .]" 1
601 1 78 PRO HB3 1 78 PRO HG3 1.905 . 2.359 2.338 2.326 2.346 . 0 0 "[ . 1 .]" 1
602 1 78 PRO HB3 1 79 GLU H 3.284 . 4.632 4.205 4.143 4.257 . 0 0 "[ . 1 .]" 1
603 1 78 PRO HB3 1 81 ILE H 3.099 . 4.299 4.062 3.971 4.239 . 0 0 "[ . 1 .]" 1
604 1 78 PRO HB3 1 81 ILE MD 3.012 . 4.146 3.641 3.468 3.735 . 0 0 "[ . 1 .]" 1
605 1 78 PRO HD2 1 78 PRO HG2 1.921 . 2.382 2.297 2.289 2.302 . 0 0 "[ . 1 .]" 1
606 1 78 PRO HD2 1 81 ILE MD 2.832 . 3.834 3.764 3.748 3.783 . 0 0 "[ . 1 .]" 1
607 1 78 PRO HD2 1 99 LEU HB2 2.763 . 3.717 3.357 3.266 3.479 . 0 0 "[ . 1 .]" 1
608 1 78 PRO HD2 1 99 LEU MD1 2.935 . 4.012 1.784 1.659 1.859 0.199 2 0 "[ . 1 .]" 1
609 1 78 PRO HD2 1 104 ASN QB 2.826 . 3.824 2.887 2.662 3.404 . 0 0 "[ . 1 .]" 1
610 1 78 PRO HD3 1 78 PRO HG2 2.259 . 2.897 2.976 2.972 2.978 0.081 13 0 "[ . 1 .]" 1
611 1 78 PRO HD3 1 81 ILE HB 3.316 . 4.690 4.645 4.599 4.680 . 0 0 "[ . 1 .]" 1
612 1 78 PRO HD3 1 81 ILE MD 3.053 . 4.218 4.014 3.986 4.036 . 0 0 "[ . 1 .]" 1
613 1 78 PRO HD3 1 99 LEU MD1 3.261 . 4.590 3.315 3.221 3.364 . 0 0 "[ . 1 .]" 1
614 1 78 PRO HD3 1 104 ASN QB 2.900 . 3.951 2.069 1.808 2.527 0.041 13 0 "[ . 1 .]" 1
615 1 78 PRO HG2 1 81 ILE H 3.100 . 4.301 3.098 2.996 3.448 . 0 0 "[ . 1 .]" 1
616 1 78 PRO HG2 1 81 ILE MD 2.206 . 2.815 2.268 2.176 2.318 . 0 0 "[ . 1 .]" 1
617 1 78 PRO HG2 1 81 ILE HG12 3.053 . 4.218 4.199 4.166 4.232 0.014 7 0 "[ . 1 .]" 1
618 1 78 PRO HG2 1 81 ILE HG13 2.738 . 3.675 3.182 3.106 3.285 . 0 0 "[ . 1 .]" 1
619 1 78 PRO HG2 1 82 VAL H 3.187 . 4.456 3.484 3.441 3.533 . 0 0 "[ . 1 .]" 1
620 1 78 PRO HG3 1 81 ILE HB 2.406 . 3.130 3.128 3.104 3.158 0.028 12 0 "[ . 1 .]" 1
621 1 78 PRO HG3 1 81 ILE MD 2.707 . 3.623 2.043 1.993 2.076 . 0 0 "[ . 1 .]" 1
622 1 78 PRO HG3 1 99 LEU MD2 3.118 . 4.333 3.557 3.375 3.692 . 0 0 "[ . 1 .]" 1
623 1 79 GLU H 1 79 GLU HA 2.705 . 3.620 2.774 2.752 2.784 . 0 0 "[ . 1 .]" 1
624 1 79 GLU H 1 79 GLU HB3 2.650 . 3.528 2.503 2.422 2.847 . 0 0 "[ . 1 .]" 1
625 1 79 GLU H 1 79 GLU QG 2.567 . 3.391 2.167 1.910 2.284 . 0 0 "[ . 1 .]" 1
626 1 79 GLU H 1 80 GLU H 3.144 . 4.379 2.699 2.642 2.771 . 0 0 "[ . 1 .]" 1
627 1 79 GLU H 1 82 VAL MG1 3.176 . 4.437 4.037 3.911 4.106 . 0 0 "[ . 1 .]" 1
628 1 79 GLU H 1 82 VAL MG2 3.440 . 4.919 3.907 3.820 4.013 . 0 0 "[ . 1 .]" 1
629 1 79 GLU HA 1 79 GLU HB3 1.927 . 2.391 2.440 2.273 2.489 0.098 3 0 "[ . 1 .]" 1
630 1 79 GLU HA 1 79 GLU QG 2.722 . 3.648 3.332 3.272 3.437 . 0 0 "[ . 1 .]" 1
631 1 79 GLU HA 1 80 GLU H 2.716 . 3.638 3.479 3.451 3.515 . 0 0 "[ . 1 .]" 1
632 1 79 GLU HA 1 81 ILE H 3.215 . 4.507 4.305 4.251 4.370 . 0 0 "[ . 1 .]" 1
633 1 79 GLU HA 1 82 VAL H 2.749 . 3.694 3.299 3.234 3.345 . 0 0 "[ . 1 .]" 1
634 1 79 GLU HA 1 82 VAL HA 3.557 . 5.138 5.163 5.113 5.206 0.068 12 0 "[ . 1 .]" 1
635 1 79 GLU HA 1 82 VAL HB 3.048 . 4.209 4.237 4.197 4.281 0.072 12 0 "[ . 1 .]" 1
636 1 79 GLU HA 1 82 VAL MG1 2.479 . 3.247 2.774 2.632 2.866 . 0 0 "[ . 1 .]" 1
637 1 79 GLU HA 1 82 VAL MG2 2.653 . 3.533 1.532 1.440 1.641 0.333 4 0 "[ . 1 .]" 1
638 1 79 GLU HA 1 83 ALA H 2.954 . 4.045 3.624 3.548 3.709 . 0 0 "[ . 1 .]" 1
639 1 79 GLU HA 1 83 ALA MB 3.467 . 4.969 4.285 4.206 4.350 . 0 0 "[ . 1 .]" 1
640 1 79 GLU HA 1 96 ILE MD 3.451 . 4.940 4.596 4.436 4.683 . 0 0 "[ . 1 .]" 1
641 1 79 GLU HB3 1 79 GLU QG 2.268 . 2.911 2.373 2.136 2.463 . 0 0 "[ . 1 .]" 1
642 1 79 GLU HB3 1 80 GLU H 3.078 . 4.262 4.031 3.901 4.238 . 0 0 "[ . 1 .]" 1
643 1 79 GLU HB3 1 82 VAL H 3.684 . 5.381 5.625 5.484 5.673 0.292 3 0 "[ . 1 .]" 1
644 1 79 GLU QG 1 80 GLU HA 3.121 . 4.339 3.542 3.170 4.230 . 0 0 "[ . 1 .]" 1
645 1 80 GLU H 1 80 GLU HA 2.919 . 3.984 2.787 2.765 2.849 . 0 0 "[ . 1 .]" 1
646 1 80 GLU H 1 80 GLU HB3 2.432 . 3.171 2.158 2.123 2.332 . 0 0 "[ . 1 .]" 1
647 1 80 GLU H 1 80 GLU QG 2.952 . 4.041 3.760 3.262 3.815 . 0 0 "[ . 1 .]" 1
648 1 80 GLU H 1 81 ILE H 3.056 . 4.224 2.739 2.439 2.802 . 0 0 "[ . 1 .]" 1
649 1 80 GLU HA 1 80 GLU HB3 2.268 . 2.911 2.941 2.589 2.979 0.068 7 0 "[ . 1 .]" 1
650 1 80 GLU HA 1 80 GLU QG 2.637 . 3.506 2.856 2.735 3.370 . 0 0 "[ . 1 .]" 1
651 1 80 GLU HA 1 81 ILE H 3.102 . 4.305 3.538 3.482 3.551 . 0 0 "[ . 1 .]" 1
652 1 80 GLU HA 1 83 ALA H 3.081 . 4.267 3.977 3.750 4.041 . 0 0 "[ . 1 .]" 1
653 1 80 GLU HA 1 83 ALA MB 2.181 . 2.775 2.747 2.509 2.829 0.054 7 0 "[ . 1 .]" 1
654 1 80 GLU HB3 1 81 ILE H 2.458 . 3.213 2.702 2.521 3.540 0.327 12 0 "[ . 1 .]" 1
655 1 80 GLU QG 1 81 ILE H 3.095 . 4.292 2.640 2.109 2.746 . 0 0 "[ . 1 .]" 1
656 1 80 GLU QG 1 81 ILE HA 2.744 . 3.686 2.882 2.783 2.969 . 0 0 "[ . 1 .]" 1
657 1 80 GLU QG 1 81 ILE MD 3.430 . 4.901 3.855 3.724 3.908 . 0 0 "[ . 1 .]" 1
658 1 80 GLU QG 1 81 ILE HG12 2.958 . 4.052 3.079 3.016 3.135 . 0 0 "[ . 1 .]" 1
659 1 80 GLU QG 1 81 ILE HG13 2.509 . 3.296 2.367 2.210 2.432 . 0 0 "[ . 1 .]" 1
660 1 80 GLU QG 1 81 ILE MG 3.592 . 5.205 4.328 4.270 4.403 . 0 0 "[ . 1 .]" 1
661 1 80 GLU QG 1 84 ILE H 3.380 . 4.808 4.400 4.251 4.677 . 0 0 "[ . 1 .]" 1
662 1 80 GLU QG 1 84 ILE MD 2.483 . 3.254 2.122 2.039 2.403 . 0 0 "[ . 1 .]" 1
663 1 80 GLU QG 1 106 LEU MD1 3.058 . 4.227 3.759 3.670 3.856 . 0 0 "[ . 1 .]" 1
664 1 81 ILE H 1 81 ILE HA 2.573 . 3.401 2.851 2.843 2.858 . 0 0 "[ . 1 .]" 1
665 1 81 ILE H 1 81 ILE HB 2.400 . 3.120 2.412 2.388 2.476 . 0 0 "[ . 1 .]" 1
666 1 81 ILE H 1 81 ILE MD 3.143 . 4.378 3.724 3.667 3.791 . 0 0 "[ . 1 .]" 1
667 1 81 ILE H 1 81 ILE HG12 2.874 . 3.906 3.663 3.635 3.689 . 0 0 "[ . 1 .]" 1
668 1 81 ILE H 1 81 ILE HG13 2.627 . 3.489 2.447 2.395 2.481 . 0 0 "[ . 1 .]" 1
669 1 81 ILE H 1 81 ILE MG 3.253 . 4.576 3.731 3.717 3.768 . 0 0 "[ . 1 .]" 1
670 1 81 ILE H 1 82 VAL H 2.340 . 3.025 2.582 2.538 2.705 . 0 0 "[ . 1 .]" 1
671 1 81 ILE H 1 82 VAL MG1 3.115 . 4.328 3.879 3.812 4.030 . 0 0 "[ . 1 .]" 1
672 1 81 ILE H 1 83 ALA H 3.168 . 4.423 3.929 3.898 3.960 . 0 0 "[ . 1 .]" 1
673 1 81 ILE H 1 84 ILE MD 2.730 . 3.662 3.549 3.432 3.576 . 0 0 "[ . 1 .]" 1
674 1 81 ILE HA 1 81 ILE HB 2.681 . 3.579 3.006 3.001 3.013 . 0 0 "[ . 1 .]" 1
675 1 81 ILE HA 1 81 ILE MD 3.222 . 4.520 3.773 3.758 3.789 . 0 0 "[ . 1 .]" 1
676 1 81 ILE HA 1 81 ILE HG12 2.582 . 3.415 2.433 2.416 2.447 . 0 0 "[ . 1 .]" 1
677 1 81 ILE HA 1 81 ILE HG13 2.861 . 3.884 2.890 2.854 2.931 . 0 0 "[ . 1 .]" 1
678 1 81 ILE HA 1 81 ILE MG 2.476 . 3.242 2.375 2.347 2.391 . 0 0 "[ . 1 .]" 1
679 1 81 ILE HA 1 82 VAL H 2.880 . 3.917 3.566 3.558 3.578 . 0 0 "[ . 1 .]" 1
680 1 81 ILE HA 1 82 VAL MG1 3.705 . 5.420 5.009 4.988 5.023 . 0 0 "[ . 1 .]" 1
681 1 81 ILE HA 1 83 ALA MB 3.178 . 4.440 4.238 4.221 4.282 . 0 0 "[ . 1 .]" 1
682 1 81 ILE HA 1 84 ILE H 2.481 . 3.250 2.926 2.890 2.942 . 0 0 "[ . 1 .]" 1
683 1 81 ILE HA 1 84 ILE HB 2.560 . 3.379 2.377 2.334 2.423 . 0 0 "[ . 1 .]" 1
684 1 81 ILE HA 1 84 ILE MD 2.505 . 3.290 1.673 1.661 1.691 0.059 14 0 "[ . 1 .]" 1
685 1 81 ILE HA 1 84 ILE HG12 3.043 . 4.201 4.214 4.193 4.229 0.028 10 0 "[ . 1 .]" 1
686 1 81 ILE HA 1 84 ILE HG13 2.744 . 3.686 3.295 3.265 3.333 . 0 0 "[ . 1 .]" 1
687 1 81 ILE HA 1 106 LEU MD1 3.335 . 4.725 2.730 2.625 2.784 . 0 0 "[ . 1 .]" 1
688 1 81 ILE HB 1 81 ILE MD 2.117 . 2.677 2.331 2.309 2.354 . 0 0 "[ . 1 .]" 1
689 1 81 ILE HB 1 81 ILE HG12 2.564 . 3.386 3.024 3.020 3.029 . 0 0 "[ . 1 .]" 1
690 1 81 ILE HB 1 81 ILE MG 2.348 . 3.037 2.106 2.101 2.110 . 0 0 "[ . 1 .]" 1
691 1 81 ILE HB 1 82 VAL H 2.752 . 3.699 2.699 2.620 2.742 . 0 0 "[ . 1 .]" 1
692 1 81 ILE HB 1 99 LEU MD1 3.003 . 4.130 2.360 2.306 2.508 . 0 0 "[ . 1 .]" 1
693 1 81 ILE MD 1 81 ILE HG12 2.396 . 3.114 2.100 2.094 2.104 . 0 0 "[ . 1 .]" 1
694 1 81 ILE MD 1 81 ILE HG13 2.356 . 3.050 2.106 2.104 2.110 . 0 0 "[ . 1 .]" 1
695 1 81 ILE MD 1 82 VAL H 3.620 . 5.258 4.663 4.623 4.710 . 0 0 "[ . 1 .]" 1
696 1 81 ILE MD 1 99 LEU MD2 2.871 . 3.901 2.540 2.456 2.624 . 0 0 "[ . 1 .]" 1
697 1 81 ILE MD 1 104 ASN HA 3.034 . 4.185 3.904 3.783 3.976 . 0 0 "[ . 1 .]" 1
698 1 81 ILE MD 1 104 ASN QB 2.660 . 3.545 3.312 3.177 3.384 . 0 0 "[ . 1 .]" 1
699 1 81 ILE MD 1 106 LEU H 2.994 . 4.115 2.490 2.364 2.626 . 0 0 "[ . 1 .]" 1
700 1 81 ILE MD 1 106 LEU HA 2.742 . 3.682 2.850 2.775 3.005 . 0 0 "[ . 1 .]" 1
701 1 81 ILE MD 1 106 LEU QB 3.274 . 4.614 1.428 1.369 1.483 0.565 13 10 "[ * *.* -*** +**]" 1
702 1 81 ILE HG12 1 81 ILE MG 2.171 . 2.760 2.430 2.411 2.442 . 0 0 "[ . 1 .]" 1
703 1 81 ILE HG12 1 84 ILE HB 2.974 . 4.079 4.073 4.019 4.100 0.021 7 0 "[ . 1 .]" 1
704 1 81 ILE HG12 1 106 LEU QB 3.151 . 4.392 2.481 2.414 2.559 . 0 0 "[ . 1 .]" 1
705 1 81 ILE HG13 1 81 ILE MG 2.877 . 3.912 3.196 3.191 3.202 . 0 0 "[ . 1 .]" 1
706 1 81 ILE HG13 1 84 ILE MD 2.540 . 3.346 3.232 3.212 3.263 . 0 0 "[ . 1 .]" 1
707 1 81 ILE MG 1 82 VAL H 3.034 . 4.185 3.284 3.193 3.314 . 0 0 "[ . 1 .]" 1
708 1 81 ILE MG 1 84 ILE H 3.143 . 4.377 4.137 4.123 4.148 . 0 0 "[ . 1 .]" 1
709 1 81 ILE MG 1 84 ILE HB 2.573 . 3.401 2.928 2.897 2.988 . 0 0 "[ . 1 .]" 1
710 1 81 ILE MG 1 85 ILE HA 3.503 . 5.037 4.668 4.634 4.727 . 0 0 "[ . 1 .]" 1
711 1 81 ILE MG 1 99 LEU MD1 2.849 . 3.864 1.839 1.787 1.897 0.047 12 0 "[ . 1 .]" 1
712 1 81 ILE MG 1 99 LEU MD2 3.127 . 4.349 1.894 1.850 1.937 0.055 8 0 "[ . 1 .]" 1
713 1 81 ILE MG 1 106 LEU HA 2.727 . 3.656 1.811 1.759 1.981 0.039 7 0 "[ . 1 .]" 1
714 1 82 VAL H 1 82 VAL HA 2.711 . 3.630 2.791 2.786 2.800 . 0 0 "[ . 1 .]" 1
715 1 82 VAL H 1 82 VAL HB 2.655 . 3.536 3.636 3.630 3.641 0.105 7 0 "[ . 1 .]" 1
716 1 82 VAL H 1 82 VAL MG1 2.334 . 3.015 1.942 1.908 1.982 . 0 0 "[ . 1 .]" 1
717 1 82 VAL H 1 82 VAL MG2 2.686 . 3.588 2.529 2.478 2.568 . 0 0 "[ . 1 .]" 1
718 1 82 VAL H 1 83 ALA H 2.693 . 3.599 2.624 2.609 2.641 . 0 0 "[ . 1 .]" 1
719 1 82 VAL H 1 83 ALA MB 3.122 . 4.341 4.102 4.090 4.111 . 0 0 "[ . 1 .]" 1
720 1 82 VAL H 1 99 LEU MD1 3.677 . 5.367 2.833 2.781 2.946 . 0 0 "[ . 1 .]" 1
721 1 82 VAL HA 1 82 VAL HB 2.731 . 3.663 2.383 2.365 2.396 . 0 0 "[ . 1 .]" 1
722 1 82 VAL HA 1 82 VAL MG1 2.560 . 3.379 2.474 2.438 2.496 . 0 0 "[ . 1 .]" 1
723 1 82 VAL HA 1 82 VAL MG2 2.633 . 3.500 3.197 3.192 3.201 . 0 0 "[ . 1 .]" 1
724 1 82 VAL HA 1 83 ALA H 3.144 . 4.379 3.493 3.485 3.501 . 0 0 "[ . 1 .]" 1
725 1 82 VAL HA 1 85 ILE H 3.190 . 4.462 3.428 3.381 3.461 . 0 0 "[ . 1 .]" 1
726 1 82 VAL HA 1 85 ILE HB 2.530 . 3.330 2.715 2.669 2.763 . 0 0 "[ . 1 .]" 1
727 1 82 VAL HA 1 85 ILE MD 2.747 . 3.690 2.254 2.221 2.295 . 0 0 "[ . 1 .]" 1
728 1 82 VAL HA 1 86 THR MG 3.088 . 4.280 4.113 4.094 4.130 . 0 0 "[ . 1 .]" 1
729 1 82 VAL HA 1 95 ALA MB 2.452 . 3.204 1.821 1.791 1.850 . 0 0 "[ . 1 .]" 1
730 1 82 VAL HA 1 99 LEU MD1 2.716 . 3.638 2.809 2.771 2.851 . 0 0 "[ . 1 .]" 1
731 1 82 VAL HB 1 82 VAL MG1 2.374 . 3.079 2.119 2.115 2.123 . 0 0 "[ . 1 .]" 1
732 1 82 VAL HB 1 82 VAL MG2 2.346 . 3.034 2.079 2.073 2.083 . 0 0 "[ . 1 .]" 1
733 1 82 VAL HB 1 83 ALA H 2.846 . 3.859 3.833 3.802 3.863 0.004 13 0 "[ . 1 .]" 1
734 1 82 VAL HB 1 86 THR MG 2.958 . 4.052 3.876 3.845 3.908 . 0 0 "[ . 1 .]" 1
735 1 82 VAL HB 1 95 ALA MB 2.874 . 3.906 2.304 2.248 2.344 . 0 0 "[ . 1 .]" 1
736 1 82 VAL MG1 1 83 ALA H 2.994 . 4.115 3.688 3.644 3.723 . 0 0 "[ . 1 .]" 1
737 1 82 VAL MG1 1 96 ILE H 3.498 . 5.028 3.362 3.271 3.453 . 0 0 "[ . 1 .]" 1
738 1 82 VAL MG1 1 96 ILE HA 3.115 . 4.328 2.489 2.428 2.560 . 0 0 "[ . 1 .]" 1
739 1 82 VAL MG1 1 96 ILE HG13 2.855 . 3.874 1.809 1.722 1.889 0.114 8 0 "[ . 1 .]" 1
740 1 82 VAL MG2 1 83 ALA H 2.174 . 2.765 1.658 1.632 1.689 . 0 0 "[ . 1 .]" 1
741 1 82 VAL MG2 1 83 ALA HA 3.114 . 4.326 3.219 3.193 3.261 . 0 0 "[ . 1 .]" 1
742 1 82 VAL MG2 1 83 ALA MB 2.509 . 3.296 2.890 2.869 2.909 . 0 0 "[ . 1 .]" 1
743 1 82 VAL MG2 1 92 ARG HA 3.356 . 4.764 3.672 3.515 3.833 . 0 0 "[ . 1 .]" 1
744 1 83 ALA H 1 83 ALA HA 2.422 . 3.155 2.794 2.786 2.801 . 0 0 "[ . 1 .]" 1
745 1 83 ALA H 1 83 ALA MB 2.204 . 2.811 2.074 2.059 2.081 . 0 0 "[ . 1 .]" 1
746 1 83 ALA H 1 84 ILE H 2.843 . 3.854 2.732 2.696 2.751 . 0 0 "[ . 1 .]" 1
747 1 83 ALA H 1 84 ILE MD 3.819 . 5.642 4.653 4.617 4.702 . 0 0 "[ . 1 .]" 1
748 1 83 ALA H 1 84 ILE HG13 3.502 . 5.035 4.612 4.551 4.668 . 0 0 "[ . 1 .]" 1
749 1 83 ALA HA 1 83 ALA MB 2.283 . 2.935 2.111 2.107 2.114 . 0 0 "[ . 1 .]" 1
750 1 83 ALA HA 1 84 ILE H 2.820 . 3.814 3.555 3.545 3.563 . 0 0 "[ . 1 .]" 1
751 1 83 ALA MB 1 84 ILE H 2.648 . 3.525 2.431 2.395 2.467 . 0 0 "[ . 1 .]" 1
752 1 83 ALA MB 1 84 ILE HA 3.364 . 4.778 3.765 3.730 3.798 . 0 0 "[ . 1 .]" 1
753 1 83 ALA MB 1 84 ILE HB 3.503 . 5.037 4.470 4.439 4.494 . 0 0 "[ . 1 .]" 1
754 1 83 ALA MB 1 84 ILE MD 3.144 . 4.380 3.915 3.893 3.937 . 0 0 "[ . 1 .]" 1
755 1 83 ALA MB 1 84 ILE HG13 2.681 . 3.579 3.205 3.159 3.252 . 0 0 "[ . 1 .]" 1
756 1 84 ILE H 1 84 ILE HA 2.615 . 3.470 2.804 2.800 2.810 . 0 0 "[ . 1 .]" 1
757 1 84 ILE H 1 84 ILE HB 2.340 . 3.025 2.451 2.430 2.469 . 0 0 "[ . 1 .]" 1
758 1 84 ILE H 1 84 ILE MD 2.533 . 3.335 3.047 3.026 3.069 . 0 0 "[ . 1 .]" 1
759 1 84 ILE H 1 84 ILE HG12 2.846 . 3.858 3.703 3.674 3.754 . 0 0 "[ . 1 .]" 1
760 1 84 ILE H 1 84 ILE HG13 2.359 . 3.055 2.232 2.196 2.295 . 0 0 "[ . 1 .]" 1
761 1 84 ILE H 1 84 ILE MG 3.144 . 4.380 3.744 3.735 3.753 . 0 0 "[ . 1 .]" 1
762 1 84 ILE H 1 85 ILE H 2.708 . 3.624 2.683 2.660 2.699 . 0 0 "[ . 1 .]" 1
763 1 84 ILE H 1 85 ILE HG13 3.240 . 4.552 4.192 4.149 4.214 . 0 0 "[ . 1 .]" 1
764 1 84 ILE HA 1 84 ILE HB 2.630 . 3.495 3.025 3.022 3.028 . 0 0 "[ . 1 .]" 1
765 1 84 ILE HA 1 84 ILE MD 3.236 . 4.545 3.846 3.836 3.854 . 0 0 "[ . 1 .]" 1
766 1 84 ILE HA 1 84 ILE HG12 2.391 . 3.106 2.789 2.771 2.804 . 0 0 "[ . 1 .]" 1
767 1 84 ILE HA 1 84 ILE HG13 2.473 . 3.237 2.606 2.586 2.634 . 0 0 "[ . 1 .]" 1
768 1 84 ILE HA 1 84 ILE MG 2.425 . 3.160 2.475 2.457 2.489 . 0 0 "[ . 1 .]" 1
769 1 84 ILE HA 1 85 ILE H 2.914 . 3.975 3.526 3.519 3.534 . 0 0 "[ . 1 .]" 1
770 1 84 ILE HA 1 87 SER H 2.855 . 3.874 3.449 3.422 3.489 . 0 0 "[ . 1 .]" 1
771 1 84 ILE HA 1 87 SER HA 3.561 . 5.146 5.179 5.121 5.215 0.069 8 0 "[ . 1 .]" 1
772 1 84 ILE HA 1 87 SER QB 2.537 . 3.341 2.374 2.284 2.430 . 0 0 "[ . 1 .]" 1
773 1 84 ILE HB 1 84 ILE MD 2.247 . 2.878 2.298 2.287 2.305 . 0 0 "[ . 1 .]" 1
774 1 84 ILE HB 1 84 ILE HG12 2.559 . 3.377 2.984 2.981 2.989 . 0 0 "[ . 1 .]" 1
775 1 84 ILE HB 1 84 ILE MG 1.985 . 2.478 2.129 2.126 2.133 . 0 0 "[ . 1 .]" 1
776 1 84 ILE HB 1 85 ILE H 2.664 . 3.551 2.603 2.573 2.644 . 0 0 "[ . 1 .]" 1
777 1 84 ILE HB 1 106 LEU MD1 2.703 . 3.616 2.590 2.527 2.633 . 0 0 "[ . 1 .]" 1
778 1 84 ILE HB 1 106 LEU HG 3.195 . 4.471 3.840 3.783 3.912 . 0 0 "[ . 1 .]" 1
779 1 84 ILE MD 1 84 ILE HG12 2.283 . 2.935 2.105 2.101 2.108 . 0 0 "[ . 1 .]" 1
780 1 84 ILE MD 1 84 ILE HG13 1.916 . 2.375 2.105 2.102 2.108 . 0 0 "[ . 1 .]" 1
781 1 84 ILE MD 1 85 ILE H 3.365 . 4.780 4.329 4.305 4.347 . 0 0 "[ . 1 .]" 1
782 1 84 ILE HG12 1 85 ILE H 3.657 . 5.328 5.108 5.088 5.132 . 0 0 "[ . 1 .]" 1
783 1 84 ILE HG13 1 84 ILE MG 3.058 . 4.227 3.144 3.137 3.154 . 0 0 "[ . 1 .]" 1
784 1 84 ILE HG13 1 106 LEU MD1 3.156 . 4.401 4.105 4.084 4.129 . 0 0 "[ . 1 .]" 1
785 1 84 ILE MG 1 85 ILE H 2.978 . 4.086 3.311 3.292 3.332 . 0 0 "[ . 1 .]" 1
786 1 84 ILE MG 1 85 ILE HA 2.514 . 3.304 3.240 3.227 3.253 . 0 0 "[ . 1 .]" 1
787 1 84 ILE MG 1 85 ILE HG12 3.115 . 4.328 4.030 3.988 4.081 . 0 0 "[ . 1 .]" 1
788 1 84 ILE MG 1 87 SER QB 3.163 . 4.413 3.492 3.411 3.539 . 0 0 "[ . 1 .]" 1
789 1 84 ILE MG 1 88 MET HB2 3.455 . 4.947 4.650 4.589 4.675 . 0 0 "[ . 1 .]" 1
790 1 84 ILE MG 1 88 MET HG2 3.099 . 4.299 2.675 2.585 2.727 . 0 0 "[ . 1 .]" 1
791 1 84 ILE MG 1 88 MET HG3 3.254 . 4.578 3.452 3.346 3.512 . 0 0 "[ . 1 .]" 1
792 1 85 ILE H 1 85 ILE HA 2.469 . 3.231 2.811 2.803 2.821 . 0 0 "[ . 1 .]" 1
793 1 85 ILE H 1 85 ILE HB 2.376 . 3.082 2.482 2.468 2.503 . 0 0 "[ . 1 .]" 1
794 1 85 ILE H 1 85 ILE MD 3.422 . 4.885 3.442 3.421 3.464 . 0 0 "[ . 1 .]" 1
795 1 85 ILE H 1 85 ILE HG12 2.556 . 3.373 3.400 3.387 3.409 0.036 8 0 "[ . 1 .]" 1
796 1 85 ILE H 1 85 ILE HG13 2.421 . 3.154 2.053 2.034 2.068 . 0 0 "[ . 1 .]" 1
797 1 85 ILE H 1 86 THR H 2.721 . 3.647 2.749 2.720 2.782 . 0 0 "[ . 1 .]" 1
798 1 85 ILE H 1 95 ALA MB 3.110 . 4.319 3.646 3.607 3.683 . 0 0 "[ . 1 .]" 1
799 1 85 ILE HA 1 85 ILE HB 2.776 . 3.739 3.011 3.008 3.015 . 0 0 "[ . 1 .]" 1
800 1 85 ILE HA 1 85 ILE MD 3.215 . 4.507 3.820 3.814 3.831 . 0 0 "[ . 1 .]" 1
801 1 85 ILE HA 1 85 ILE HG12 2.549 . 3.361 2.520 2.513 2.542 . 0 0 "[ . 1 .]" 1
802 1 85 ILE HA 1 85 ILE HG13 2.278 . 2.927 2.899 2.886 2.923 . 0 0 "[ . 1 .]" 1
803 1 85 ILE HA 1 85 ILE MG 2.642 . 3.515 2.321 2.305 2.332 . 0 0 "[ . 1 .]" 1
804 1 85 ILE HA 1 86 THR H 3.164 . 4.416 3.576 3.568 3.583 . 0 0 "[ . 1 .]" 1
805 1 85 ILE HA 1 86 THR HA 3.414 . 4.871 4.649 4.627 4.664 . 0 0 "[ . 1 .]" 1
806 1 85 ILE HA 1 88 MET H 3.153 . 4.396 3.236 3.161 3.284 . 0 0 "[ . 1 .]" 1
807 1 85 ILE HA 1 88 MET HA 3.571 . 5.165 5.120 5.033 5.178 0.013 11 0 "[ . 1 .]" 1
808 1 85 ILE HA 1 88 MET HB2 2.771 . 3.731 2.819 2.734 2.872 . 0 0 "[ . 1 .]" 1
809 1 85 ILE HA 1 88 MET HG2 2.756 . 3.706 2.620 2.510 2.699 . 0 0 "[ . 1 .]" 1
810 1 85 ILE HA 1 88 MET HG3 3.058 . 4.227 2.891 2.827 2.994 . 0 0 "[ . 1 .]" 1
811 1 85 ILE HA 1 95 ALA MB 3.299 . 4.659 4.193 4.166 4.212 . 0 0 "[ . 1 .]" 1
812 1 85 ILE HB 1 85 ILE MD 2.946 . 4.031 2.425 2.414 2.434 . 0 0 "[ . 1 .]" 1
813 1 85 ILE HB 1 85 ILE MG 2.058 . 2.587 2.092 2.088 2.101 . 0 0 "[ . 1 .]" 1
814 1 85 ILE HB 1 86 THR H 2.732 . 3.665 2.497 2.468 2.534 . 0 0 "[ . 1 .]" 1
815 1 85 ILE HB 1 86 THR MG 2.935 . 4.012 3.783 3.761 3.807 . 0 0 "[ . 1 .]" 1
816 1 85 ILE HB 1 95 ALA HA 3.306 . 4.672 3.712 3.643 3.759 . 0 0 "[ . 1 .]" 1
817 1 85 ILE HB 1 95 ALA MB 2.346 . 3.034 1.809 1.776 1.832 . 0 0 "[ . 1 .]" 1
818 1 85 ILE MD 1 85 ILE HG12 2.290 . 2.945 2.115 2.111 2.118 . 0 0 "[ . 1 .]" 1
819 1 85 ILE MD 1 95 ALA HA 2.364 . 3.063 2.385 2.285 2.441 . 0 0 "[ . 1 .]" 1
820 1 85 ILE MD 1 95 ALA MB 2.530 . 3.330 1.667 1.656 1.679 0.074 5 0 "[ . 1 .]" 1
821 1 85 ILE MD 1 98 ALA H 3.866 . 5.734 4.827 4.763 4.890 . 0 0 "[ . 1 .]" 1
822 1 85 ILE MD 1 99 LEU H 3.182 . 4.447 3.804 3.777 3.852 . 0 0 "[ . 1 .]" 1
823 1 85 ILE MD 1 106 LEU HA 3.274 . 4.614 2.897 2.864 2.929 . 0 0 "[ . 1 .]" 1
824 1 85 ILE MD 1 109 ALA MB 2.439 . 3.183 1.901 1.866 1.930 . 0 0 "[ . 1 .]" 1
825 1 85 ILE MD 1 110 LEU H 3.506 . 5.042 3.630 3.565 3.664 . 0 0 "[ . 1 .]" 1
826 1 85 ILE MD 1 113 ILE MD 2.104 . 2.657 2.535 2.493 2.568 . 0 0 "[ . 1 .]" 1
827 1 85 ILE HG12 1 85 ILE MG 2.740 . 3.678 2.358 2.334 2.368 . 0 0 "[ . 1 .]" 1
828 1 85 ILE HG13 1 86 THR H 2.999 . 4.123 4.210 4.203 4.223 0.100 2 0 "[ . 1 .]" 1
829 1 85 ILE HG13 1 95 ALA MB 3.048 . 4.209 3.255 3.211 3.279 . 0 0 "[ . 1 .]" 1
830 1 85 ILE MG 1 86 THR H 2.788 . 3.760 3.350 3.294 3.392 . 0 0 "[ . 1 .]" 1
831 1 85 ILE MG 1 86 THR HA 2.931 . 4.005 3.540 3.477 3.576 . 0 0 "[ . 1 .]" 1
832 1 85 ILE MG 1 86 THR HB 3.390 . 4.827 4.220 4.158 4.311 . 0 0 "[ . 1 .]" 1
833 1 85 ILE MG 1 90 PHE H 3.159 . 4.406 3.657 3.618 3.708 . 0 0 "[ . 1 .]" 1
834 1 85 ILE MG 1 90 PHE HA 3.567 . 5.157 4.484 4.465 4.496 . 0 0 "[ . 1 .]" 1
835 1 85 ILE MG 1 90 PHE QB 2.323 . 2.998 1.968 1.945 1.982 . 0 0 "[ . 1 .]" 1
836 1 85 ILE MG 1 94 GLN HG2 2.776 . 3.739 3.535 3.411 4.196 0.457 12 0 "[ . 1 .]" 1
837 1 85 ILE MG 1 95 ALA H 3.188 . 4.458 3.484 3.344 3.537 . 0 0 "[ . 1 .]" 1
838 1 85 ILE MG 1 95 ALA HA 2.332 . 3.012 2.592 2.552 2.618 . 0 0 "[ . 1 .]" 1
839 1 85 ILE MG 1 95 ALA MB 1.559 . 1.863 1.860 1.843 1.877 0.014 12 0 "[ . 1 .]" 1
840 1 85 ILE MG 1 113 ILE MD 2.241 . 2.869 1.707 1.669 1.750 . 0 0 "[ . 1 .]" 1
841 1 86 THR H 1 86 THR HA 2.848 . 3.862 2.851 2.843 2.858 . 0 0 "[ . 1 .]" 1
842 1 86 THR H 1 86 THR HB 2.778 . 3.742 2.921 2.905 2.945 . 0 0 "[ . 1 .]" 1
843 1 86 THR H 1 86 THR MG 2.499 . 3.280 2.070 2.048 2.088 . 0 0 "[ . 1 .]" 1
844 1 86 THR H 1 87 SER H 2.693 . 3.599 2.545 2.500 2.580 . 0 0 "[ . 1 .]" 1
845 1 86 THR H 1 95 ALA MB 3.267 . 4.601 3.210 3.163 3.262 . 0 0 "[ . 1 .]" 1
846 1 86 THR HA 1 86 THR HB 2.140 . 2.713 2.327 2.318 2.337 . 0 0 "[ . 1 .]" 1
847 1 86 THR HA 1 86 THR MG 2.849 . 3.864 3.199 3.192 3.205 . 0 0 "[ . 1 .]" 1
848 1 86 THR HA 1 87 SER H 2.793 . 3.768 3.451 3.436 3.471 . 0 0 "[ . 1 .]" 1
849 1 86 THR HA 1 88 MET H 3.365 . 4.781 3.809 3.671 3.976 . 0 0 "[ . 1 .]" 1
850 1 86 THR HA 1 89 GLY H 3.064 . 4.238 3.136 3.072 3.200 . 0 0 "[ . 1 .]" 1
851 1 86 THR HA 1 89 GLY HA2 3.372 . 4.794 4.687 4.567 4.790 . 0 0 "[ . 1 .]" 1
852 1 86 THR HA 1 90 PHE H 2.671 . 3.563 2.536 2.401 2.714 . 0 0 "[ . 1 .]" 1
853 1 86 THR HA 1 92 ARG HA 3.449 . 4.936 4.569 4.454 4.633 . 0 0 "[ . 1 .]" 1
854 1 86 THR HA 1 95 ALA MB 3.400 . 4.845 4.222 4.184 4.258 . 0 0 "[ . 1 .]" 1
855 1 86 THR HB 1 86 THR MG 2.061 . 2.592 2.091 2.087 2.097 . 0 0 "[ . 1 .]" 1
856 1 86 THR HB 1 87 SER H 3.126 . 4.348 4.337 4.314 4.364 0.016 9 0 "[ . 1 .]" 1
857 1 86 THR HB 1 92 ARG HA 3.099 . 4.299 2.592 2.472 2.639 . 0 0 "[ . 1 .]" 1
858 1 86 THR HB 1 92 ARG HG2 3.543 . 5.112 5.108 4.972 5.147 0.035 5 0 "[ . 1 .]" 1
859 1 86 THR HB 1 95 ALA MB 3.073 . 4.253 3.702 3.656 3.740 . 0 0 "[ . 1 .]" 1
860 1 86 THR MG 1 92 ARG HA 2.259 . 2.897 2.310 2.243 2.393 . 0 0 "[ . 1 .]" 1
861 1 86 THR MG 1 92 ARG HB2 2.520 . 3.314 2.364 2.242 2.448 . 0 0 "[ . 1 .]" 1
862 1 86 THR MG 1 92 ARG HB3 3.058 . 4.227 3.785 3.691 3.847 . 0 0 "[ . 1 .]" 1
863 1 86 THR MG 1 92 ARG HG2 3.058 . 4.227 3.926 3.805 3.972 . 0 0 "[ . 1 .]" 1
864 1 86 THR MG 1 95 ALA H 3.617 . 5.252 5.002 4.976 5.024 . 0 0 "[ . 1 .]" 1
865 1 87 SER H 1 87 SER HA 2.630 . 3.495 2.861 2.838 2.874 . 0 0 "[ . 1 .]" 1
866 1 87 SER H 1 87 SER QB 2.235 . 2.859 2.406 2.265 2.472 . 0 0 "[ . 1 .]" 1
867 1 87 SER H 1 88 MET H 2.807 . 3.792 2.459 2.416 2.530 . 0 0 "[ . 1 .]" 1
868 1 87 SER HA 1 87 SER QB 2.398 . 3.117 2.376 2.358 2.415 . 0 0 "[ . 1 .]" 1
869 1 87 SER HA 1 88 MET H 3.126 . 4.348 3.468 3.425 3.507 . 0 0 "[ . 1 .]" 1
870 1 87 SER HA 1 89 GLY H 2.970 . 4.072 3.762 3.639 3.826 . 0 0 "[ . 1 .]" 1
871 1 87 SER QB 1 88 MET H 3.129 . 4.353 2.893 2.722 3.058 . 0 0 "[ . 1 .]" 1
872 1 88 MET H 1 88 MET HA 2.697 . 3.606 2.841 2.810 2.866 . 0 0 "[ . 1 .]" 1
873 1 88 MET H 1 88 MET HB2 2.466 . 3.226 2.409 2.369 2.461 . 0 0 "[ . 1 .]" 1
874 1 88 MET H 1 88 MET HG2 2.720 . 3.645 2.444 2.320 2.512 . 0 0 "[ . 1 .]" 1
875 1 88 MET H 1 88 MET HG3 3.073 . 4.253 3.777 3.703 3.833 . 0 0 "[ . 1 .]" 1
876 1 88 MET H 1 89 GLY H 2.648 . 3.525 2.482 2.376 2.592 . 0 0 "[ . 1 .]" 1
877 1 88 MET H 1 90 PHE H 3.439 . 4.917 3.555 3.413 3.687 . 0 0 "[ . 1 .]" 1
878 1 88 MET HA 1 88 MET HB2 2.376 . 3.081 3.015 3.010 3.020 . 0 0 "[ . 1 .]" 1
879 1 88 MET HA 1 88 MET HG2 2.468 . 3.230 3.027 2.993 3.061 . 0 0 "[ . 1 .]" 1
880 1 88 MET HA 1 88 MET HG3 2.738 . 3.675 3.733 3.720 3.761 0.086 11 0 "[ . 1 .]" 1
881 1 88 MET HA 1 89 GLY H 2.567 . 3.391 3.428 3.413 3.444 0.053 4 0 "[ . 1 .]" 1
882 1 88 MET HA 1 89 GLY HA3 3.245 . 4.561 4.560 4.532 4.578 0.017 2 0 "[ . 1 .]" 1
883 1 88 MET HB2 1 88 MET HG2 2.125 . 2.689 2.437 2.415 2.458 . 0 0 "[ . 1 .]" 1
884 1 88 MET HB2 1 89 GLY H 2.255 . 2.891 2.957 2.912 2.999 0.108 14 0 "[ . 1 .]" 1
885 1 88 MET HG2 1 110 LEU MD2 3.361 . 4.773 3.144 3.116 3.160 . 0 0 "[ . 1 .]" 1
886 1 88 MET HG3 1 110 LEU MD1 3.222 . 4.520 2.810 2.770 2.843 . 0 0 "[ . 1 .]" 1
887 1 88 MET HG3 1 110 LEU MD2 2.729 . 3.660 2.115 2.050 2.144 . 0 0 "[ . 1 .]" 1
888 1 89 GLY H 1 89 GLY HA2 2.572 . 3.399 2.532 2.506 2.555 . 0 0 "[ . 1 .]" 1
889 1 89 GLY H 1 89 GLY HA3 2.233 . 2.856 2.937 2.934 2.941 0.085 11 0 "[ . 1 .]" 1
890 1 89 GLY H 1 90 PHE H 2.237 . 2.862 1.870 1.808 1.952 . 0 0 "[ . 1 .]" 1
891 1 89 GLY HA2 1 90 PHE H 3.189 . 4.460 3.272 3.195 3.355 . 0 0 "[ . 1 .]" 1
892 1 89 GLY HA3 1 90 PHE H 3.163 . 4.414 3.254 3.149 3.329 . 0 0 "[ . 1 .]" 1
893 1 90 PHE H 1 90 PHE HA 2.547 . 3.358 2.909 2.887 2.927 . 0 0 "[ . 1 .]" 1
894 1 90 PHE H 1 90 PHE QB 2.843 . 3.310 2.421 2.385 2.447 . 0 0 "[ . 1 .]" 1
895 1 90 PHE HA 1 90 PHE QB 2.622 . 3.425 2.375 2.367 2.388 . 0 0 "[ . 1 .]" 1
896 1 90 PHE HA 1 91 GLN H 2.294 . 2.952 2.643 2.590 2.695 . 0 0 "[ . 1 .]" 1
897 1 90 PHE HA 1 91 GLN HB2 3.360 . 4.771 4.528 4.220 4.809 0.038 7 0 "[ . 1 .]" 1
898 1 90 PHE QB 1 91 GLN H 2.635 . 3.503 2.035 1.969 2.107 . 0 0 "[ . 1 .]" 1
899 1 90 PHE QB 1 91 GLN HA 3.503 . 5.037 4.219 4.191 4.260 . 0 0 "[ . 1 .]" 1
900 1 90 PHE QB 1 91 GLN HB2 3.073 . 4.253 4.514 3.931 4.731 0.478 12 0 "[ . 1 .]" 1
901 1 90 PHE QB 1 94 GLN HB3 3.329 . 4.227 3.396 3.119 3.505 . 0 0 "[ . 1 .]" 1
902 1 90 PHE QB 1 94 GLN HG2 2.815 . 3.805 2.566 2.502 2.653 . 0 0 "[ . 1 .]" 1
903 1 90 PHE QB 1 94 GLN HG3 3.543 . 5.112 4.057 3.138 4.215 . 0 0 "[ . 1 .]" 1
904 1 90 PHE QB 1 95 ALA MB 3.208 . 4.236 3.446 3.425 3.477 . 0 0 "[ . 1 .]" 1
905 1 90 PHE QB 1 113 ILE MD 3.012 . 4.058 2.430 2.413 2.468 . 0 0 "[ . 1 .]" 1
906 1 90 PHE QB 1 113 ILE MG 3.216 . 4.509 2.537 2.352 2.670 . 0 0 "[ . 1 .]" 1
907 1 91 GLN H 1 91 GLN HA 2.550 . 3.363 2.917 2.891 2.929 . 0 0 "[ . 1 .]" 1
908 1 91 GLN H 1 91 GLN HB2 2.387 . 3.099 2.719 2.227 2.937 . 0 0 "[ . 1 .]" 1
909 1 91 GLN H 1 91 GLN HB3 2.597 . 3.440 2.608 2.343 3.541 0.101 7 0 "[ . 1 .]" 1
910 1 91 GLN H 1 91 GLN HG2 3.244 . 4.559 4.295 3.958 4.559 0.000 8 0 "[ . 1 .]" 1
911 1 91 GLN H 1 91 GLN HG3 3.048 . 4.209 4.323 2.810 4.606 0.397 14 0 "[ . 1 .]" 1
912 1 91 GLN HA 1 91 GLN HB2 2.405 . 3.128 2.536 2.404 3.007 . 0 0 "[ . 1 .]" 1
913 1 91 GLN HA 1 91 GLN HB3 2.255 . 2.891 2.957 2.571 3.027 0.136 1 0 "[ . 1 .]" 1
914 1 91 GLN HA 1 91 GLN HG2 2.212 . 2.824 3.010 2.467 3.289 0.465 12 0 "[ . 1 .]" 1
915 1 91 GLN HA 1 91 GLN HG3 2.829 . 3.829 2.655 2.393 2.871 . 0 0 "[ . 1 .]" 1
916 1 91 GLN HA 1 92 ARG H 2.666 . 3.554 2.288 2.243 2.323 . 0 0 "[ . 1 .]" 1
917 1 91 GLN HA 1 92 ARG HA 3.411 . 4.865 4.377 4.352 4.420 . 0 0 "[ . 1 .]" 1
918 1 91 GLN HA 1 94 GLN H 3.819 . 5.642 4.359 4.177 4.437 . 0 0 "[ . 1 .]" 1
919 1 91 GLN HB2 1 91 GLN HG2 2.359 . 3.054 2.995 2.983 3.009 . 0 0 "[ . 1 .]" 1
920 1 91 GLN HB2 1 91 GLN HG3 2.139 . 2.711 2.422 2.352 2.511 . 0 0 "[ . 1 .]" 1
921 1 91 GLN HB2 1 92 ARG H 3.336 . 4.727 4.081 4.001 4.262 . 0 0 "[ . 1 .]" 1
922 1 91 GLN HB2 1 94 GLN H 3.131 . 4.356 3.776 2.193 4.082 . 0 0 "[ . 1 .]" 1
923 1 91 GLN HB3 1 91 GLN HG3 2.320 . 2.993 3.002 2.992 3.007 0.014 6 0 "[ . 1 .]" 1
924 1 91 GLN HB3 1 92 ARG H 3.012 . 4.146 3.815 2.782 4.136 . 0 0 "[ . 1 .]" 1
925 1 91 GLN HB3 1 93 ASN H 3.482 . 4.998 3.960 2.741 4.373 . 0 0 "[ . 1 .]" 1
926 1 91 GLN HB3 1 93 ASN HB3 3.550 . 5.125 4.010 3.068 4.378 . 0 0 "[ . 1 .]" 1
927 1 91 GLN HB3 1 94 GLN H 2.961 . 4.057 2.410 1.872 2.641 . 0 0 "[ . 1 .]" 1
928 1 91 GLN HG2 1 92 ARG H 3.242 . 4.556 2.803 2.471 3.861 . 0 0 "[ . 1 .]" 1
929 1 91 GLN HG2 1 94 GLN H 3.034 . 4.185 2.643 1.931 4.377 0.192 13 0 "[ . 1 .]" 1
930 1 91 GLN HG3 1 92 ARG H 3.368 . 4.786 3.145 2.605 4.772 . 0 0 "[ . 1 .]" 1
931 1 91 GLN HG3 1 94 GLN H 3.586 . 5.193 4.051 3.642 4.727 . 0 0 "[ . 1 .]" 1
932 1 92 ARG H 1 92 ARG HB2 2.886 . 3.927 2.535 2.498 2.591 . 0 0 "[ . 1 .]" 1
933 1 92 ARG H 1 92 ARG HB3 3.388 . 4.823 2.551 2.478 2.583 . 0 0 "[ . 1 .]" 1
934 1 92 ARG HA 1 92 ARG HB2 2.597 . 3.440 2.450 2.436 2.458 . 0 0 "[ . 1 .]" 1
935 1 92 ARG HA 1 92 ARG HB3 2.449 . 3.199 3.017 3.007 3.021 . 0 0 "[ . 1 .]" 1
936 1 92 ARG HA 1 92 ARG HD2 3.197 . 4.474 4.494 4.439 4.525 0.051 12 0 "[ . 1 .]" 1
937 1 92 ARG HA 1 92 ARG HG2 2.166 . 2.753 2.702 2.653 2.756 0.003 11 0 "[ . 1 .]" 1
938 1 92 ARG HA 1 93 ASN H 3.007 . 4.137 3.551 3.537 3.568 . 0 0 "[ . 1 .]" 1
939 1 92 ARG HA 1 95 ALA H 2.853 . 3.871 3.371 3.249 3.431 . 0 0 "[ . 1 .]" 1
940 1 92 ARG HA 1 95 ALA MB 2.518 . 3.310 2.438 2.345 2.514 . 0 0 "[ . 1 .]" 1
941 1 92 ARG HB2 1 92 ARG HD2 2.550 . 3.363 3.382 3.323 3.485 0.122 10 0 "[ . 1 .]" 1
942 1 92 ARG HB2 1 92 ARG HD3 3.025 . 4.169 3.924 3.861 3.993 . 0 0 "[ . 1 .]" 1
943 1 92 ARG HB2 1 92 ARG HG2 2.485 . 3.257 2.949 2.923 2.968 . 0 0 "[ . 1 .]" 1
944 1 92 ARG HB2 1 93 ASN H 2.683 . 3.583 3.672 3.655 3.684 0.101 13 0 "[ . 1 .]" 1
945 1 92 ARG HB3 1 92 ARG HD2 2.489 . 3.263 2.288 2.222 2.338 . 0 0 "[ . 1 .]" 1
946 1 92 ARG HB3 1 92 ARG HD3 2.749 . 3.694 3.532 3.499 3.556 . 0 0 "[ . 1 .]" 1
947 1 92 ARG HB3 1 92 ARG HG2 2.104 . 2.658 2.660 2.626 2.693 0.035 15 0 "[ . 1 .]" 1
948 1 92 ARG HB3 1 93 ASN H 2.703 . 3.616 2.251 2.214 2.288 . 0 0 "[ . 1 .]" 1
949 1 92 ARG HB3 1 93 ASN HB2 2.958 . 4.052 4.059 4.027 4.082 0.030 9 0 "[ . 1 .]" 1
950 1 92 ARG HB3 1 93 ASN HB3 3.532 . 5.091 4.672 4.555 4.778 . 0 0 "[ . 1 .]" 1
951 1 92 ARG HD2 1 92 ARG HG2 2.246 . 2.877 2.453 2.387 2.525 . 0 0 "[ . 1 .]" 1
952 1 92 ARG HD2 1 96 ILE MD 2.566 . 3.389 2.832 2.684 2.903 . 0 0 "[ . 1 .]" 1
953 1 92 ARG HD3 1 92 ARG HG2 2.334 . 3.015 2.394 2.334 2.451 . 0 0 "[ . 1 .]" 1
954 1 92 ARG HD3 1 96 ILE MD 2.689 . 3.593 2.593 2.291 2.781 . 0 0 "[ . 1 .]" 1
955 1 92 ARG HG2 1 93 ASN HA 2.820 . 3.814 3.689 3.642 3.765 . 0 0 "[ . 1 .]" 1
956 1 92 ARG HG2 1 93 ASN HB2 3.432 . 4.905 4.947 4.896 4.979 0.074 10 0 "[ . 1 .]" 1
957 1 92 ARG HG2 1 93 ASN HB3 4.012 . 6.024 5.718 5.660 5.753 . 0 0 "[ . 1 .]" 1
958 1 92 ARG HG2 1 96 ILE MD 2.097 . 2.647 2.063 2.007 2.139 . 0 0 "[ . 1 .]" 1
959 1 93 ASN H 1 93 ASN HA 2.809 . 3.796 2.799 2.790 2.816 . 0 0 "[ . 1 .]" 1
960 1 93 ASN H 1 93 ASN HB2 2.532 . 3.333 2.493 2.440 2.544 . 0 0 "[ . 1 .]" 1
961 1 93 ASN H 1 93 ASN HB3 2.820 . 3.814 2.534 2.462 2.622 . 0 0 "[ . 1 .]" 1
962 1 93 ASN H 1 94 GLN H 2.868 . 3.896 2.702 2.664 2.739 . 0 0 "[ . 1 .]" 1
963 1 93 ASN HA 1 93 ASN HB2 2.110 . 2.666 2.446 2.418 2.488 . 0 0 "[ . 1 .]" 1
964 1 93 ASN HA 1 93 ASN HB3 2.402 . 3.123 3.023 3.019 3.027 . 0 0 "[ . 1 .]" 1
965 1 93 ASN HA 1 94 GLN H 2.978 . 4.086 3.508 3.488 3.549 . 0 0 "[ . 1 .]" 1
966 1 93 ASN HA 1 96 ILE H 2.807 . 3.792 3.088 3.051 3.124 . 0 0 "[ . 1 .]" 1
967 1 93 ASN HA 1 96 ILE HA 3.467 . 4.969 4.924 4.837 4.992 0.023 5 0 "[ . 1 .]" 1
968 1 93 ASN HA 1 96 ILE HB 2.338 . 3.022 2.266 2.131 2.374 . 0 0 "[ . 1 .]" 1
969 1 93 ASN HA 1 96 ILE MD 2.389 . 3.103 1.926 1.878 1.970 . 0 0 "[ . 1 .]" 1
970 1 93 ASN HA 1 96 ILE HG12 3.223 . 4.521 4.178 4.093 4.231 . 0 0 "[ . 1 .]" 1
971 1 93 ASN HA 1 96 ILE HG13 3.007 . 4.137 4.134 4.065 4.167 0.030 2 0 "[ . 1 .]" 1
972 1 93 ASN HA 1 96 ILE MG 3.437 . 4.913 3.684 3.555 3.783 . 0 0 "[ . 1 .]" 1
973 1 93 ASN HB2 1 94 GLN H 2.851 . 3.867 3.898 3.837 3.942 0.075 1 0 "[ . 1 .]" 1
974 1 93 ASN HB2 1 96 ILE MD 2.978 . 4.086 3.544 3.473 3.608 . 0 0 "[ . 1 .]" 1
975 1 93 ASN HB3 1 94 GLN H 2.900 . 3.951 2.655 2.575 2.718 . 0 0 "[ . 1 .]" 1
976 1 93 ASN HB3 1 94 GLN HB3 3.274 . 4.614 4.647 4.596 4.738 0.124 12 0 "[ . 1 .]" 1
977 1 93 ASN HB3 1 96 ILE MD 3.431 . 4.903 4.380 4.321 4.427 . 0 0 "[ . 1 .]" 1
978 1 94 GLN H 1 94 GLN HA 2.681 . 3.579 2.823 2.799 2.832 . 0 0 "[ . 1 .]" 1
979 1 94 GLN H 1 94 GLN HB3 2.209 . 2.819 2.206 2.167 2.279 . 0 0 "[ . 1 .]" 1
980 1 94 GLN H 1 94 GLN HG2 3.068 . 4.244 4.209 4.142 4.490 0.246 12 0 "[ . 1 .]" 1
981 1 94 GLN H 1 94 GLN HG3 3.278 . 4.621 4.464 4.282 4.509 . 0 0 "[ . 1 .]" 1
982 1 94 GLN H 1 95 ALA H 2.458 . 3.213 2.554 2.528 2.623 . 0 0 "[ . 1 .]" 1
983 1 94 GLN H 1 95 ALA MB 3.394 . 4.834 4.154 4.117 4.199 . 0 0 "[ . 1 .]" 1
984 1 94 GLN HA 1 94 GLN HB3 2.260 . 2.898 2.983 2.978 2.989 0.091 2 0 "[ . 1 .]" 1
985 1 94 GLN HA 1 94 GLN HG2 2.834 . 3.838 3.632 3.560 3.839 0.001 12 0 "[ . 1 .]" 1
986 1 94 GLN HA 1 94 GLN HG3 2.707 . 3.623 2.808 2.685 3.198 . 0 0 "[ . 1 .]" 1
987 1 94 GLN HA 1 95 ALA H 2.807 . 3.792 3.508 3.495 3.515 . 0 0 "[ . 1 .]" 1
988 1 94 GLN HA 1 97 GLN H 2.740 . 3.678 3.445 3.285 3.574 . 0 0 "[ . 1 .]" 1
989 1 94 GLN HA 1 113 ILE MD 3.333 . 4.722 4.207 4.130 4.283 . 0 0 "[ . 1 .]" 1
990 1 94 GLN HB3 1 95 ALA H 2.235 . 2.860 2.701 2.385 2.768 . 0 0 "[ . 1 .]" 1
991 1 94 GLN HB3 1 113 ILE MD 3.201 . 4.482 3.685 3.422 3.760 . 0 0 "[ . 1 .]" 1
992 1 94 GLN HB3 1 113 ILE MG 3.516 . 5.061 4.307 4.138 4.390 . 0 0 "[ . 1 .]" 1
993 1 94 GLN HG2 1 95 ALA MB 3.417 . 4.877 4.075 3.901 4.960 0.083 12 0 "[ . 1 .]" 1
994 1 94 GLN HG2 1 113 ILE MD 2.864 . 3.890 2.027 1.906 2.719 . 0 0 "[ . 1 .]" 1
995 1 94 GLN HG2 1 113 ILE MG 3.078 . 4.262 2.544 2.332 2.624 . 0 0 "[ . 1 .]" 1
996 1 94 GLN HG3 1 95 ALA MB 5.153 . 8.473 4.991 4.042 5.144 . 0 0 "[ . 1 .]" 1
997 1 94 GLN HG3 1 113 ILE MD 3.156 . 4.401 2.722 1.764 2.851 0.147 12 0 "[ . 1 .]" 1
998 1 94 GLN HG3 1 113 ILE HG12 2.625 . 3.486 2.594 2.325 2.693 . 0 0 "[ . 1 .]" 1
999 1 95 ALA H 1 95 ALA HA 2.428 . 3.165 2.809 2.780 2.821 . 0 0 "[ . 1 .]" 1
1000 1 95 ALA H 1 95 ALA MB 2.195 . 2.797 2.188 2.167 2.203 . 0 0 "[ . 1 .]" 1
1001 1 95 ALA H 1 96 ILE H 2.543 . 3.351 2.660 2.622 2.732 . 0 0 "[ . 1 .]" 1
1002 1 95 ALA HA 1 95 ALA MB 2.097 . 2.647 2.129 2.125 2.133 . 0 0 "[ . 1 .]" 1
1003 1 95 ALA HA 1 96 ILE H 3.232 . 4.538 3.547 3.537 3.556 . 0 0 "[ . 1 .]" 1
1004 1 95 ALA HA 1 109 ALA MB 2.970 . 4.072 3.606 3.534 3.642 . 0 0 "[ . 1 .]" 1
1005 1 95 ALA HA 1 113 ILE MD 2.541 . 3.348 1.827 1.727 2.014 0.007 13 0 "[ . 1 .]" 1
1006 1 95 ALA HA 1 113 ILE HG13 2.840 . 3.848 3.897 3.850 3.938 0.090 12 0 "[ . 1 .]" 1
1007 1 95 ALA MB 1 96 ILE H 2.937 . 4.015 2.520 2.445 2.568 . 0 0 "[ . 1 .]" 1
1008 1 96 ILE H 1 96 ILE HA 2.709 . 3.627 2.785 2.778 2.792 . 0 0 "[ . 1 .]" 1
1009 1 96 ILE H 1 96 ILE HB 2.387 . 3.099 2.301 2.289 2.317 . 0 0 "[ . 1 .]" 1
1010 1 96 ILE H 1 96 ILE MD 2.837 . 3.843 2.587 2.520 2.624 . 0 0 "[ . 1 .]" 1
1011 1 96 ILE H 1 96 ILE HG12 3.150 . 4.391 4.196 4.181 4.218 . 0 0 "[ . 1 .]" 1
1012 1 96 ILE H 1 96 ILE HG13 2.452 . 3.204 3.078 3.042 3.137 . 0 0 "[ . 1 .]" 1
1013 1 96 ILE H 1 96 ILE MG 3.189 . 4.460 3.685 3.678 3.693 . 0 0 "[ . 1 .]" 1
1014 1 96 ILE H 1 97 GLN H 2.736 . 3.671 2.816 2.793 2.835 . 0 0 "[ . 1 .]" 1
1015 1 96 ILE HA 1 96 ILE HB 2.314 . 2.983 2.986 2.983 2.989 0.006 11 0 "[ . 1 .]" 1
1016 1 96 ILE HA 1 96 ILE MD 2.766 . 3.722 3.490 3.452 3.516 . 0 0 "[ . 1 .]" 1
1017 1 96 ILE HA 1 96 ILE HG12 2.541 . 3.348 3.120 3.097 3.164 . 0 0 "[ . 1 .]" 1
1018 1 96 ILE HA 1 96 ILE HG13 2.578 . 3.408 2.100 2.083 2.122 . 0 0 "[ . 1 .]" 1
1019 1 96 ILE HA 1 96 ILE MG 2.175 . 2.766 2.609 2.593 2.637 . 0 0 "[ . 1 .]" 1
1020 1 96 ILE HA 1 97 GLN H 3.220 . 4.516 3.550 3.541 3.561 . 0 0 "[ . 1 .]" 1
1021 1 96 ILE HA 1 99 LEU H 3.073 . 4.253 3.624 3.580 3.672 . 0 0 "[ . 1 .]" 1
1022 1 96 ILE HA 1 99 LEU HB2 2.562 . 3.382 2.931 2.876 2.962 . 0 0 "[ . 1 .]" 1
1023 1 96 ILE HA 1 99 LEU MD1 2.664 . 3.551 2.768 2.701 2.809 . 0 0 "[ . 1 .]" 1
1024 1 96 ILE HA 1 99 LEU HG 2.910 . 3.969 3.994 3.960 4.030 0.061 12 0 "[ . 1 .]" 1
1025 1 96 ILE HB 1 96 ILE MD 2.005 . 2.507 2.187 2.170 2.212 . 0 0 "[ . 1 .]" 1
1026 1 96 ILE HB 1 97 GLN H 2.625 . 3.486 2.561 2.528 2.581 . 0 0 "[ . 1 .]" 1
1027 1 96 ILE MD 1 96 ILE HG12 2.303 . 2.966 2.112 2.109 2.115 . 0 0 "[ . 1 .]" 1
1028 1 96 ILE MD 1 96 ILE HG13 2.196 . 2.799 2.114 2.110 2.121 . 0 0 "[ . 1 .]" 1
1029 1 96 ILE MD 1 97 GLN H 3.227 . 4.529 4.213 4.181 4.237 . 0 0 "[ . 1 .]" 1
1030 1 96 ILE HG13 1 96 ILE MG 2.877 . 3.912 2.958 2.932 2.975 . 0 0 "[ . 1 .]" 1
1031 1 96 ILE HG13 1 97 GLN H 3.288 . 4.639 4.690 4.674 4.709 0.070 15 0 "[ . 1 .]" 1
1032 1 96 ILE MG 1 97 GLN H 2.812 . 3.800 2.671 2.641 2.699 . 0 0 "[ . 1 .]" 1
1033 1 96 ILE MG 1 97 GLN HA 2.928 . 4.000 2.943 2.875 2.999 . 0 0 "[ . 1 .]" 1
1034 1 96 ILE MG 1 99 LEU H 3.630 . 5.277 4.816 4.797 4.839 . 0 0 "[ . 1 .]" 1
1035 1 96 ILE MG 1 99 LEU HB2 3.375 . 4.799 4.252 4.222 4.284 . 0 0 "[ . 1 .]" 1
1036 1 96 ILE MG 1 100 ARG H 3.786 . 5.578 3.929 3.882 3.989 . 0 0 "[ . 1 .]" 1
1037 1 96 ILE MG 1 100 ARG QD 2.389 . 3.103 2.406 2.071 2.557 . 0 0 "[ . 1 .]" 1
1038 1 97 GLN H 1 97 GLN HA 2.610 . 3.462 2.776 2.761 2.789 . 0 0 "[ . 1 .]" 1
1039 1 97 GLN H 1 97 GLN HB2 2.364 . 3.062 2.498 2.462 2.535 . 0 0 "[ . 1 .]" 1
1040 1 97 GLN H 1 97 GLN HB3 2.283 . 2.934 2.543 2.506 2.605 . 0 0 "[ . 1 .]" 1
1041 1 97 GLN H 1 97 GLN QG 3.121 . 4.339 3.960 3.952 3.969 . 0 0 "[ . 1 .]" 1
1042 1 97 GLN H 1 98 ALA H 2.805 . 3.788 2.768 2.714 2.805 . 0 0 "[ . 1 .]" 1
1043 1 97 GLN H 1 100 ARG H 3.725 . 5.459 4.670 4.618 4.698 . 0 0 "[ . 1 .]" 1
1044 1 97 GLN HA 1 97 GLN HB2 1.937 . 2.406 2.437 2.422 2.456 0.050 10 0 "[ . 1 .]" 1
1045 1 97 GLN HA 1 97 GLN HB3 2.284 . 2.936 3.004 2.998 3.008 0.072 6 0 "[ . 1 .]" 1
1046 1 97 GLN HA 1 97 GLN QG 2.552 . 3.109 2.406 2.350 2.455 . 0 0 "[ . 1 .]" 1
1047 1 97 GLN HA 1 98 ALA H 2.829 . 3.830 3.518 3.510 3.530 . 0 0 "[ . 1 .]" 1
1048 1 97 GLN HA 1 100 ARG H 2.759 . 3.710 3.535 3.448 3.611 . 0 0 "[ . 1 .]" 1
1049 1 97 GLN HA 1 100 ARG HB2 2.210 . 2.821 2.599 2.436 2.685 . 0 0 "[ . 1 .]" 1
1050 1 97 GLN HA 1 100 ARG QD 2.623 . 3.483 1.810 1.704 1.887 0.059 4 0 "[ . 1 .]" 1
1051 1 97 GLN HA 1 100 ARG HG3 3.063 . 4.236 3.357 3.075 3.460 . 0 0 "[ . 1 .]" 1
1052 1 97 GLN HA 1 101 ALA H 3.222 . 4.520 4.390 4.247 4.474 . 0 0 "[ . 1 .]" 1
1053 1 97 GLN HB2 1 98 ALA H 2.754 . 3.702 3.777 3.755 3.797 0.095 6 0 "[ . 1 .]" 1
1054 1 97 GLN HB2 1 100 ARG QD 2.943 . 4.025 3.683 3.608 3.739 . 0 0 "[ . 1 .]" 1
1055 1 97 GLN HB3 1 98 ALA H 2.484 . 3.255 2.440 2.378 2.502 . 0 0 "[ . 1 .]" 1
1056 1 97 GLN HB3 1 98 ALA HA 3.003 . 4.130 4.179 4.164 4.206 0.076 3 0 "[ . 1 .]" 1
1057 1 97 GLN HB3 1 100 ARG QD 3.324 . 4.705 4.592 4.496 4.653 . 0 0 "[ . 1 .]" 1
1058 1 97 GLN QG 1 98 ALA H 3.264 . 4.596 3.458 3.340 3.592 . 0 0 "[ . 1 .]" 1
1059 1 97 GLN QG 1 100 ARG HB2 3.208 . 4.146 3.674 3.536 3.775 . 0 0 "[ . 1 .]" 1
1060 1 97 GLN QG 1 100 ARG QD 3.106 . 4.312 3.389 3.224 3.484 . 0 0 "[ . 1 .]" 1
1061 1 97 GLN QG 1 101 ALA MB 3.455 . 4.947 3.890 3.785 3.970 . 0 0 "[ . 1 .]" 1
1062 1 98 ALA H 1 98 ALA HA 2.533 . 3.335 2.785 2.779 2.790 . 0 0 "[ . 1 .]" 1
1063 1 98 ALA H 1 98 ALA MB 2.624 . 3.485 2.129 2.108 2.147 . 0 0 "[ . 1 .]" 1
1064 1 98 ALA H 1 99 LEU HB2 3.470 . 4.976 4.957 4.918 4.999 0.023 8 0 "[ . 1 .]" 1
1065 1 98 ALA HA 1 98 ALA MB 2.166 . 2.752 2.115 2.112 2.120 . 0 0 "[ . 1 .]" 1
1066 1 98 ALA HA 1 99 LEU H 3.281 . 4.627 3.579 3.573 3.585 . 0 0 "[ . 1 .]" 1
1067 1 98 ALA HA 1 99 LEU HA 3.405 . 4.854 4.768 4.750 4.788 . 0 0 "[ . 1 .]" 1
1068 1 98 ALA HA 1 100 ARG HB2 3.540 . 5.107 4.849 4.769 4.991 . 0 0 "[ . 1 .]" 1
1069 1 98 ALA HA 1 101 ALA H 3.039 . 4.193 3.623 3.573 3.665 . 0 0 "[ . 1 .]" 1
1070 1 98 ALA HA 1 101 ALA MB 2.467 . 3.228 2.935 2.877 3.001 . 0 0 "[ . 1 .]" 1
1071 1 98 ALA HA 1 102 THR MG 3.333 . 4.722 3.431 3.367 3.466 . 0 0 "[ . 1 .]" 1
1072 1 98 ALA HA 1 109 ALA HA 2.954 . 4.045 3.823 3.775 3.879 . 0 0 "[ . 1 .]" 1
1073 1 98 ALA HA 1 109 ALA MB 3.083 . 4.271 4.067 4.038 4.098 . 0 0 "[ . 1 .]" 1
1074 1 98 ALA HA 1 112 TRP HB3 3.147 . 4.385 3.103 3.029 3.267 . 0 0 "[ . 1 .]" 1
1075 1 98 ALA HA 1 113 ILE HG13 3.342 . 4.738 4.056 4.020 4.105 . 0 0 "[ . 1 .]" 1
1076 1 98 ALA MB 1 102 THR MG 3.201 . 4.482 3.071 2.920 3.270 . 0 0 "[ . 1 .]" 1
1077 1 98 ALA MB 1 109 ALA H 3.453 . 4.943 4.410 4.382 4.439 . 0 0 "[ . 1 .]" 1
1078 1 98 ALA MB 1 109 ALA HA 3.034 . 3.373 2.251 2.223 2.271 . 0 0 "[ . 1 .]" 1
1079 1 98 ALA MB 1 109 ALA MB 2.287 . 2.941 1.913 1.870 1.958 . 0 0 "[ . 1 .]" 1
1080 1 98 ALA MB 1 112 TRP HA 3.483 . 5.000 4.802 4.763 4.822 . 0 0 "[ . 1 .]" 1
1081 1 98 ALA MB 1 112 TRP HB2 2.679 . 3.576 3.492 3.476 3.515 . 0 0 "[ . 1 .]" 1
1082 1 98 ALA MB 1 112 TRP HB3 2.668 . 3.557 2.101 2.059 2.130 . 0 0 "[ . 1 .]" 1
1083 1 98 ALA MB 1 113 ILE H 2.744 . 3.686 2.968 2.866 3.095 . 0 0 "[ . 1 .]" 1
1084 1 98 ALA MB 1 113 ILE HA 3.104 . 4.309 3.788 3.732 3.873 . 0 0 "[ . 1 .]" 1
1085 1 98 ALA MB 1 113 ILE MD 2.685 . 3.586 2.224 2.124 2.332 . 0 0 "[ . 1 .]" 1
1086 1 98 ALA MB 1 113 ILE HG12 2.394 . 3.110 2.221 2.172 2.268 . 0 0 "[ . 1 .]" 1
1087 1 98 ALA MB 1 113 ILE HG13 2.119 . 2.680 1.884 1.864 1.903 . 0 0 "[ . 1 .]" 1
1088 1 99 LEU H 1 99 LEU HA 2.677 . 3.573 2.800 2.791 2.806 . 0 0 "[ . 1 .]" 1
1089 1 99 LEU H 1 99 LEU HB2 2.231 . 2.853 2.484 2.471 2.499 . 0 0 "[ . 1 .]" 1
1090 1 99 LEU H 1 99 LEU MD1 2.814 . 3.804 3.469 3.450 3.487 . 0 0 "[ . 1 .]" 1
1091 1 99 LEU H 1 99 LEU MD2 2.974 . 4.079 3.492 3.442 3.539 . 0 0 "[ . 1 .]" 1
1092 1 99 LEU H 1 99 LEU HG 2.207 . 2.816 2.255 2.217 2.286 . 0 0 "[ . 1 .]" 1
1093 1 99 LEU H 1 100 ARG H 2.691 . 3.596 2.708 2.680 2.741 . 0 0 "[ . 1 .]" 1
1094 1 99 LEU H 1 101 ALA H 3.599 . 5.218 4.334 4.283 4.429 . 0 0 "[ . 1 .]" 1
1095 1 99 LEU H 1 109 ALA MB 2.955 . 4.046 2.719 2.692 2.744 . 0 0 "[ . 1 .]" 1
1096 1 99 LEU H 1 113 ILE HG13 3.565 . 5.154 5.213 5.181 5.248 0.094 10 0 "[ . 1 .]" 1
1097 1 99 LEU HA 1 99 LEU HB2 2.280 . 2.930 2.999 2.994 3.003 0.073 5 0 "[ . 1 .]" 1
1098 1 99 LEU HA 1 99 LEU MD1 3.267 . 4.601 3.865 3.860 3.872 . 0 0 "[ . 1 .]" 1
1099 1 99 LEU HA 1 99 LEU MD2 2.205 . 2.813 2.216 2.186 2.254 . 0 0 "[ . 1 .]" 1
1100 1 99 LEU HA 1 99 LEU HG 2.410 . 3.136 2.967 2.942 2.976 . 0 0 "[ . 1 .]" 1
1101 1 99 LEU HA 1 100 ARG H 2.654 . 3.534 3.524 3.504 3.536 0.002 10 0 "[ . 1 .]" 1
1102 1 99 LEU HA 1 101 ALA MB 3.550 . 5.125 4.802 4.756 4.840 . 0 0 "[ . 1 .]" 1
1103 1 99 LEU HA 1 102 THR H 2.887 . 3.929 3.050 2.925 3.127 . 0 0 "[ . 1 .]" 1
1104 1 99 LEU HA 1 102 THR HB 2.999 . 4.123 4.144 4.028 4.181 0.058 12 0 "[ . 1 .]" 1
1105 1 99 LEU HA 1 102 THR MG 3.251 . 4.572 3.113 2.921 3.433 . 0 0 "[ . 1 .]" 1
1106 1 99 LEU HA 1 104 ASN H 2.890 . 3.934 3.145 2.899 3.359 . 0 0 "[ . 1 .]" 1
1107 1 99 LEU HA 1 104 ASN HA 3.029 . 4.176 3.277 3.204 3.367 . 0 0 "[ . 1 .]" 1
1108 1 99 LEU HA 1 109 ALA MB 2.186 . 2.783 2.689 2.660 2.733 . 0 0 "[ . 1 .]" 1
1109 1 99 LEU HB2 1 99 LEU MD1 2.168 . 2.756 2.192 2.167 2.223 . 0 0 "[ . 1 .]" 1
1110 1 99 LEU HB2 1 99 LEU MD2 2.605 . 3.453 3.148 3.140 3.152 . 0 0 "[ . 1 .]" 1
1111 1 99 LEU HB2 1 99 LEU HG 1.987 . 2.481 2.515 2.511 2.523 0.042 9 0 "[ . 1 .]" 1
1112 1 99 LEU HB2 1 100 ARG H 2.720 . 3.645 2.768 2.717 2.823 . 0 0 "[ . 1 .]" 1
1113 1 99 LEU HB2 1 104 ASN H 2.971 . 4.074 4.149 4.111 4.184 0.110 8 0 "[ . 1 .]" 1
1114 1 99 LEU HB2 1 104 ASN HA 2.628 . 3.491 3.485 3.436 3.539 0.048 9 0 "[ . 1 .]" 1
1115 1 99 LEU HB2 1 109 ALA MB 3.094 . 4.290 4.028 4.009 4.048 . 0 0 "[ . 1 .]" 1
1116 1 99 LEU HB3 1 104 ASN HA 2.510 . 3.298 1.750 1.705 1.811 0.017 2 0 "[ . 1 .]" 1
1117 1 99 LEU MD1 1 99 LEU HG 2.121 . 2.683 2.117 2.114 2.122 . 0 0 "[ . 1 .]" 1
1118 1 99 LEU MD1 1 100 ARG H 3.418 . 4.878 4.521 4.502 4.542 . 0 0 "[ . 1 .]" 1
1119 1 99 LEU MD1 1 104 ASN HA 3.058 . 4.227 3.107 3.070 3.143 . 0 0 "[ . 1 .]" 1
1120 1 99 LEU MD1 1 109 ALA MB 3.390 . 4.827 3.444 3.416 3.458 . 0 0 "[ . 1 .]" 1
1121 1 99 LEU MD2 1 99 LEU HG 2.232 . 2.855 2.079 2.076 2.082 . 0 0 "[ . 1 .]" 1
1122 1 99 LEU MD2 1 104 ASN H 2.832 . 3.834 3.450 3.290 3.613 . 0 0 "[ . 1 .]" 1
1123 1 99 LEU MD2 1 104 ASN HA 2.299 . 2.960 2.169 2.103 2.248 . 0 0 "[ . 1 .]" 1
1124 1 99 LEU MD2 1 104 ASN QB 3.398 . 4.253 3.561 3.495 3.669 . 0 0 "[ . 1 .]" 1
1125 1 99 LEU MD2 1 105 ASN H 3.088 . 4.280 2.875 2.738 3.003 . 0 0 "[ . 1 .]" 1
1126 1 99 LEU MD2 1 106 LEU HA 2.562 . 3.382 2.177 2.147 2.201 . 0 0 "[ . 1 .]" 1
1127 1 99 LEU MD2 1 106 LEU QB 3.467 . 4.969 3.427 3.396 3.448 . 0 0 "[ . 1 .]" 1
1128 1 99 LEU MD2 1 109 ALA MB 2.583 . 3.417 1.524 1.488 1.597 0.261 10 0 "[ . 1 .]" 1
1129 1 99 LEU HG 1 104 ASN HA 3.078 . 4.262 4.308 4.282 4.334 0.072 8 0 "[ . 1 .]" 1
1130 1 99 LEU HG 1 109 ALA MB 1.916 . 2.375 2.285 2.269 2.306 . 0 0 "[ . 1 .]" 1
1131 1 100 ARG H 1 100 ARG HA 2.362 . 3.059 2.789 2.780 2.800 . 0 0 "[ . 1 .]" 1
1132 1 100 ARG H 1 100 ARG HB2 2.142 . 2.715 2.360 2.314 2.461 . 0 0 "[ . 1 .]" 1
1133 1 100 ARG H 1 100 ARG QD 3.048 . 4.209 3.625 3.589 3.689 . 0 0 "[ . 1 .]" 1
1134 1 100 ARG H 1 100 ARG HG3 2.897 . 3.946 2.491 2.253 2.581 . 0 0 "[ . 1 .]" 1
1135 1 100 ARG H 1 101 ALA H 2.720 . 3.644 2.737 2.692 2.771 . 0 0 "[ . 1 .]" 1
1136 1 100 ARG H 1 101 ALA MB 3.273 . 4.612 4.311 4.282 4.327 . 0 0 "[ . 1 .]" 1
1137 1 100 ARG HA 1 100 ARG HB2 2.316 . 2.986 3.008 3.002 3.017 0.031 2 0 "[ . 1 .]" 1
1138 1 100 ARG HA 1 100 ARG QD 3.371 . 4.792 4.043 4.008 4.195 . 0 0 "[ . 1 .]" 1
1139 1 100 ARG HA 1 100 ARG HG3 2.351 . 3.042 2.785 2.749 2.954 . 0 0 "[ . 1 .]" 1
1140 1 100 ARG HA 1 101 ALA H 3.102 . 4.305 3.512 3.503 3.521 . 0 0 "[ . 1 .]" 1
1141 1 100 ARG HB2 1 100 ARG QD 1.980 . 2.470 2.337 2.295 2.437 . 0 0 "[ . 1 .]" 1
1142 1 100 ARG HB2 1 100 ARG HG3 2.284 . 2.936 2.515 2.480 2.534 . 0 0 "[ . 1 .]" 1
1143 1 100 ARG HB2 1 101 ALA H 2.513 . 3.302 2.484 2.428 2.551 . 0 0 "[ . 1 .]" 1
1144 1 100 ARG HB2 1 101 ALA MB 3.096 . 4.294 3.850 3.819 3.891 . 0 0 "[ . 1 .]" 1
1145 1 100 ARG QD 1 100 ARG HG3 2.290 . 2.946 2.265 2.170 2.294 . 0 0 "[ . 1 .]" 1
1146 1 100 ARG QD 1 101 ALA H 3.429 . 4.899 4.495 4.427 4.737 . 0 0 "[ . 1 .]" 1
1147 1 101 ALA H 1 101 ALA HA 2.635 . 3.503 2.845 2.827 2.861 . 0 0 "[ . 1 .]" 1
1148 1 101 ALA H 1 101 ALA MB 2.225 . 2.844 2.108 2.098 2.120 . 0 0 "[ . 1 .]" 1
1149 1 101 ALA H 1 102 THR H 2.607 . 3.457 2.568 2.504 2.615 . 0 0 "[ . 1 .]" 1
1150 1 101 ALA HA 1 101 ALA MB 2.292 . 2.949 2.111 2.107 2.114 . 0 0 "[ . 1 .]" 1
1151 1 101 ALA HA 1 102 THR H 3.015 . 4.151 3.540 3.529 3.551 . 0 0 "[ . 1 .]" 1
1152 1 101 ALA MB 1 102 THR H 2.525 . 3.322 2.619 2.534 2.717 . 0 0 "[ . 1 .]" 1
1153 1 101 ALA MB 1 102 THR HA 3.252 . 4.574 3.799 3.766 3.841 . 0 0 "[ . 1 .]" 1
1154 1 101 ALA MB 1 102 THR MG 3.307 . 4.674 2.727 2.684 2.784 . 0 0 "[ . 1 .]" 1
1155 1 101 ALA MB 1 103 ASN H 3.469 . 4.973 4.242 4.185 4.271 . 0 0 "[ . 1 .]" 1
1156 1 102 THR H 1 102 THR HA 2.615 . 3.470 2.878 2.869 2.885 . 0 0 "[ . 1 .]" 1
1157 1 102 THR H 1 102 THR HB 2.716 . 3.638 3.609 3.593 3.640 0.002 8 0 "[ . 1 .]" 1
1158 1 102 THR H 1 102 THR MG 2.677 . 3.573 2.184 2.055 2.248 . 0 0 "[ . 1 .]" 1
1159 1 102 THR H 1 103 ASN H 2.490 . 3.265 2.568 2.509 2.615 . 0 0 "[ . 1 .]" 1
1160 1 102 THR H 1 104 ASN H 3.243 . 4.557 4.022 3.675 4.251 . 0 0 "[ . 1 .]" 1
1161 1 102 THR H 1 108 ARG HD2 3.361 . 4.773 4.747 4.657 4.792 0.019 4 0 "[ . 1 .]" 1
1162 1 102 THR H 1 109 ALA HA 3.144 . 4.379 4.390 4.371 4.424 0.045 6 0 "[ . 1 .]" 1
1163 1 102 THR H 1 109 ALA MB 3.468 . 4.971 4.505 4.455 4.563 . 0 0 "[ . 1 .]" 1
1164 1 102 THR HA 1 102 THR MG 2.445 . 3.192 2.311 2.176 2.478 . 0 0 "[ . 1 .]" 1
1165 1 102 THR HA 1 103 ASN H 2.656 . 3.538 3.261 3.232 3.309 . 0 0 "[ . 1 .]" 1
1166 1 102 THR HA 1 105 ASN H 3.270 . 4.607 4.490 4.383 4.581 . 0 0 "[ . 1 .]" 1
1167 1 102 THR HA 1 108 ARG HB2 3.663 . 5.340 4.943 4.831 5.017 . 0 0 "[ . 1 .]" 1
1168 1 102 THR HA 1 108 ARG HB3 2.718 . 3.641 3.748 3.689 3.780 0.139 9 0 "[ . 1 .]" 1
1169 1 102 THR HA 1 108 ARG HD2 2.664 . 3.551 2.287 2.178 2.365 . 0 0 "[ . 1 .]" 1
1170 1 102 THR HB 1 102 THR MG 2.280 . 2.930 2.099 2.086 2.115 . 0 0 "[ . 1 .]" 1
1171 1 102 THR HB 1 105 ASN QB . . 1.917 1.938 1.900 1.968 0.051 14 0 "[ . 1 .]" 1
1172 1 102 THR HB 1 108 ARG H 3.253 . 4.576 4.138 4.066 4.227 . 0 0 "[ . 1 .]" 1
1173 1 102 THR HB 1 108 ARG HB2 2.359 . 3.055 3.173 3.135 3.237 0.182 8 0 "[ . 1 .]" 1
1174 1 102 THR HB 1 108 ARG HD2 2.791 . 3.765 1.963 1.858 2.053 . 0 0 "[ . 1 .]" 1
1175 1 102 THR HB 1 108 ARG HG2 2.457 . 3.211 2.981 2.879 3.114 . 0 0 "[ . 1 .]" 1
1176 1 102 THR HB 1 108 ARG HG3 2.939 . 4.019 4.026 3.964 4.094 0.075 12 0 "[ . 1 .]" 1
1177 1 102 THR HB 1 109 ALA H 3.097 . 4.296 3.640 3.576 3.743 . 0 0 "[ . 1 .]" 1
1178 1 102 THR HB 1 109 ALA HA 3.088 . 4.280 4.079 3.987 4.165 . 0 0 "[ . 1 .]" 1
1179 1 102 THR HB 1 109 ALA MB 3.644 . 5.304 4.186 4.066 4.254 . 0 0 "[ . 1 .]" 1
1180 1 102 THR MG 1 105 ASN QB 2.917 . 3.981 3.455 3.433 3.495 . 0 0 "[ . 1 .]" 1
1181 1 102 THR MG 1 108 ARG HA 3.058 . 4.227 3.615 3.557 3.689 . 0 0 "[ . 1 .]" 1
1182 1 102 THR MG 1 108 ARG HB2 2.840 . 3.848 3.667 3.609 3.692 . 0 0 "[ . 1 .]" 1
1183 1 102 THR MG 1 108 ARG HB3 2.421 . 3.154 2.333 2.235 2.447 . 0 0 "[ . 1 .]" 1
1184 1 102 THR MG 1 108 ARG HD2 2.450 . 3.200 2.772 2.591 2.870 . 0 0 "[ . 1 .]" 1
1185 1 102 THR MG 1 108 ARG HG2 2.159 . 2.742 1.932 1.670 2.183 . 0 0 "[ . 1 .]" 1
1186 1 102 THR MG 1 108 ARG HG3 2.935 . 4.012 3.451 3.306 3.593 . 0 0 "[ . 1 .]" 1
1187 1 102 THR MG 1 109 ALA HA 2.080 . 2.621 1.914 1.488 2.213 0.051 8 0 "[ . 1 .]" 1
1188 1 102 THR MG 1 109 ALA MB 3.371 . 4.791 2.950 2.588 3.253 . 0 0 "[ . 1 .]" 1
1189 1 102 THR MG 1 111 ASP HB3 3.965 . 5.930 3.834 3.669 4.054 . 0 0 "[ . 1 .]" 1
1190 1 102 THR MG 1 112 TRP H 3.261 . 4.591 3.345 3.265 3.397 . 0 0 "[ . 1 .]" 1
1191 1 103 ASN H 1 103 ASN HA 2.104 . 2.658 2.257 2.247 2.269 . 0 0 "[ . 1 .]" 1
1192 1 103 ASN H 1 103 ASN HB2 2.864 . 3.890 3.351 3.078 3.626 . 0 0 "[ . 1 .]" 1
1193 1 103 ASN H 1 103 ASN HB3 2.900 . 3.951 3.897 3.639 4.106 0.155 12 0 "[ . 1 .]" 1
1194 1 103 ASN H 1 104 ASN H 2.718 . 3.641 2.747 2.546 2.869 . 0 0 "[ . 1 .]" 1
1195 1 103 ASN H 1 104 ASN HA 3.733 . 5.475 4.895 4.803 4.963 . 0 0 "[ . 1 .]" 1
1196 1 103 ASN HA 1 103 ASN HB2 2.461 . 3.218 2.788 2.463 3.027 . 0 0 "[ . 1 .]" 1
1197 1 103 ASN HA 1 103 ASN HB3 2.308 . 2.974 2.738 2.438 3.023 0.049 9 0 "[ . 1 .]" 1
1198 1 103 ASN HA 1 104 ASN H 2.335 . 3.016 2.536 2.342 2.760 . 0 0 "[ . 1 .]" 1
1199 1 103 ASN HA 1 105 ASN H 3.121 . 4.339 4.233 4.104 4.330 . 0 0 "[ . 1 .]" 1
1200 1 103 ASN HB2 1 104 ASN H 3.395 . 4.836 4.471 4.316 4.616 . 0 0 "[ . 1 .]" 1
1201 1 103 ASN HB2 1 105 ASN H 3.406 . 4.856 4.541 3.919 5.193 0.337 2 0 "[ . 1 .]" 1
1202 1 103 ASN HB3 1 104 ASN H 3.109 . 4.318 4.325 4.220 4.383 0.065 9 0 "[ . 1 .]" 1
1203 1 104 ASN H 1 104 ASN HA 2.217 . 2.831 2.257 2.243 2.274 . 0 0 "[ . 1 .]" 1
1204 1 104 ASN H 1 104 ASN QB 3.058 . 4.176 3.136 2.919 3.415 . 0 0 "[ . 1 .]" 1
1205 1 104 ASN H 1 105 ASN H 2.756 . 3.705 2.727 2.522 2.865 . 0 0 "[ . 1 .]" 1
1206 1 104 ASN HA 1 104 ASN QB 2.402 . 3.123 2.254 2.169 2.399 . 0 0 "[ . 1 .]" 1
1207 1 104 ASN HA 1 105 ASN H 2.505 . 3.290 3.000 2.837 3.139 . 0 0 "[ . 1 .]" 1
1208 1 105 ASN H 1 105 ASN HA 2.625 . 3.486 2.903 2.875 2.926 . 0 0 "[ . 1 .]" 1
1209 1 105 ASN H 1 105 ASN QB 2.752 . 3.243 2.306 2.229 2.378 . 0 0 "[ . 1 .]" 1
1210 1 105 ASN HA 1 105 ASN QB 2.485 . 3.200 2.437 2.412 2.483 . 0 0 "[ . 1 .]" 1
1211 1 105 ASN HA 1 106 LEU H 2.290 . 2.945 2.097 2.082 2.111 . 0 0 "[ . 1 .]" 1
1212 1 105 ASN HA 1 106 LEU QB 3.221 . 4.391 3.966 3.946 3.982 . 0 0 "[ . 1 .]" 1
1213 1 105 ASN QB 1 108 ARG H 3.468 . 4.971 2.972 2.424 3.229 . 0 0 "[ . 1 .]" 1
1214 1 106 LEU H 1 106 LEU HA 2.763 . 3.717 2.775 2.730 2.790 . 0 0 "[ . 1 .]" 1
1215 1 106 LEU H 1 106 LEU QB 2.539 . 3.218 2.178 2.167 2.196 . 0 0 "[ . 1 .]" 1
1216 1 106 LEU H 1 106 LEU MD1 3.234 . 4.541 4.139 4.132 4.148 . 0 0 "[ . 1 .]" 1
1217 1 106 LEU H 1 106 LEU MD2 3.361 . 4.773 4.096 4.072 4.162 . 0 0 "[ . 1 .]" 1
1218 1 106 LEU H 1 106 LEU HG 3.405 . 4.854 4.457 4.451 4.463 . 0 0 "[ . 1 .]" 1
1219 1 106 LEU H 1 107 GLU H 2.886 . 3.927 2.915 2.837 3.053 . 0 0 "[ . 1 .]" 1
1220 1 106 LEU HA 1 106 LEU QB 2.504 . 3.288 2.327 2.321 2.333 . 0 0 "[ . 1 .]" 1
1221 1 106 LEU HA 1 106 LEU MD1 2.837 . 3.843 3.543 3.527 3.553 . 0 0 "[ . 1 .]" 1
1222 1 106 LEU HA 1 106 LEU MD2 2.783 . 3.751 3.486 3.473 3.503 . 0 0 "[ . 1 .]" 1
1223 1 106 LEU HA 1 106 LEU HG 2.635 . 3.503 2.606 2.588 2.623 . 0 0 "[ . 1 .]" 1
1224 1 106 LEU HA 1 107 GLU H 2.958 . 4.052 3.529 3.511 3.545 . 0 0 "[ . 1 .]" 1
1225 1 106 LEU HA 1 109 ALA H 3.049 . 4.211 3.627 3.557 3.691 . 0 0 "[ . 1 .]" 1
1226 1 106 LEU HA 1 109 ALA MB 3.007 . 4.137 2.614 2.580 2.642 . 0 0 "[ . 1 .]" 1
1227 1 106 LEU QB 1 106 LEU MD1 2.446 . 2.869 1.967 1.950 1.978 . 0 0 "[ . 1 .]" 1
1228 1 106 LEU QB 1 106 LEU MD2 2.506 . 3.291 2.155 2.146 2.170 . 0 0 "[ . 1 .]" 1
1229 1 106 LEU QB 1 107 GLU H 2.639 . 3.509 2.094 2.068 2.115 . 0 0 "[ . 1 .]" 1
1230 1 106 LEU QB 1 107 GLU QG 2.556 . 3.373 2.993 2.796 3.217 . 0 0 "[ . 1 .]" 1
1231 1 106 LEU MD1 1 106 LEU HG 2.064 . 2.596 2.121 2.117 2.124 . 0 0 "[ . 1 .]" 1
1232 1 106 LEU MD1 1 107 GLU H 3.475 . 4.984 4.223 4.202 4.242 . 0 0 "[ . 1 .]" 1
1233 1 106 LEU MD1 1 107 GLU QG 6.960 . 13.015 4.194 4.033 4.326 . 0 0 "[ . 1 .]" 1
1234 1 106 LEU MD2 1 106 LEU HG 1.881 . 2.323 2.123 2.120 2.126 . 0 0 "[ . 1 .]" 1
1235 1 106 LEU MD2 1 107 GLU H 2.902 . 3.955 2.483 2.436 2.521 . 0 0 "[ . 1 .]" 1
1236 1 106 LEU MD2 1 107 GLU HB3 3.102 . 4.305 4.034 3.887 4.116 . 0 0 "[ . 1 .]" 1
1237 1 106 LEU MD2 1 109 ALA H 3.541 . 5.108 4.760 4.707 4.825 . 0 0 "[ . 1 .]" 1
1238 1 106 LEU MD2 1 110 LEU H 3.193 . 4.467 4.235 4.163 4.263 . 0 0 "[ . 1 .]" 1
1239 1 106 LEU HG 1 107 GLU H 2.900 . 3.951 3.987 3.970 4.009 0.058 6 0 "[ . 1 .]" 1
1240 1 106 LEU HG 1 107 GLU HA 3.188 . 4.458 4.405 4.360 4.448 . 0 0 "[ . 1 .]" 1
1241 1 106 LEU HG 1 107 GLU QG 3.741 . 5.491 4.645 4.440 4.790 . 0 0 "[ . 1 .]" 1
1242 1 106 LEU HG 1 110 LEU MD1 2.914 . 3.975 3.066 2.871 3.135 . 0 0 "[ . 1 .]" 1
1243 1 107 GLU H 1 107 GLU HA 2.267 . 2.910 2.768 2.752 2.783 . 0 0 "[ . 1 .]" 1
1244 1 107 GLU H 1 107 GLU HB2 2.230 . 2.851 2.538 2.452 2.793 . 0 0 "[ . 1 .]" 1
1245 1 107 GLU H 1 107 GLU QG 2.702 . 3.615 2.098 1.908 2.316 . 0 0 "[ . 1 .]" 1
1246 1 107 GLU HA 1 107 GLU HB2 2.392 . 3.107 3.017 3.011 3.024 . 0 0 "[ . 1 .]" 1
1247 1 107 GLU HA 1 107 GLU HB3 2.267 . 2.909 2.469 2.372 2.518 . 0 0 "[ . 1 .]" 1
1248 1 107 GLU HA 1 107 GLU QG 2.186 . 2.783 2.661 2.437 2.741 . 0 0 "[ . 1 .]" 1
1249 1 107 GLU HA 1 108 ARG H 2.814 . 3.804 3.551 3.532 3.567 . 0 0 "[ . 1 .]" 1
1250 1 107 GLU HA 1 110 LEU HB2 2.832 . 3.834 3.161 3.055 3.338 . 0 0 "[ . 1 .]" 1
1251 1 107 GLU HA 1 110 LEU HB3 3.432 . 4.905 4.725 4.620 4.904 . 0 0 "[ . 1 .]" 1
1252 1 107 GLU HA 1 110 LEU MD1 2.344 . 3.031 2.133 2.048 2.228 . 0 0 "[ . 1 .]" 1
1253 1 107 GLU HA 1 111 ASP H 3.201 . 4.482 4.144 4.067 4.252 . 0 0 "[ . 1 .]" 1
1254 1 107 GLU HA 1 111 ASP HB2 3.424 . 4.889 4.909 4.808 4.975 0.086 13 0 "[ . 1 .]" 1
1255 1 107 GLU HB2 1 107 GLU QG 2.300 . 2.961 2.170 2.135 2.468 . 0 0 "[ . 1 .]" 1
1256 1 107 GLU HB2 1 108 ARG H 2.351 . 3.042 2.438 2.239 2.541 . 0 0 "[ . 1 .]" 1
1257 1 107 GLU HB3 1 108 ARG H 2.633 . 3.500 3.485 3.314 3.583 0.083 3 0 "[ . 1 .]" 1
1258 1 107 GLU HB3 1 110 LEU MD1 3.226 . 4.527 4.198 4.101 4.330 . 0 0 "[ . 1 .]" 1
1259 1 107 GLU QG 1 108 ARG H 3.078 . 4.262 3.960 3.644 4.065 . 0 0 "[ . 1 .]" 1
1260 1 107 GLU QG 1 110 LEU MD1 3.039 . 4.193 3.849 3.665 3.925 . 0 0 "[ . 1 .]" 1
1261 1 108 ARG H 1 108 ARG HA 2.516 . 3.307 2.827 2.810 2.839 . 0 0 "[ . 1 .]" 1
1262 1 108 ARG H 1 108 ARG HB2 1.915 . 2.374 2.340 2.214 2.406 0.032 8 0 "[ . 1 .]" 1
1263 1 108 ARG H 1 108 ARG HB3 2.390 . 3.104 2.719 2.664 2.768 . 0 0 "[ . 1 .]" 1
1264 1 108 ARG H 1 108 ARG HD2 3.307 . 4.674 4.784 4.741 4.826 0.152 12 0 "[ . 1 .]" 1
1265 1 108 ARG H 1 108 ARG HG2 3.247 . 4.565 4.526 4.515 4.539 . 0 0 "[ . 1 .]" 1
1266 1 108 ARG H 1 108 ARG HG3 3.144 . 4.380 4.319 4.198 4.383 0.003 8 0 "[ . 1 .]" 1
1267 1 108 ARG H 1 109 ALA H 2.630 . 3.494 2.605 2.553 2.670 . 0 0 "[ . 1 .]" 1
1268 1 108 ARG HA 1 108 ARG HD2 3.229 . 4.532 4.511 4.483 4.537 0.005 6 0 "[ . 1 .]" 1
1269 1 108 ARG HA 1 108 ARG HG2 2.370 . 3.072 2.907 2.832 2.976 . 0 0 "[ . 1 .]" 1
1270 1 108 ARG HA 1 108 ARG HG3 2.685 . 3.586 2.505 2.463 2.556 . 0 0 "[ . 1 .]" 1
1271 1 108 ARG HA 1 109 ALA H 3.016 . 4.153 3.507 3.501 3.515 . 0 0 "[ . 1 .]" 1
1272 1 108 ARG HA 1 109 ALA HA 3.412 . 4.867 4.788 4.763 4.808 . 0 0 "[ . 1 .]" 1
1273 1 108 ARG HA 1 111 ASP H 2.781 . 3.747 3.077 3.031 3.118 . 0 0 "[ . 1 .]" 1
1274 1 108 ARG HA 1 111 ASP HB2 2.252 . 2.886 1.987 1.955 2.037 . 0 0 "[ . 1 .]" 1
1275 1 108 ARG HA 1 111 ASP HB3 2.556 . 3.373 2.347 2.290 2.404 . 0 0 "[ . 1 .]" 1
1276 1 108 ARG HB2 1 108 ARG HD2 2.189 . 2.788 2.862 2.804 2.910 0.122 12 0 "[ . 1 .]" 1
1277 1 108 ARG HB2 1 109 ALA H 2.966 . 4.065 3.862 3.724 3.949 . 0 0 "[ . 1 .]" 1
1278 1 108 ARG HB2 1 111 ASP HB2 3.150 . 4.391 4.505 4.479 4.571 0.180 13 0 "[ . 1 .]" 1
1279 1 108 ARG HB2 1 111 ASP HB3 3.282 . 4.629 4.598 4.523 4.676 0.047 11 0 "[ . 1 .]" 1
1280 1 108 ARG HB3 1 108 ARG HD2 2.718 . 3.641 2.290 2.229 2.324 . 0 0 "[ . 1 .]" 1
1281 1 108 ARG HB3 1 109 ALA H 2.978 . 4.086 2.867 2.831 2.920 . 0 0 "[ . 1 .]" 1
1282 1 108 ARG HB3 1 111 ASP HB2 3.400 . 4.845 4.911 4.858 4.966 0.121 5 0 "[ . 1 .]" 1
1283 1 108 ARG HB3 1 111 ASP HB3 3.310 . 4.679 4.587 4.427 4.728 0.049 11 0 "[ . 1 .]" 1
1284 1 108 ARG HD2 1 108 ARG HG3 2.447 . 3.196 2.987 2.980 2.994 . 0 0 "[ . 1 .]" 1
1285 1 108 ARG HD2 1 109 ALA HA 3.697 . 5.406 5.533 5.492 5.601 0.195 9 0 "[ . 1 .]" 1
1286 1 108 ARG HG2 1 109 ALA HA 3.411 . 4.865 4.336 4.073 4.582 . 0 0 "[ . 1 .]" 1
1287 1 108 ARG HG2 1 111 ASP HB2 3.180 . 4.444 4.273 4.124 4.360 . 0 0 "[ . 1 .]" 1
1288 1 108 ARG HG3 1 109 ALA H 3.560 . 5.144 5.098 5.056 5.150 0.006 12 0 "[ . 1 .]" 1
1289 1 108 ARG HG3 1 111 ASP HB3 2.628 . 3.491 3.294 3.196 3.469 . 0 0 "[ . 1 .]" 1
1290 1 109 ALA H 1 109 ALA HA 2.605 . 3.453 2.804 2.793 2.811 . 0 0 "[ . 1 .]" 1
1291 1 109 ALA H 1 109 ALA MB 2.552 . 3.366 2.058 2.050 2.071 . 0 0 "[ . 1 .]" 1
1292 1 109 ALA H 1 110 LEU H 2.748 . 3.692 2.691 2.665 2.722 . 0 0 "[ . 1 .]" 1
1293 1 109 ALA HA 1 109 ALA MB 2.147 . 2.723 2.099 2.090 2.104 . 0 0 "[ . 1 .]" 1
1294 1 109 ALA HA 1 110 LEU H 2.829 . 3.830 3.542 3.531 3.552 . 0 0 "[ . 1 .]" 1
1295 1 109 ALA HA 1 111 ASP HB3 3.617 . 5.252 4.820 4.600 5.070 . 0 0 "[ . 1 .]" 1
1296 1 109 ALA HA 1 112 TRP H 2.826 . 3.824 3.301 3.254 3.356 . 0 0 "[ . 1 .]" 1
1297 1 109 ALA HA 1 112 TRP HB2 2.460 . 3.216 3.161 3.104 3.219 0.003 9 0 "[ . 1 .]" 1
1298 1 109 ALA HA 1 112 TRP HB3 2.544 . 3.353 2.751 2.684 2.829 . 0 0 "[ . 1 .]" 1
1299 1 109 ALA MB 1 110 LEU H 2.900 . 3.951 2.357 2.334 2.387 . 0 0 "[ . 1 .]" 1
1300 1 109 ALA MB 1 110 LEU HG 3.394 . 4.834 3.031 3.014 3.073 . 0 0 "[ . 1 .]" 1
1301 1 109 ALA MB 1 112 TRP HB3 3.171 . 4.428 4.066 4.018 4.121 . 0 0 "[ . 1 .]" 1
1302 1 109 ALA MB 1 113 ILE MD 2.994 . 4.115 3.083 3.029 3.124 . 0 0 "[ . 1 .]" 1
1303 1 109 ALA MB 1 113 ILE HG13 2.877 . 3.912 3.556 3.544 3.573 . 0 0 "[ . 1 .]" 1
1304 1 110 LEU H 1 110 LEU HA 2.242 . 2.871 2.798 2.790 2.804 . 0 0 "[ . 1 .]" 1
1305 1 110 LEU H 1 110 LEU HB2 2.434 . 3.174 2.554 2.527 2.577 . 0 0 "[ . 1 .]" 1
1306 1 110 LEU H 1 110 LEU HB3 2.642 . 3.515 3.548 3.542 3.554 0.039 2 0 "[ . 1 .]" 1
1307 1 110 LEU H 1 110 LEU MD1 2.633 . 3.499 3.239 3.203 3.262 . 0 0 "[ . 1 .]" 1
1308 1 110 LEU H 1 110 LEU MD2 2.743 . 3.683 3.329 3.298 3.362 . 0 0 "[ . 1 .]" 1
1309 1 110 LEU H 1 110 LEU HG 2.399 . 3.118 1.961 1.914 2.004 . 0 0 "[ . 1 .]" 1
1310 1 110 LEU H 1 111 ASP H 2.637 . 3.506 2.635 2.605 2.667 . 0 0 "[ . 1 .]" 1
1311 1 110 LEU HA 1 110 LEU HB2 2.401 . 3.122 3.014 3.011 3.020 . 0 0 "[ . 1 .]" 1
1312 1 110 LEU HA 1 110 LEU HB3 2.418 . 3.149 2.433 2.423 2.442 . 0 0 "[ . 1 .]" 1
1313 1 110 LEU HA 1 110 LEU MD1 3.380 . 4.808 3.927 3.910 3.939 . 0 0 "[ . 1 .]" 1
1314 1 110 LEU HA 1 110 LEU MD2 2.126 . 2.691 2.217 2.156 2.255 . 0 0 "[ . 1 .]" 1
1315 1 110 LEU HA 1 110 LEU HG 2.455 . 3.209 3.001 2.967 3.016 . 0 0 "[ . 1 .]" 1
1316 1 110 LEU HA 1 111 ASP H 2.939 . 4.019 3.507 3.499 3.521 . 0 0 "[ . 1 .]" 1
1317 1 110 LEU HA 1 113 ILE H 2.990 . 4.108 3.337 3.258 3.440 . 0 0 "[ . 1 .]" 1
1318 1 110 LEU HA 1 113 ILE HB 2.420 . 3.152 2.365 2.307 2.429 . 0 0 "[ . 1 .]" 1
1319 1 110 LEU HA 1 113 ILE MD 2.359 . 3.054 2.913 2.841 2.956 . 0 0 "[ . 1 .]" 1
1320 1 110 LEU HA 1 113 ILE HG12 3.368 . 4.786 4.719 4.668 4.783 . 0 0 "[ . 1 .]" 1
1321 1 110 LEU HA 1 113 ILE MG 3.236 . 4.545 3.773 3.740 3.820 . 0 0 "[ . 1 .]" 1
1322 1 110 LEU HA 1 114 PHE H 3.465 . 4.966 3.738 3.626 3.890 . 0 0 "[ . 1 .]" 1
1323 1 110 LEU HB2 1 110 LEU MD1 2.152 . 2.731 2.215 2.195 2.237 . 0 0 "[ . 1 .]" 1
1324 1 110 LEU HB2 1 110 LEU MD2 2.716 . 3.638 3.160 3.156 3.166 . 0 0 "[ . 1 .]" 1
1325 1 110 LEU HB2 1 110 LEU HG 2.168 . 2.755 2.567 2.556 2.574 . 0 0 "[ . 1 .]" 1
1326 1 110 LEU HB2 1 111 ASP H 2.480 . 3.249 2.470 2.436 2.516 . 0 0 "[ . 1 .]" 1
1327 1 110 LEU HB2 1 112 TRP H 3.484 . 5.001 5.024 4.969 5.061 0.060 9 0 "[ . 1 .]" 1
1328 1 110 LEU HB3 1 110 LEU MD1 2.524 . 3.320 2.508 2.498 2.517 . 0 0 "[ . 1 .]" 1
1329 1 110 LEU HB3 1 110 LEU MD2 2.432 . 3.171 2.245 2.235 2.260 . 0 0 "[ . 1 .]" 1
1330 1 110 LEU HB3 1 110 LEU HG 2.346 . 3.034 3.003 3.000 3.008 . 0 0 "[ . 1 .]" 1
1331 1 110 LEU HB3 1 111 ASP H 2.776 . 3.739 3.650 3.591 3.687 . 0 0 "[ . 1 .]" 1
1332 1 110 LEU MD1 1 110 LEU HG 1.933 . 2.400 2.125 2.121 2.129 . 0 0 "[ . 1 .]" 1
1333 1 110 LEU MD1 1 111 ASP H 3.127 . 4.349 4.127 4.109 4.155 . 0 0 "[ . 1 .]" 1
1334 1 110 LEU MD2 1 110 LEU HG 2.067 . 2.601 2.124 2.121 2.127 . 0 0 "[ . 1 .]" 1
1335 1 110 LEU MD2 1 113 ILE H 3.854 . 5.711 5.068 4.995 5.165 . 0 0 "[ . 1 .]" 1
1336 1 110 LEU MD2 1 113 ILE HB 3.126 . 4.347 3.719 3.648 3.850 . 0 0 "[ . 1 .]" 1
1337 1 110 LEU MD2 1 113 ILE MD 2.381 . 3.090 2.924 2.887 2.974 . 0 0 "[ . 1 .]" 1
1338 1 110 LEU HG 1 111 ASP H 3.210 . 4.498 4.079 4.042 4.119 . 0 0 "[ . 1 .]" 1
1339 1 110 LEU HG 1 113 ILE MD 3.164 . 4.416 4.236 4.214 4.270 . 0 0 "[ . 1 .]" 1
1340 1 111 ASP H 1 111 ASP HA 2.304 . 2.968 2.781 2.772 2.791 . 0 0 "[ . 1 .]" 1
1341 1 111 ASP H 1 111 ASP HB2 2.318 . 2.990 2.237 2.160 2.294 . 0 0 "[ . 1 .]" 1
1342 1 111 ASP H 1 111 ASP HB3 2.417 . 3.147 2.862 2.769 2.969 . 0 0 "[ . 1 .]" 1
1343 1 111 ASP H 1 112 TRP H 2.681 . 3.580 2.771 2.727 2.803 . 0 0 "[ . 1 .]" 1
1344 1 111 ASP H 1 113 ILE HB 3.462 . 4.960 5.045 5.014 5.069 0.109 10 0 "[ . 1 .]" 1
1345 1 111 ASP HA 1 111 ASP HB2 2.281 . 2.932 2.643 2.594 2.699 . 0 0 "[ . 1 .]" 1
1346 1 111 ASP HA 1 111 ASP HB3 2.273 . 2.919 2.993 2.980 3.007 0.088 13 0 "[ . 1 .]" 1
1347 1 111 ASP HA 1 112 TRP H 2.954 . 4.045 3.511 3.499 3.527 . 0 0 "[ . 1 .]" 1
1348 1 111 ASP HA 1 114 PHE H 2.970 . 4.072 3.679 3.560 3.762 . 0 0 "[ . 1 .]" 1
1349 1 111 ASP HA 1 114 PHE HB2 2.727 . 3.656 3.446 2.436 3.709 0.053 7 0 "[ . 1 .]" 1
1350 1 111 ASP HA 1 114 PHE HB3 2.372 . 3.076 3.079 2.715 3.821 0.745 10 2 "[ . +- .]" 1
1351 1 111 ASP HB2 1 112 TRP H 2.783 . 3.751 3.381 3.314 3.437 . 0 0 "[ . 1 .]" 1
1352 1 111 ASP HB2 1 112 TRP HB2 3.548 . 5.122 5.237 5.199 5.285 0.163 9 0 "[ . 1 .]" 1
1353 1 111 ASP HB3 1 112 TRP H 2.576 . 3.406 2.230 2.100 2.382 . 0 0 "[ . 1 .]" 1
1354 1 111 ASP HB3 1 112 TRP HA 3.043 . 4.201 3.833 3.799 3.854 . 0 0 "[ . 1 .]" 1
1355 1 111 ASP HB3 1 112 TRP HB2 2.874 . 3.906 3.692 3.552 3.836 . 0 0 "[ . 1 .]" 1
1356 1 111 ASP HB3 1 112 TRP HB3 3.431 . 4.903 4.648 4.459 4.765 . 0 0 "[ . 1 .]" 1
1357 1 112 TRP H 1 112 TRP HA 2.576 . 3.406 2.800 2.791 2.817 . 0 0 "[ . 1 .]" 1
1358 1 112 TRP H 1 112 TRP HB2 2.492 . 3.268 2.350 2.297 2.398 . 0 0 "[ . 1 .]" 1
1359 1 112 TRP H 1 112 TRP HB3 2.490 . 3.265 2.598 2.524 2.684 . 0 0 "[ . 1 .]" 1
1360 1 112 TRP HA 1 112 TRP HB2 2.152 . 2.731 2.516 2.484 2.554 . 0 0 "[ . 1 .]" 1
1361 1 112 TRP HA 1 112 TRP HB3 2.285 . 2.937 3.014 3.011 3.017 0.080 14 0 "[ . 1 .]" 1
1362 1 112 TRP HA 1 115 SER H 2.962 . 4.058 3.575 3.290 4.035 . 0 0 "[ . 1 .]" 1
1363 1 112 TRP HB2 1 113 ILE H 2.773 . 3.734 3.653 3.615 3.716 . 0 0 "[ . 1 .]" 1
1364 1 112 TRP HB3 1 113 ILE H 2.788 . 3.760 2.401 2.312 2.573 . 0 0 "[ . 1 .]" 1
1365 1 113 ILE H 1 113 ILE HA 2.675 . 3.570 2.809 2.791 2.839 . 0 0 "[ . 1 .]" 1
1366 1 113 ILE H 1 113 ILE HB 2.381 . 3.090 2.456 2.409 2.507 . 0 0 "[ . 1 .]" 1
1367 1 113 ILE H 1 113 ILE MD 3.073 . 4.253 3.658 3.631 3.691 . 0 0 "[ . 1 .]" 1
1368 1 113 ILE H 1 113 ILE HG12 2.940 . 4.020 3.336 3.295 3.441 . 0 0 "[ . 1 .]" 1
1369 1 113 ILE H 1 113 ILE HG13 2.545 . 3.355 2.192 2.141 2.275 . 0 0 "[ . 1 .]" 1
1370 1 113 ILE H 1 113 ILE MG 3.163 . 4.413 3.735 3.725 3.749 . 0 0 "[ . 1 .]" 1
1371 1 113 ILE H 1 114 PHE H 2.670 . 3.561 2.641 2.566 2.705 . 0 0 "[ . 1 .]" 1
1372 1 113 ILE HA 1 113 ILE HB 2.776 . 3.739 3.021 3.015 3.026 . 0 0 "[ . 1 .]" 1
1373 1 113 ILE HA 1 113 ILE MD 3.432 . 4.905 3.766 3.747 3.793 . 0 0 "[ . 1 .]" 1
1374 1 113 ILE HA 1 113 ILE HG12 2.455 . 3.209 2.430 2.403 2.479 . 0 0 "[ . 1 .]" 1
1375 1 113 ILE HA 1 113 ILE HG13 2.608 . 3.458 3.052 3.004 3.090 . 0 0 "[ . 1 .]" 1
1376 1 113 ILE HA 1 113 ILE MG 2.395 . 3.112 2.433 2.405 2.457 . 0 0 "[ . 1 .]" 1
1377 1 113 ILE HA 1 114 PHE H 3.218 . 4.512 3.527 3.507 3.538 . 0 0 "[ . 1 .]" 1
1378 1 113 ILE HA 1 114 PHE HA 3.463 . 4.962 4.808 4.755 4.867 . 0 0 "[ . 1 .]" 1
1379 1 113 ILE HA 1 116 HIS H 2.943 . 4.025 3.632 3.336 3.889 . 0 0 "[ . 1 .]" 1
1380 1 113 ILE HA 1 116 HIS HB2 2.900 . 3.951 3.667 2.880 4.868 0.917 7 1 "[ . + 1 .]" 1
1381 1 113 ILE HB 1 113 ILE MD 4.359 . 6.734 2.543 2.531 2.555 . 0 0 "[ . 1 .]" 1
1382 1 113 ILE HB 1 113 ILE HG12 2.716 . 3.638 3.029 3.025 3.034 . 0 0 "[ . 1 .]" 1
1383 1 113 ILE HB 1 113 ILE HG13 2.466 . 3.226 2.436 2.423 2.451 . 0 0 "[ . 1 .]" 1
1384 1 113 ILE HB 1 113 ILE MG 2.167 . 2.754 2.131 2.125 2.134 . 0 0 "[ . 1 .]" 1
1385 1 113 ILE HB 1 114 PHE H 2.697 . 3.606 2.692 2.504 2.861 . 0 0 "[ . 1 .]" 1
1386 1 113 ILE MD 1 113 ILE HG12 2.232 . 2.855 2.084 2.076 2.091 . 0 0 "[ . 1 .]" 1
1387 1 113 ILE MD 1 113 ILE HG13 2.290 . 2.945 2.086 2.077 2.091 . 0 0 "[ . 1 .]" 1
1388 1 113 ILE HG12 1 113 ILE MG 3.034 . 4.185 2.438 2.426 2.453 . 0 0 "[ . 1 .]" 1
1389 1 113 ILE HG13 1 113 ILE MG 3.078 . 4.262 3.202 3.197 3.210 . 0 0 "[ . 1 .]" 1
1390 1 113 ILE MG 1 114 PHE H 3.022 . 4.164 3.418 3.257 3.549 . 0 0 "[ . 1 .]" 1
1391 1 114 PHE H 1 114 PHE HA 2.587 . 3.423 2.820 2.790 2.842 . 0 0 "[ . 1 .]" 1
1392 1 114 PHE H 1 114 PHE HB2 2.622 . 3.481 2.418 2.087 2.563 . 0 0 "[ . 1 .]" 1
1393 1 114 PHE H 1 114 PHE HB3 2.444 . 3.191 2.690 2.473 3.488 0.297 10 0 "[ . 1 .]" 1
1394 1 114 PHE H 1 115 SER H 2.736 . 3.671 2.581 2.523 2.722 . 0 0 "[ . 1 .]" 1
1395 1 114 PHE H 1 116 HIS H 3.464 . 4.964 3.941 3.811 4.106 . 0 0 "[ . 1 .]" 1
1396 1 114 PHE HA 1 114 PHE HB2 2.417 . 3.147 2.560 2.460 2.979 . 0 0 "[ . 1 .]" 1
1397 1 114 PHE HA 1 114 PHE HB3 2.656 . 3.538 2.986 2.678 3.031 . 0 0 "[ . 1 .]" 1
1398 1 114 PHE HA 1 115 SER H 3.304 . 4.668 3.460 3.429 3.499 . 0 0 "[ . 1 .]" 1
1399 1 114 PHE HA 1 116 HIS H 2.557 . 3.375 3.445 3.345 3.554 0.179 8 0 "[ . 1 .]" 1
1400 1 114 PHE HB2 1 115 SER H 2.970 . 4.072 3.847 2.863 4.074 0.002 7 0 "[ . 1 .]" 1
1401 1 114 PHE HB3 1 115 SER H 2.991 . 4.109 2.948 2.722 3.402 . 0 0 "[ . 1 .]" 1
1402 1 114 PHE HB3 1 115 SER HB2 3.409 . 4.861 4.714 4.027 5.728 0.867 1 2 "[+ . - .]" 1
1403 1 115 SER H 1 115 SER HA 2.646 . 3.521 2.876 2.834 2.896 . 0 0 "[ . 1 .]" 1
1404 1 115 SER H 1 115 SER HB2 2.809 . 3.796 2.530 2.378 3.574 . 0 0 "[ . 1 .]" 1
1405 1 115 SER H 1 115 SER HB3 2.761 . 3.714 3.056 2.455 3.608 . 0 0 "[ . 1 .]" 1
1406 1 115 SER H 1 116 HIS H 2.511 . 3.299 2.506 2.390 2.609 . 0 0 "[ . 1 .]" 1
1407 1 115 SER HA 1 115 SER HB2 2.322 . 2.996 2.755 2.461 3.023 0.027 8 0 "[ . 1 .]" 1
1408 1 115 SER HA 1 115 SER HB3 2.355 . 3.048 2.726 2.385 3.028 . 0 0 "[ . 1 .]" 1
1409 1 115 SER HA 1 116 HIS H 2.747 . 3.690 3.232 3.101 3.398 . 0 0 "[ . 1 .]" 1
1410 1 115 SER HA 1 117 PRO HD2 2.946 . 4.031 4.102 4.047 4.160 0.129 5 0 "[ . 1 .]" 1
1411 1 115 SER HA 1 117 PRO HD3 2.742 . 3.682 3.570 3.356 3.772 0.090 8 0 "[ . 1 .]" 1
1412 1 115 SER HB2 1 116 HIS H 2.946 . 4.031 3.910 3.409 4.353 0.322 13 0 "[ . 1 .]" 1
1413 1 115 SER HB3 1 116 HIS H 3.048 . 4.209 3.909 3.158 4.334 0.125 10 0 "[ . 1 .]" 1
1414 1 116 HIS H 1 116 HIS HA 2.594 . 3.435 2.935 2.918 2.963 . 0 0 "[ . 1 .]" 1
1415 1 116 HIS H 1 116 HIS HB2 2.622 . 3.481 2.964 2.658 3.232 . 0 0 "[ . 1 .]" 1
1416 1 116 HIS H 1 116 HIS HB3 2.917 . 3.981 3.261 2.590 3.898 . 0 0 "[ . 1 .]" 1
1417 1 116 HIS H 1 117 PRO HD2 3.178 . 4.441 3.601 3.429 3.836 . 0 0 "[ . 1 .]" 1
1418 1 116 HIS H 1 117 PRO HD3 2.841 . 3.850 3.403 3.123 3.725 . 0 0 "[ . 1 .]" 1
1419 1 116 HIS HA 1 116 HIS HB2 2.560 . 3.379 2.741 2.452 3.038 . 0 0 "[ . 1 .]" 1
1420 1 116 HIS HA 1 116 HIS HB3 2.508 . 3.294 2.797 2.495 3.041 . 0 0 "[ . 1 .]" 1
1421 1 116 HIS HA 1 117 PRO HD2 2.315 . 2.985 1.893 1.783 1.954 . 0 0 "[ . 1 .]" 1
1422 1 116 HIS HA 1 117 PRO HD3 2.429 . 3.167 3.216 3.130 3.267 0.100 14 0 "[ . 1 .]" 1
1423 1 116 HIS HA 1 117 PRO HG2 2.771 . 3.731 3.726 3.565 3.790 0.059 13 0 "[ . 1 .]" 1
1424 1 116 HIS HA 1 120 GLU QG 3.094 . 4.291 3.803 2.417 4.278 . 0 0 "[ . 1 .]" 1
1425 1 116 HIS HB2 1 117 PRO HD2 3.422 . 4.885 4.488 4.309 4.663 . 0 0 "[ . 1 .]" 1
1426 1 116 HIS HB3 1 117 PRO HD2 3.128 . 4.351 4.447 4.084 4.707 0.356 3 0 "[ . 1 .]" 1
1427 1 117 PRO HA 1 117 PRO HB3 2.187 . 2.785 2.261 2.250 2.273 . 0 0 "[ . 1 .]" 1
1428 1 117 PRO HA 1 117 PRO HD2 2.910 . 3.969 3.974 3.856 4.010 0.041 1 0 "[ . 1 .]" 1
1429 1 117 PRO HA 1 117 PRO HD3 2.373 . 3.077 3.079 2.801 3.200 0.123 7 0 "[ . 1 .]" 1
1430 1 117 PRO HA 1 117 PRO HG2 2.832 . 3.834 3.852 3.830 3.869 0.035 4 0 "[ . 1 .]" 1
1431 1 117 PRO HA 1 118 GLU H 2.594 . 3.435 3.504 3.489 3.528 0.093 13 0 "[ . 1 .]" 1
1432 1 117 PRO HA 1 119 PHE H 3.772 . 5.551 5.403 5.181 5.628 0.077 14 0 "[ . 1 .]" 1
1433 1 117 PRO HB2 1 117 PRO HD2 3.058 . 4.227 4.055 4.026 4.096 . 0 0 "[ . 1 .]" 1
1434 1 117 PRO HB2 1 117 PRO HD3 2.781 . 3.747 3.807 3.768 3.837 0.090 8 0 "[ . 1 .]" 1
1435 1 117 PRO HB2 1 117 PRO HG2 1.964 . 2.446 2.299 2.280 2.325 . 0 0 "[ . 1 .]" 1
1436 1 117 PRO HB2 1 117 PRO HG3 2.255 . 2.891 2.700 2.667 2.760 . 0 0 "[ . 1 .]" 1
1437 1 117 PRO HB2 1 118 GLU H 3.104 . 4.309 2.215 1.911 2.834 . 0 0 "[ . 1 .]" 1
1438 1 117 PRO HB2 1 120 GLU H 2.625 . 3.486 3.536 3.451 3.604 0.118 15 0 "[ . 1 .]" 1
1439 1 117 PRO HB3 1 117 PRO HD2 2.907 . 3.963 3.905 3.848 3.974 0.011 12 0 "[ . 1 .]" 1
1440 1 117 PRO HB3 1 117 PRO HD3 2.740 . 3.678 2.905 2.803 3.012 . 0 0 "[ . 1 .]" 1
1441 1 117 PRO HB3 1 118 GLU H 3.121 . 4.338 3.607 3.441 3.973 . 0 0 "[ . 1 .]" 1
1442 1 117 PRO HD2 1 117 PRO HG2 2.438 . 3.181 2.352 2.327 2.388 . 0 0 "[ . 1 .]" 1
1443 1 117 PRO HD2 1 117 PRO HG3 2.308 . 2.974 2.645 2.627 2.661 . 0 0 "[ . 1 .]" 1
1444 1 117 PRO HD2 1 118 GLU H 3.337 . 4.729 3.686 3.282 4.120 . 0 0 "[ . 1 .]" 1
1445 1 117 PRO HD3 1 117 PRO HG2 2.430 . 3.168 3.006 2.989 3.025 . 0 0 "[ . 1 .]" 1
1446 1 117 PRO HD3 1 117 PRO HG3 2.198 . 2.802 2.348 2.327 2.377 . 0 0 "[ . 1 .]" 1
1447 1 117 PRO HG2 1 118 GLU H 3.156 . 4.401 2.239 1.942 2.679 . 0 0 "[ . 1 .]" 1
1448 1 117 PRO HG2 1 119 PHE HA 3.441 . 4.921 5.000 4.908 5.105 0.184 5 0 "[ . 1 .]" 1
1449 1 117 PRO HG3 1 118 GLU H 3.073 . 4.253 3.730 3.528 3.999 . 0 0 "[ . 1 .]" 1
1450 1 118 GLU H 1 118 GLU HA 2.651 . 3.529 2.815 2.752 2.862 . 0 0 "[ . 1 .]" 1
1451 1 118 GLU H 1 118 GLU HB2 2.817 . 3.809 3.925 3.863 3.996 0.187 8 0 "[ . 1 .]" 1
1452 1 118 GLU H 1 118 GLU HB3 2.749 . 3.694 3.638 3.526 3.719 0.025 3 0 "[ . 1 .]" 1
1453 1 118 GLU H 1 118 GLU HG2 3.112 . 4.322 2.736 2.387 2.959 . 0 0 "[ . 1 .]" 1
1454 1 118 GLU H 1 118 GLU HG3 3.043 . 4.201 3.229 2.915 3.575 . 0 0 "[ . 1 .]" 1
1455 1 118 GLU H 1 119 PHE H 3.041 . 4.197 2.123 1.877 2.395 0.008 6 0 "[ . 1 .]" 1
1456 1 118 GLU HA 1 118 GLU HB2 2.023 . 2.535 2.541 2.501 2.583 0.048 15 0 "[ . 1 .]" 1
1457 1 118 GLU HA 1 118 GLU HB3 2.483 . 3.254 2.354 2.331 2.380 . 0 0 "[ . 1 .]" 1
1458 1 118 GLU HA 1 118 GLU HG2 2.658 . 3.541 3.640 3.564 3.690 0.149 13 0 "[ . 1 .]" 1
1459 1 118 GLU HA 1 119 PHE H 2.634 . 3.501 3.531 3.504 3.556 0.055 1 0 "[ . 1 .]" 1
1460 1 118 GLU HB2 1 119 PHE HA 3.374 . 4.797 4.710 4.385 4.873 0.076 12 0 "[ . 1 .]" 1
1461 1 118 GLU HG3 1 119 PHE HA 3.258 . 4.585 4.302 4.060 4.586 0.001 9 0 "[ . 1 .]" 1
1462 1 119 PHE H 1 119 PHE HA 2.745 . 3.687 2.912 2.874 2.940 . 0 0 "[ . 1 .]" 1
1463 1 119 PHE H 1 119 PHE HB3 2.431 . 3.170 2.866 2.592 3.103 . 0 0 "[ . 1 .]" 1
1464 1 119 PHE HA 1 119 PHE HB3 2.104 . 2.658 2.986 2.475 3.031 0.373 11 0 "[ . 1 .]" 1
1465 1 119 PHE HA 1 120 GLU H 2.325 . 3.001 3.015 2.677 3.403 0.402 15 0 "[ . 1 .]" 1
1466 1 119 PHE HA 1 120 GLU QG 3.199 . 4.478 3.815 3.275 4.442 . 0 0 "[ . 1 .]" 1
1467 1 119 PHE HB3 1 120 GLU H 3.205 . 4.489 3.861 2.519 4.499 0.010 6 0 "[ . 1 .]" 1
1468 1 120 GLU H 1 120 GLU HA 1.961 . 2.442 2.272 2.242 2.518 0.076 15 0 "[ . 1 .]" 1
1469 1 120 GLU H 1 120 GLU HB2 2.641 . 3.513 3.506 3.363 3.582 0.069 10 0 "[ . 1 .]" 1
1470 1 120 GLU H 1 120 GLU HB3 2.946 . 4.031 4.056 3.974 4.119 0.088 6 0 "[ . 1 .]" 1
1471 1 120 GLU H 1 120 GLU QG 2.878 . 3.914 2.832 2.537 3.852 . 0 0 "[ . 1 .]" 1
1472 1 120 GLU HA 1 120 GLU HB2 2.418 . 3.149 3.008 2.976 3.020 . 0 0 "[ . 1 .]" 1
1473 1 120 GLU HA 1 120 GLU HB3 2.216 . 2.830 2.504 2.408 2.684 . 0 0 "[ . 1 .]" 1
1474 1 120 GLU HA 1 120 GLU QG 2.131 . 2.698 2.663 2.284 2.891 0.193 10 0 "[ . 1 .]" 1
1475 1 120 GLU HA 1 121 GLU H 2.285 . 2.938 2.571 2.140 2.922 . 0 0 "[ . 1 .]" 1
1476 1 120 GLU HB2 1 120 GLU QG 2.165 . 2.751 2.201 2.144 2.424 . 0 0 "[ . 1 .]" 1
1477 1 120 GLU HB3 1 120 GLU QG 2.300 . 2.961 2.364 2.146 2.419 . 0 0 "[ . 1 .]" 1
1478 1 120 GLU HB3 1 121 GLU H 2.780 . 3.746 2.481 1.759 4.152 0.406 3 0 "[ . 1 .]" 1
1479 1 121 GLU H 1 121 GLU QB 2.829 . 3.468 2.824 2.333 3.201 . 0 0 "[ . 1 .]" 1
1480 1 121 GLU H 1 121 GLU QG 2.839 . 3.846 2.762 1.948 3.853 0.007 7 0 "[ . 1 .]" 1
1481 1 121 GLU HA 1 121 GLU QB 2.424 . 3.159 2.183 2.159 2.309 . 0 0 "[ . 1 .]" 1
1482 1 121 GLU HA 1 121 GLU QG 2.834 . 3.838 3.369 2.549 3.511 . 0 0 "[ . 1 .]" 1
1483 1 121 GLU HA 1 122 ASP H 2.304 . 2.968 2.380 2.086 2.745 . 0 0 "[ . 1 .]" 1
1484 1 121 GLU QB 1 121 GLU QG 2.303 . 2.606 2.034 1.996 2.082 . 0 0 "[ . 1 .]" 1
1485 1 121 GLU QB 1 122 ASP H 3.178 . 4.121 2.538 1.837 3.731 0.078 6 0 "[ . 1 .]" 1
1486 1 121 GLU QB 1 122 ASP HA 3.158 . 4.405 4.264 3.913 4.442 0.037 8 0 "[ . 1 .]" 1
1487 1 121 GLU QG 1 122 ASP H 3.489 . 5.011 3.497 2.735 4.376 . 0 0 "[ . 1 .]" 1
1488 1 121 GLU QG 1 122 ASP HA 3.142 . 4.376 4.037 3.174 4.352 . 0 0 "[ . 1 .]" 1
1489 1 122 ASP H 1 122 ASP HA 2.623 . 3.483 2.735 2.248 2.944 . 0 0 "[ . 1 .]" 1
1490 1 122 ASP H 1 122 ASP HB2 2.931 . 4.005 3.340 2.574 3.936 . 0 0 "[ . 1 .]" 1
1491 1 122 ASP H 1 122 ASP HB3 2.768 . 3.726 3.089 2.549 3.643 . 0 0 "[ . 1 .]" 1
1492 1 122 ASP HA 1 122 ASP HB2 2.521 . 3.316 2.445 2.331 2.521 . 0 0 "[ . 1 .]" 1
1493 1 122 ASP HA 1 122 ASP HB3 2.167 . 2.754 2.851 2.452 3.032 0.278 5 0 "[ . 1 .]" 1
1494 1 122 ASP HA 1 123 SER H 2.620 . 3.478 2.577 2.093 3.555 0.077 15 0 "[ . 1 .]" 1
1495 1 123 SER H 1 123 SER HA 2.950 . 4.038 2.830 2.284 2.944 . 0 0 "[ . 1 .]" 1
1496 1 123 SER H 1 123 SER HB3 2.588 . 3.425 2.968 2.564 3.787 0.362 6 0 "[ . 1 .]" 1
1497 1 123 SER HA 1 123 SER HB2 1.992 . 2.488 2.637 2.501 3.031 0.543 4 3 "[ +.* 1 -]" 1
1498 1 123 SER HA 1 123 SER HB3 2.546 . 3.356 2.641 2.309 3.031 . 0 0 "[ . 1 .]" 1
1499 1 123 SER HA 1 124 ASP H 2.709 . 3.626 2.650 2.124 3.576 . 0 0 "[ . 1 .]" 1
1500 1 124 ASP H 1 124 ASP HA 2.630 . 3.494 2.845 2.268 2.944 . 0 0 "[ . 1 .]" 1
1501 1 124 ASP H 1 124 ASP HB2 2.782 . 3.749 3.316 2.393 3.987 0.238 2 0 "[ . 1 .]" 1
1502 1 124 ASP H 1 124 ASP HB3 3.225 . 4.525 2.885 2.443 3.579 . 0 0 "[ . 1 .]" 1
1503 1 124 ASP H 1 125 PHE H 3.168 . 4.423 3.440 2.107 4.534 0.111 11 0 "[ . 1 .]" 1
1504 1 124 ASP HA 1 124 ASP HB2 2.804 . 3.787 2.490 2.371 3.010 . 0 0 "[ . 1 .]" 1
1505 1 124 ASP HA 1 124 ASP HB3 1.914 . 2.372 2.677 2.332 3.026 0.654 5 6 "[ +-* *1 * *]" 1
1506 1 124 ASP HA 1 125 PHE H 2.812 . 3.800 2.762 2.130 3.574 . 0 0 "[ . 1 .]" 1
1507 1 125 PHE H 1 125 PHE HA 2.510 . 3.297 2.830 2.253 2.949 . 0 0 "[ . 1 .]" 1
1508 1 125 PHE H 1 125 PHE HB2 2.444 . 3.190 2.817 2.469 3.669 0.479 8 0 "[ . 1 .]" 1
1509 1 125 PHE H 1 125 PHE HB3 2.823 . 3.819 3.116 2.409 3.812 . 0 0 "[ . 1 .]" 1
1510 1 125 PHE H 1 126 VAL H 3.308 . 4.676 3.115 1.998 4.397 . 0 0 "[ . 1 .]" 1
1511 1 125 PHE HA 1 125 PHE HB2 2.366 . 3.066 2.666 2.430 3.032 . 0 0 "[ . 1 .]" 1
1512 1 125 PHE HA 1 125 PHE HB3 2.355 . 3.048 2.807 2.437 3.030 . 0 0 "[ . 1 .]" 1
1513 1 125 PHE HA 1 126 VAL H 2.864 . 3.890 2.736 2.131 3.544 . 0 0 "[ . 1 .]" 1
1514 1 126 VAL H 1 126 VAL MG2 3.338 . 4.731 3.000 1.970 3.921 . 0 0 "[ . 1 .]" 1
1515 1 126 VAL HA 1 126 VAL MG1 2.943 . 4.025 2.690 2.250 3.219 . 0 0 "[ . 1 .]" 1
1516 1 126 VAL HB 1 126 VAL MG1 2.817 . 3.809 2.127 2.124 2.133 . 0 0 "[ . 1 .]" 1
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