NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
454517 |
2yux   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2yux
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 1022
_Distance_constraint_stats_list.Viol_count 1788
_Distance_constraint_stats_list.Viol_total 4575.545
_Distance_constraint_stats_list.Viol_max 1.806
_Distance_constraint_stats_list.Viol_rms 0.0793
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0112
_Distance_constraint_stats_list.Viol_average_violations_only 0.1280
_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 10 ILE 0.033 0.026 3 0 "[ . 1 . 2]"
1 11 ASP 0.041 0.026 3 0 "[ . 1 . 2]"
1 12 ILE 6.312 0.266 13 0 "[ . 1 . 2]"
1 13 GLN 6.396 0.592 11 2 "[ -. 1+ . 2]"
1 14 ILE 4.877 0.395 13 0 "[ . 1 . 2]"
1 15 ILE 5.502 0.395 13 0 "[ . 1 . 2]"
1 16 ASP 1.261 0.667 8 1 "[ . + 1 . 2]"
1 17 ARG 5.338 1.189 14 4 "[- . * 1 +. * 2]"
1 18 PRO 0.049 0.021 14 0 "[ . 1 . 2]"
1 19 GLY 0.049 0.021 14 0 "[ . 1 . 2]"
1 20 PRO 0.412 0.229 18 0 "[ . 1 . 2]"
1 21 PRO 0.236 0.031 8 0 "[ . 1 . 2]"
1 22 GLN 0.927 0.086 11 0 "[ . 1 . 2]"
1 23 ILE 4.394 0.166 11 0 "[ . 1 . 2]"
1 24 VAL 2.110 0.165 9 0 "[ . 1 . 2]"
1 25 LYS 2.489 0.162 14 0 "[ . 1 . 2]"
1 26 ILE 22.264 1.291 17 19 "[**************-*+ **]"
1 27 GLU 0.064 0.016 17 0 "[ . 1 . 2]"
1 28 ASP 0.200 0.041 15 0 "[ . 1 . 2]"
1 29 VAL 1.217 0.076 13 0 "[ . 1 . 2]"
1 30 TRP 4.512 0.816 20 3 "[* -. 1 . +]"
1 31 GLY 0.886 0.373 15 0 "[ . 1 . 2]"
1 32 GLU 17.325 1.035 2 17 "[*+**-****1*** .*****]"
1 33 ASN 4.425 0.816 20 3 "[* -. 1 . +]"
1 34 VAL 3.335 0.115 15 0 "[ . 1 . 2]"
1 35 ALA 2.884 0.115 15 0 "[ . 1 . 2]"
1 36 LEU 0.927 0.203 18 0 "[ . 1 . 2]"
1 37 THR 3.545 0.162 14 0 "[ . 1 . 2]"
1 38 TRP 1.132 0.095 20 0 "[ . 1 . 2]"
1 39 THR 2.929 0.166 11 0 "[ . 1 . 2]"
1 40 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 PRO 0.079 0.020 17 0 "[ . 1 . 2]"
1 42 LYS 1.814 0.189 20 0 "[ . 1 . 2]"
1 43 ASP 0.988 0.189 20 0 "[ . 1 . 2]"
1 44 ASP 0.155 0.074 13 0 "[ . 1 . 2]"
1 45 GLY 0.157 0.074 7 0 "[ . 1 . 2]"
1 46 ASN 0.178 0.074 7 0 "[ . 1 . 2]"
1 47 ALA 1.523 0.379 10 0 "[ . 1 . 2]"
1 48 ALA 0.272 0.113 14 0 "[ . 1 . 2]"
1 49 ILE 0.493 0.074 13 0 "[ . 1 . 2]"
1 50 THR 0.062 0.036 20 0 "[ . 1 . 2]"
1 51 GLY 0.017 0.010 8 0 "[ . 1 . 2]"
1 52 TYR 0.053 0.022 14 0 "[ . 1 . 2]"
1 53 THR 2.723 0.313 5 0 "[ . 1 . 2]"
1 54 ILE 8.521 0.481 17 0 "[ . 1 . 2]"
1 55 GLN 23.805 1.435 15 19 "[ *************+***-*]"
1 56 LYS 0.027 0.012 16 0 "[ . 1 . 2]"
1 57 ALA 0.833 0.170 7 0 "[ . 1 . 2]"
1 58 ASP 2.617 0.209 14 0 "[ . 1 . 2]"
1 59 LYS 5.796 1.002 5 5 "[ + * ** . -]"
1 60 LYS 5.055 0.390 19 0 "[ . 1 . 2]"
1 61 SER 2.951 0.188 16 0 "[ . 1 . 2]"
1 62 MET 5.257 0.680 13 2 "[ . - 1 + . 2]"
1 63 GLU 9.701 0.671 7 8 "[*-* .*+ * * . * 2]"
1 64 TRP 9.265 0.671 7 8 "[*-* .*+ * * . * 2]"
1 65 PHE 0.427 0.099 5 0 "[ . 1 . 2]"
1 66 THR 23.653 1.435 15 19 "[ *************+***-*]"
1 67 VAL 0.827 0.472 14 0 "[ . 1 . 2]"
1 68 ILE 1.719 0.352 16 0 "[ . 1 . 2]"
1 69 GLU 4.399 0.352 16 0 "[ . 1 . 2]"
1 70 HIS 5.094 0.299 9 0 "[ . 1 . 2]"
1 71 TYR 1.074 0.214 12 0 "[ . 1 . 2]"
1 72 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 73 ARG 0.334 0.214 12 0 "[ . 1 . 2]"
1 74 THR 0.112 0.065 7 0 "[ . 1 . 2]"
1 75 SER 0.187 0.098 12 0 "[ . 1 . 2]"
1 76 ALA 0.158 0.021 18 0 "[ . 1 . 2]"
1 77 THR 0.011 0.007 14 0 "[ . 1 . 2]"
1 78 ILE 0.337 0.032 16 0 "[ . 1 . 2]"
1 79 THR 2.422 0.278 9 0 "[ . 1 . 2]"
1 80 GLU 1.388 0.278 9 0 "[ . 1 . 2]"
1 81 LEU 11.892 0.634 16 11 "[* **.*- ** **+ * 2]"
1 82 VAL 21.082 1.806 20 18 "[*********** *-****+]"
1 83 ILE 0.383 0.073 8 0 "[ . 1 . 2]"
1 84 GLY 0.092 0.034 16 0 "[ . 1 . 2]"
1 85 ASN 23.746 1.806 20 18 "[*********** *-****+]"
1 86 GLU 0.227 0.060 18 0 "[ . 1 . 2]"
1 87 TYR 0.481 0.113 13 0 "[ . 1 . 2]"
1 88 TYR 8.466 1.002 5 5 "[ + * ** . -]"
1 89 PHE 0.301 0.023 14 0 "[ . 1 . 2]"
1 90 ARG 1.276 0.653 11 1 "[ . 1+ . 2]"
1 91 VAL 0.181 0.041 5 0 "[ . 1 . 2]"
1 92 PHE 0.242 0.038 14 0 "[ . 1 . 2]"
1 93 SER 0.032 0.022 2 0 "[ . 1 . 2]"
1 94 GLU 0.988 0.255 20 0 "[ . 1 . 2]"
1 95 ASN 0.715 0.196 11 0 "[ . 1 . 2]"
1 96 MET 4.242 0.905 2 3 "[ + . -1 . * 2]"
1 97 CYS 2.670 0.905 2 3 "[ + . -1 . * 2]"
1 98 GLY 5.280 1.189 14 4 "[- . * 1 +. * 2]"
1 99 LEU 1.766 0.263 14 0 "[ . 1 . 2]"
1 100 SER 0.413 0.157 1 0 "[ . 1 . 2]"
1 101 GLU 0.326 0.157 1 0 "[ . 1 . 2]"
1 102 ASP 2.226 0.297 12 0 "[ . 1 . 2]"
1 103 ALA 2.387 0.297 12 0 "[ . 1 . 2]"
1 104 THR 0.662 0.229 18 0 "[ . 1 . 2]"
1 105 MET 5.250 0.344 17 0 "[ . 1 . 2]"
1 106 THR 1.231 0.101 18 0 "[ . 1 . 2]"
1 107 LYS 1.038 0.247 8 0 "[ . 1 . 2]"
1 108 GLU 2.741 0.428 8 0 "[ . 1 . 2]"
1 109 SER 2.285 0.414 14 0 "[ . 1 . 2]"
1 110 ALA 21.601 1.291 17 19 "[**************-*+ **]"
1 111 VAL 1.120 0.218 4 0 "[ . 1 . 2]"
1 112 ILE 15.713 1.035 2 17 "[*+**-****1*** .*****]"
1 113 ALA 1.733 0.204 17 0 "[ . 1 . 2]"
1 114 ARG 1.742 0.292 17 0 "[ . 1 . 2]"
1 115 ASP 0.524 0.292 17 0 "[ . 1 . 2]"
1 116 GLY 0.263 0.258 6 0 "[ . 1 . 2]"
1 117 LYS 5.444 0.813 5 4 "[ - + 1 . **2]"
1 118 ILE 2.510 0.351 17 0 "[ . 1 . 2]"
1 119 TYR 5.458 0.602 12 2 "[ . 1 + . -2]"
1 120 LYS 4.667 0.602 12 2 "[ . 1 + . -2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 10 ILE HA 1 10 ILE MG . . 3.250 2.573 2.095 3.216 . 0 0 "[ . 1 . 2]" 1
2 1 10 ILE HA 1 11 ASP H . . 3.030 2.298 2.178 2.624 . 0 0 "[ . 1 . 2]" 1
3 1 10 ILE HB 1 11 ASP H . . 4.530 4.007 2.473 4.556 0.026 3 0 "[ . 1 . 2]" 1
4 1 10 ILE MG 1 11 ASP H . . 4.530 3.757 2.440 4.326 . 0 0 "[ . 1 . 2]" 1
5 1 11 ASP H 1 11 ASP HB3 . . 4.140 3.596 3.005 4.086 . 0 0 "[ . 1 . 2]" 1
6 1 11 ASP H 1 12 ILE H . . 4.420 4.072 2.992 4.427 0.007 13 0 "[ . 1 . 2]" 1
7 1 11 ASP HA 1 12 ILE H . . 2.990 2.371 2.255 2.557 . 0 0 "[ . 1 . 2]" 1
8 1 11 ASP HB3 1 12 ILE H . . 4.590 3.629 2.372 4.404 . 0 0 "[ . 1 . 2]" 1
9 1 12 ILE H 1 12 ILE HB . . 3.180 2.759 2.301 3.282 0.102 10 0 "[ . 1 . 2]" 1
10 1 12 ILE H 1 12 ILE HG13 . . 3.650 2.340 2.031 2.441 . 0 0 "[ . 1 . 2]" 1
11 1 12 ILE H 1 12 ILE MG . . 3.810 3.828 3.681 3.982 0.172 19 0 "[ . 1 . 2]" 1
12 1 12 ILE H 1 13 GLN H . . 4.050 3.829 3.405 4.314 0.264 13 0 "[ . 1 . 2]" 1
13 1 12 ILE HA 1 12 ILE HG13 . . 3.310 2.847 2.646 3.335 0.025 13 0 "[ . 1 . 2]" 1
14 1 12 ILE HA 1 13 GLN H . . 2.590 2.348 2.288 2.856 0.266 13 0 "[ . 1 . 2]" 1
15 1 12 ILE HG13 1 13 GLN H . . 4.820 4.980 4.638 5.070 0.250 9 0 "[ . 1 . 2]" 1
16 1 12 ILE MG 1 13 GLN H . . 3.790 3.489 1.820 3.690 . 0 0 "[ . 1 . 2]" 1
17 1 12 ILE MG 1 13 GLN HA . . 3.910 3.830 3.599 4.029 0.119 13 0 "[ . 1 . 2]" 1
18 1 13 GLN H 1 13 GLN HB3 . . 3.490 3.181 2.367 3.517 0.027 17 0 "[ . 1 . 2]" 1
19 1 13 GLN H 1 13 GLN HG3 . . 4.090 3.541 1.936 4.682 0.592 11 2 "[ -. 1+ . 2]" 1
20 1 13 GLN HA 1 13 GLN HG3 . . 3.710 2.765 2.017 3.757 0.047 5 0 "[ . 1 . 2]" 1
21 1 13 GLN HA 1 14 ILE H . . 2.660 2.331 2.202 2.745 0.085 11 0 "[ . 1 . 2]" 1
22 1 13 GLN HA 1 46 ASN QD . . 4.670 3.399 2.025 4.236 . 0 0 "[ . 1 . 2]" 1
23 1 13 GLN HB3 1 14 ILE H . . 4.220 3.733 2.331 4.469 0.249 9 0 "[ . 1 . 2]" 1
24 1 13 GLN HB3 1 46 ASN QD . . 5.000 3.595 2.022 4.995 . 0 0 "[ . 1 . 2]" 1
25 1 14 ILE H 1 14 ILE HB . . 3.120 2.893 2.089 3.242 0.122 16 0 "[ . 1 . 2]" 1
26 1 14 ILE H 1 14 ILE HG13 . . 3.580 2.493 2.048 3.665 0.085 13 0 "[ . 1 . 2]" 1
27 1 14 ILE H 1 14 ILE MG . . 3.980 3.892 3.453 4.011 0.031 11 0 "[ . 1 . 2]" 1
28 1 14 ILE H 1 15 ILE H . . 3.980 3.832 2.547 4.105 0.125 6 0 "[ . 1 . 2]" 1
29 1 14 ILE H 1 46 ASN QD . . 4.540 2.574 1.817 3.982 . 0 0 "[ . 1 . 2]" 1
30 1 14 ILE HA 1 14 ILE HG13 . . 3.560 3.281 2.649 3.722 0.162 19 0 "[ . 1 . 2]" 1
31 1 14 ILE HA 1 14 ILE MG . . 2.660 2.240 2.070 2.758 0.098 13 0 "[ . 1 . 2]" 1
32 1 14 ILE HA 1 15 ILE H . . 2.900 2.424 2.197 3.295 0.395 13 0 "[ . 1 . 2]" 1
33 1 14 ILE HB 1 14 ILE MD . . 3.100 2.403 2.101 3.201 0.101 19 0 "[ . 1 . 2]" 1
34 1 14 ILE HB 1 14 ILE HG13 . . 2.870 2.465 2.252 2.589 . 0 0 "[ . 1 . 2]" 1
35 1 14 ILE HB 1 15 ILE H . . 4.360 4.058 2.110 4.626 0.266 20 0 "[ . 1 . 2]" 1
36 1 14 ILE HB 1 46 ASN QD . . 4.990 4.249 2.924 4.827 . 0 0 "[ . 1 . 2]" 1
37 1 14 ILE MG 1 15 ILE H . . 3.480 3.150 1.927 3.681 0.201 13 0 "[ . 1 . 2]" 1
38 1 15 ILE H 1 15 ILE HB . . 3.360 3.134 2.235 3.537 0.177 1 0 "[ . 1 . 2]" 1
39 1 15 ILE H 1 15 ILE HG13 . . 3.610 2.509 1.937 3.864 0.254 6 0 "[ . 1 . 2]" 1
40 1 15 ILE H 1 16 ASP H . . 4.700 4.307 2.425 4.670 . 0 0 "[ . 1 . 2]" 1
41 1 15 ILE HA 1 15 ILE MG . . 3.180 2.287 2.045 2.541 . 0 0 "[ . 1 . 2]" 1
42 1 15 ILE HA 1 46 ASN QD . . 4.850 3.221 1.913 4.729 . 0 0 "[ . 1 . 2]" 1
43 1 15 ILE MG 1 16 ASP H . . 3.720 3.290 1.947 3.783 0.063 1 0 "[ . 1 . 2]" 1
44 1 15 ILE MG 1 46 ASN QD . . 4.550 3.742 1.855 4.572 0.022 17 0 "[ . 1 . 2]" 1
45 1 16 ASP HA 1 17 ARG H . . 3.590 2.582 2.279 3.154 . 0 0 "[ . 1 . 2]" 1
46 1 16 ASP HB3 1 17 ARG H . . 3.830 3.074 1.987 4.497 0.667 8 1 "[ . + 1 . 2]" 1
47 1 17 ARG H 1 17 ARG HG3 . . 3.750 2.846 2.001 3.740 . 0 0 "[ . 1 . 2]" 1
48 1 17 ARG HA 1 17 ARG HG3 . . 3.490 2.524 2.038 3.331 . 0 0 "[ . 1 . 2]" 1
49 1 17 ARG HA 1 18 PRO HD3 . . 3.390 2.037 1.950 2.213 . 0 0 "[ . 1 . 2]" 1
50 1 17 ARG HG3 1 97 CYS HB3 . . 3.910 2.797 1.995 4.065 0.155 8 0 "[ . 1 . 2]" 1
51 1 17 ARG HG3 1 98 GLY H . . 4.980 4.809 3.488 6.169 1.189 14 4 "[- . * 1 +. * 2]" 1
52 1 18 PRO HA 1 19 GLY H . . 3.380 2.754 2.148 3.401 0.021 14 0 "[ . 1 . 2]" 1
53 1 18 PRO HB3 1 19 GLY H . . 4.520 3.866 3.102 4.481 . 0 0 "[ . 1 . 2]" 1
54 1 19 GLY HA2 1 20 PRO HD3 . . 3.550 2.352 1.962 2.687 . 0 0 "[ . 1 . 2]" 1
55 1 19 GLY HA3 1 20 PRO HD3 . . 3.500 2.711 2.354 3.246 . 0 0 "[ . 1 . 2]" 1
56 1 20 PRO HA 1 21 PRO HD3 . . 3.570 2.177 2.109 2.188 . 0 0 "[ . 1 . 2]" 1
57 1 20 PRO HB3 1 21 PRO HD3 . . 4.390 3.141 3.122 3.268 . 0 0 "[ . 1 . 2]" 1
58 1 20 PRO HB3 1 103 ALA HA . . 4.150 2.540 2.161 3.317 . 0 0 "[ . 1 . 2]" 1
59 1 20 PRO HB3 1 104 THR H . . 4.560 3.218 2.893 3.946 . 0 0 "[ . 1 . 2]" 1
60 1 20 PRO HB3 1 104 THR HG1 . . 4.160 3.548 2.674 4.389 0.229 18 0 "[ . 1 . 2]" 1
61 1 21 PRO HA 1 22 GLN H . . 3.320 2.294 2.168 2.456 . 0 0 "[ . 1 . 2]" 1
62 1 21 PRO HA 1 22 GLN HA . . 4.180 4.173 4.162 4.211 0.031 8 0 "[ . 1 . 2]" 1
63 1 21 PRO HA 1 41 PRO HA . . 3.740 3.665 3.436 3.760 0.020 17 0 "[ . 1 . 2]" 1
64 1 21 PRO HB3 1 23 ILE H . . 4.800 4.535 4.262 4.783 . 0 0 "[ . 1 . 2]" 1
65 1 21 PRO HB3 1 24 VAL MG2 . . 3.850 3.745 3.479 3.877 0.027 17 0 "[ . 1 . 2]" 1
66 1 21 PRO HB3 1 38 TRP HD1 . . 3.840 3.028 2.772 3.351 . 0 0 "[ . 1 . 2]" 1
67 1 21 PRO HB3 1 39 THR H . . 4.600 4.466 4.151 4.609 0.009 14 0 "[ . 1 . 2]" 1
68 1 21 PRO HD3 1 93 SER HG . . 4.150 2.939 2.839 3.231 . 0 0 "[ . 1 . 2]" 1
69 1 21 PRO HG3 1 38 TRP HD1 . . 4.280 4.246 3.989 4.303 0.023 19 0 "[ . 1 . 2]" 1
70 1 21 PRO HG3 1 91 VAL HB . . 3.940 2.324 1.995 2.619 . 0 0 "[ . 1 . 2]" 1
71 1 21 PRO HG3 1 91 VAL MG1 . . 3.870 2.434 2.130 2.656 . 0 0 "[ . 1 . 2]" 1
72 1 22 GLN H 1 22 GLN HB3 . . 3.750 3.475 3.417 3.528 . 0 0 "[ . 1 . 2]" 1
73 1 22 GLN H 1 22 GLN HG3 . . 3.610 2.875 2.576 3.202 . 0 0 "[ . 1 . 2]" 1
74 1 22 GLN H 1 23 ILE H . . 3.630 2.977 2.714 3.127 . 0 0 "[ . 1 . 2]" 1
75 1 22 GLN HA 1 22 GLN HG3 . . 3.580 3.013 2.745 3.238 . 0 0 "[ . 1 . 2]" 1
76 1 22 GLN HB3 1 23 ILE H . . 3.790 3.059 2.880 3.260 . 0 0 "[ . 1 . 2]" 1
77 1 22 GLN HB3 1 23 ILE MG . . 3.840 3.497 3.295 3.689 . 0 0 "[ . 1 . 2]" 1
78 1 22 GLN HB3 1 39 THR HB . . 3.940 3.427 3.132 3.961 0.021 8 0 "[ . 1 . 2]" 1
79 1 22 GLN HB3 1 39 THR MG . . 3.860 3.661 3.487 3.895 0.035 20 0 "[ . 1 . 2]" 1
80 1 22 GLN HE21 1 22 GLN HG3 . . 3.480 2.717 2.348 3.566 0.086 11 0 "[ . 1 . 2]" 1
81 1 22 GLN HE21 1 39 THR MG . . 4.560 4.063 3.357 4.482 . 0 0 "[ . 1 . 2]" 1
82 1 22 GLN HE22 1 22 GLN HG3 . . 4.140 3.726 3.548 4.157 0.017 14 0 "[ . 1 . 2]" 1
83 1 22 GLN HE22 1 39 THR MG . . 4.710 4.565 4.168 4.793 0.083 20 0 "[ . 1 . 2]" 1
84 1 22 GLN HG3 1 23 ILE H . . 4.910 4.815 4.678 4.982 0.072 19 0 "[ . 1 . 2]" 1
85 1 22 GLN HG3 1 41 PRO HA . . 3.680 2.910 2.506 3.321 . 0 0 "[ . 1 . 2]" 1
86 1 22 GLN HG3 1 42 LYS H . . 3.890 2.986 2.276 3.509 . 0 0 "[ . 1 . 2]" 1
87 1 23 ILE H 1 23 ILE HB . . 3.460 3.176 3.047 3.309 . 0 0 "[ . 1 . 2]" 1
88 1 23 ILE H 1 23 ILE MG . . 3.420 2.717 2.558 2.912 . 0 0 "[ . 1 . 2]" 1
89 1 23 ILE H 1 24 VAL H . . 4.670 4.358 4.313 4.396 . 0 0 "[ . 1 . 2]" 1
90 1 23 ILE H 1 38 TRP HA . . 4.850 4.270 4.152 4.409 . 0 0 "[ . 1 . 2]" 1
91 1 23 ILE H 1 39 THR H . . 3.800 2.452 2.342 2.649 . 0 0 "[ . 1 . 2]" 1
92 1 23 ILE H 1 39 THR HB . . 4.030 3.889 3.685 4.190 0.160 19 0 "[ . 1 . 2]" 1
93 1 23 ILE H 1 39 THR MG . . 4.560 3.475 3.356 3.617 . 0 0 "[ . 1 . 2]" 1
94 1 23 ILE H 1 104 THR MG . . 4.280 4.092 3.701 4.283 0.003 3 0 "[ . 1 . 2]" 1
95 1 23 ILE HA 1 23 ILE MD . . 3.640 3.281 3.052 3.746 0.106 13 0 "[ . 1 . 2]" 1
96 1 23 ILE HA 1 23 ILE HG13 . . 3.400 3.205 2.564 3.459 0.059 5 0 "[ . 1 . 2]" 1
97 1 23 ILE HA 1 23 ILE MG . . 3.180 3.178 3.173 3.181 0.001 16 0 "[ . 1 . 2]" 1
98 1 23 ILE HA 1 24 VAL H . . 2.740 2.437 2.340 2.484 . 0 0 "[ . 1 . 2]" 1
99 1 23 ILE HA 1 24 VAL MG2 . . 3.840 3.330 3.085 3.561 . 0 0 "[ . 1 . 2]" 1
100 1 23 ILE HA 1 104 THR MG . . 3.130 2.285 2.010 2.583 . 0 0 "[ . 1 . 2]" 1
101 1 23 ILE HB 1 23 ILE MD . . 3.240 3.017 2.521 3.167 . 0 0 "[ . 1 . 2]" 1
102 1 23 ILE HB 1 24 VAL H . . 4.210 4.077 4.033 4.208 . 0 0 "[ . 1 . 2]" 1
103 1 23 ILE HB 1 39 THR H . . 4.900 4.830 4.684 4.953 0.053 1 0 "[ . 1 . 2]" 1
104 1 23 ILE HB 1 39 THR MG . . 3.660 3.713 3.672 3.826 0.166 11 0 "[ . 1 . 2]" 1
105 1 23 ILE HG13 1 24 VAL H . . 3.680 3.739 3.459 3.845 0.165 9 0 "[ . 1 . 2]" 1
106 1 23 ILE MG 1 24 VAL H . . 3.250 3.077 2.911 3.291 0.041 14 0 "[ . 1 . 2]" 1
107 1 23 ILE MG 1 38 TRP HA . . 3.810 3.377 3.166 3.522 . 0 0 "[ . 1 . 2]" 1
108 1 23 ILE MG 1 39 THR H . . 4.190 2.861 2.603 3.017 . 0 0 "[ . 1 . 2]" 1
109 1 23 ILE MG 1 39 THR HB . . 3.690 3.597 3.468 3.686 . 0 0 "[ . 1 . 2]" 1
110 1 23 ILE MG 1 39 THR MG . . 2.830 1.813 1.750 1.873 . 0 0 "[ . 1 . 2]" 1
111 1 24 VAL H 1 24 VAL HB . . 3.640 2.737 2.663 2.807 . 0 0 "[ . 1 . 2]" 1
112 1 24 VAL H 1 24 VAL MG1 . . 3.950 3.872 3.803 3.917 . 0 0 "[ . 1 . 2]" 1
113 1 24 VAL H 1 24 VAL MG2 . . 3.680 2.972 2.782 3.127 . 0 0 "[ . 1 . 2]" 1
114 1 24 VAL H 1 25 LYS H . . 4.920 4.095 4.031 4.139 . 0 0 "[ . 1 . 2]" 1
115 1 24 VAL H 1 104 THR MG . . 3.370 2.553 2.141 2.927 . 0 0 "[ . 1 . 2]" 1
116 1 24 VAL HA 1 25 LYS H . . 3.450 2.184 2.181 2.187 . 0 0 "[ . 1 . 2]" 1
117 1 24 VAL HA 1 38 TRP HA . . 3.440 2.001 1.977 2.041 . 0 0 "[ . 1 . 2]" 1
118 1 24 VAL HB 1 104 THR MG . . 3.240 2.640 2.000 3.025 . 0 0 "[ . 1 . 2]" 1
119 1 24 VAL HB 1 106 THR HA . . 3.980 3.325 2.753 3.796 . 0 0 "[ . 1 . 2]" 1
120 1 24 VAL HB 1 106 THR MG . . 3.240 3.040 2.390 3.251 0.011 13 0 "[ . 1 . 2]" 1
121 1 24 VAL MG1 1 25 LYS H . . 3.500 3.022 2.874 3.145 . 0 0 "[ . 1 . 2]" 1
122 1 24 VAL MG1 1 37 THR H . . 4.720 3.532 3.276 3.622 . 0 0 "[ . 1 . 2]" 1
123 1 24 VAL MG1 1 38 TRP HA . . 3.760 3.466 3.225 3.720 . 0 0 "[ . 1 . 2]" 1
124 1 24 VAL MG1 1 38 TRP HB3 . . 3.600 2.238 2.009 2.580 . 0 0 "[ . 1 . 2]" 1
125 1 24 VAL MG1 1 38 TRP HE3 . . 3.820 3.090 2.669 3.537 . 0 0 "[ . 1 . 2]" 1
126 1 24 VAL MG1 1 91 VAL MG2 . . 3.050 2.236 1.909 2.465 . 0 0 "[ . 1 . 2]" 1
127 1 24 VAL MG1 1 106 THR HA . . 4.060 3.468 2.961 4.113 0.053 18 0 "[ . 1 . 2]" 1
128 1 24 VAL MG1 1 106 THR MG . . 2.750 1.864 1.730 1.930 . 0 0 "[ . 1 . 2]" 1
129 1 24 VAL MG2 1 38 TRP HA . . 3.910 3.053 2.922 3.179 . 0 0 "[ . 1 . 2]" 1
130 1 24 VAL MG2 1 38 TRP HB3 . . 3.210 2.298 1.980 2.722 . 0 0 "[ . 1 . 2]" 1
131 1 24 VAL MG2 1 91 VAL H . . 3.850 2.843 2.314 3.804 . 0 0 "[ . 1 . 2]" 1
132 1 24 VAL MG2 1 91 VAL HB . . 3.460 2.276 1.961 2.630 . 0 0 "[ . 1 . 2]" 1
133 1 24 VAL MG2 1 91 VAL MG1 . . 3.870 3.443 3.162 3.759 . 0 0 "[ . 1 . 2]" 1
134 1 24 VAL MG2 1 91 VAL MG2 . . 3.110 2.640 2.304 3.059 . 0 0 "[ . 1 . 2]" 1
135 1 24 VAL MG2 1 104 THR H . . 4.270 3.468 3.112 3.754 . 0 0 "[ . 1 . 2]" 1
136 1 24 VAL MG2 1 104 THR HB . . 3.120 2.042 1.841 2.271 . 0 0 "[ . 1 . 2]" 1
137 1 24 VAL MG2 1 104 THR MG . . 2.910 1.984 1.912 2.199 . 0 0 "[ . 1 . 2]" 1
138 1 25 LYS H 1 25 LYS HB3 . . 3.710 3.391 3.179 3.619 . 0 0 "[ . 1 . 2]" 1
139 1 25 LYS H 1 37 THR H . . 4.120 3.090 2.988 3.384 . 0 0 "[ . 1 . 2]" 1
140 1 25 LYS H 1 37 THR MG . . 4.860 4.961 4.925 5.022 0.162 14 0 "[ . 1 . 2]" 1
141 1 25 LYS H 1 38 TRP HA . . 3.880 2.961 2.875 3.071 . 0 0 "[ . 1 . 2]" 1
142 1 25 LYS H 1 38 TRP HB3 . . 4.640 4.054 3.951 4.118 . 0 0 "[ . 1 . 2]" 1
143 1 25 LYS H 1 39 THR H . . 5.060 5.015 4.880 5.103 0.043 11 0 "[ . 1 . 2]" 1
144 1 25 LYS H 1 106 THR MG . . 4.910 4.068 3.737 4.387 . 0 0 "[ . 1 . 2]" 1
145 1 25 LYS HA 1 26 ILE MD . . 3.550 3.520 3.303 3.668 0.118 18 0 "[ . 1 . 2]" 1
146 1 25 LYS HB3 1 26 ILE H . . 3.740 3.159 2.269 3.818 0.078 15 0 "[ . 1 . 2]" 1
147 1 26 ILE H 1 26 ILE HB . . 3.170 2.490 2.256 2.821 . 0 0 "[ . 1 . 2]" 1
148 1 26 ILE H 1 26 ILE MD . . 3.570 3.035 2.811 3.586 0.016 18 0 "[ . 1 . 2]" 1
149 1 26 ILE H 1 26 ILE MG . . 3.840 3.745 3.570 3.869 0.029 18 0 "[ . 1 . 2]" 1
150 1 26 ILE H 1 36 LEU MD2 . . 5.050 4.650 4.405 5.028 . 0 0 "[ . 1 . 2]" 1
151 1 26 ILE H 1 106 THR MG . . 3.970 3.944 3.637 4.001 0.031 18 0 "[ . 1 . 2]" 1
152 1 26 ILE HA 1 26 ILE MD . . 3.740 3.651 2.516 3.774 0.034 19 0 "[ . 1 . 2]" 1
153 1 26 ILE HA 1 26 ILE HG13 . . 3.970 2.444 2.107 3.954 . 0 0 "[ . 1 . 2]" 1
154 1 26 ILE HA 1 26 ILE MG . . 3.010 2.510 2.114 2.611 . 0 0 "[ . 1 . 2]" 1
155 1 26 ILE HA 1 27 GLU H . . 3.090 2.198 2.181 2.224 . 0 0 "[ . 1 . 2]" 1
156 1 26 ILE HA 1 28 ASP H . . 3.910 3.845 3.710 3.951 0.041 15 0 "[ . 1 . 2]" 1
157 1 26 ILE HA 1 36 LEU HA . . 3.540 2.102 1.981 2.430 . 0 0 "[ . 1 . 2]" 1
158 1 26 ILE HA 1 36 LEU MD2 . . 3.260 3.066 2.743 3.266 0.006 15 0 "[ . 1 . 2]" 1
159 1 26 ILE HA 1 37 THR H . . 4.090 2.984 2.912 3.187 . 0 0 "[ . 1 . 2]" 1
160 1 26 ILE HB 1 26 ILE MD . . 2.680 2.152 2.024 3.161 0.481 18 0 "[ . 1 . 2]" 1
161 1 26 ILE MD 1 36 LEU MD2 . . 3.000 2.931 1.621 3.028 0.028 14 0 "[ . 1 . 2]" 1
162 1 26 ILE MD 1 89 PHE H . . 5.030 4.536 3.654 5.016 . 0 0 "[ . 1 . 2]" 1
163 1 26 ILE MD 1 89 PHE QD . . 3.380 2.581 1.931 2.873 . 0 0 "[ . 1 . 2]" 1
164 1 26 ILE MD 1 89 PHE QE . . 3.540 3.331 2.505 3.549 0.009 13 0 "[ . 1 . 2]" 1
165 1 26 ILE MD 1 106 THR HB . . 3.550 2.143 1.908 2.901 . 0 0 "[ . 1 . 2]" 1
166 1 26 ILE MD 1 106 THR HG1 . . 3.700 3.308 2.833 3.600 . 0 0 "[ . 1 . 2]" 1
167 1 26 ILE MD 1 106 THR MG . . 2.680 2.040 1.864 2.242 . 0 0 "[ . 1 . 2]" 1
168 1 26 ILE MD 1 109 SER H . . 4.930 4.701 3.034 4.941 0.011 19 0 "[ . 1 . 2]" 1
169 1 26 ILE MD 1 109 SER HA . . 3.650 3.408 2.865 3.656 0.006 5 0 "[ . 1 . 2]" 1
170 1 26 ILE MD 1 110 ALA H . . 3.790 3.733 3.290 3.887 0.097 18 0 "[ . 1 . 2]" 1
171 1 26 ILE MD 1 110 ALA MB . . 2.600 2.406 2.102 2.608 0.008 19 0 "[ . 1 . 2]" 1
172 1 26 ILE HG13 1 36 LEU MD2 . . 3.740 2.161 1.965 3.943 0.203 18 0 "[ . 1 . 2]" 1
173 1 26 ILE HG13 1 110 ALA MB . . 3.290 4.281 2.677 4.581 1.291 17 19 "[**************-*+ **]" 1
174 1 26 ILE MG 1 27 GLU H . . 3.410 3.181 3.037 3.343 . 0 0 "[ . 1 . 2]" 1
175 1 26 ILE MG 1 28 ASP H . . 3.360 2.097 1.937 2.691 . 0 0 "[ . 1 . 2]" 1
176 1 27 GLU H 1 27 GLU HB3 . . 3.640 3.276 3.197 3.347 . 0 0 "[ . 1 . 2]" 1
177 1 27 GLU H 1 27 GLU HG3 . . 3.950 3.824 3.500 3.961 0.011 13 0 "[ . 1 . 2]" 1
178 1 27 GLU H 1 28 ASP H . . 3.410 2.985 2.893 3.084 . 0 0 "[ . 1 . 2]" 1
179 1 27 GLU H 1 35 ALA MB . . 3.830 3.152 2.962 3.326 . 0 0 "[ . 1 . 2]" 1
180 1 27 GLU H 1 36 LEU HA . . 3.660 2.955 2.772 3.286 . 0 0 "[ . 1 . 2]" 1
181 1 27 GLU H 1 36 LEU MD2 . . 4.700 4.613 4.366 4.716 0.016 17 0 "[ . 1 . 2]" 1
182 1 27 GLU H 1 37 THR H . . 4.440 3.506 3.379 3.657 . 0 0 "[ . 1 . 2]" 1
183 1 27 GLU H 1 37 THR MG . . 4.690 2.464 2.320 2.731 . 0 0 "[ . 1 . 2]" 1
184 1 27 GLU HA 1 27 GLU HG3 . . 3.670 3.290 2.848 3.435 . 0 0 "[ . 1 . 2]" 1
185 1 27 GLU HB3 1 28 ASP H . . 3.720 2.856 2.691 3.031 . 0 0 "[ . 1 . 2]" 1
186 1 27 GLU HB3 1 35 ALA MB . . 3.430 1.959 1.822 2.102 . 0 0 "[ . 1 . 2]" 1
187 1 27 GLU HB3 1 37 THR MG . . 4.010 3.359 3.293 3.437 . 0 0 "[ . 1 . 2]" 1
188 1 27 GLU HG3 1 37 THR MG . . 3.080 1.860 1.757 1.941 . 0 0 "[ . 1 . 2]" 1
189 1 28 ASP H 1 28 ASP HB3 . . 3.870 3.566 3.467 3.740 . 0 0 "[ . 1 . 2]" 1
190 1 28 ASP H 1 29 VAL H . . 4.450 4.338 4.319 4.343 . 0 0 "[ . 1 . 2]" 1
191 1 28 ASP H 1 35 ALA H . . 4.170 2.887 2.533 2.977 . 0 0 "[ . 1 . 2]" 1
192 1 28 ASP H 1 35 ALA MB . . 3.200 1.946 1.899 2.071 . 0 0 "[ . 1 . 2]" 1
193 1 28 ASP HA 1 29 VAL H . . 3.650 2.692 2.609 2.740 . 0 0 "[ . 1 . 2]" 1
194 1 28 ASP HB3 1 29 VAL H . . 4.050 2.616 2.357 2.747 . 0 0 "[ . 1 . 2]" 1
195 1 28 ASP HB3 1 30 TRP HZ3 . . 4.070 2.705 2.420 2.979 . 0 0 "[ . 1 . 2]" 1
196 1 28 ASP HB3 1 35 ALA MB . . 3.350 3.232 3.150 3.387 0.037 20 0 "[ . 1 . 2]" 1
197 1 29 VAL H 1 29 VAL HB . . 3.470 3.445 3.306 3.512 0.042 10 0 "[ . 1 . 2]" 1
198 1 29 VAL H 1 29 VAL MG1 . . 3.390 2.166 1.944 2.271 . 0 0 "[ . 1 . 2]" 1
199 1 29 VAL H 1 29 VAL MG2 . . 3.830 3.843 3.759 3.892 0.062 12 0 "[ . 1 . 2]" 1
200 1 29 VAL H 1 30 TRP H . . 4.710 4.132 4.104 4.202 . 0 0 "[ . 1 . 2]" 1
201 1 29 VAL H 1 30 TRP HE3 . . 4.380 3.219 3.085 3.514 . 0 0 "[ . 1 . 2]" 1
202 1 29 VAL HA 1 30 TRP HE3 . . 4.070 2.842 2.566 3.277 . 0 0 "[ . 1 . 2]" 1
203 1 29 VAL HA 1 34 VAL HA . . 3.540 2.152 2.018 2.321 . 0 0 "[ . 1 . 2]" 1
204 1 29 VAL HB 1 30 TRP H . . 4.950 4.221 4.111 4.285 . 0 0 "[ . 1 . 2]" 1
205 1 29 VAL MG1 1 34 VAL MG2 . . 3.230 3.265 3.238 3.306 0.076 13 0 "[ . 1 . 2]" 1
206 1 29 VAL MG1 1 110 ALA MB . . 3.050 2.921 2.662 3.058 0.008 3 0 "[ . 1 . 2]" 1
207 1 29 VAL MG1 1 111 VAL H . . 4.270 3.206 2.836 3.515 . 0 0 "[ . 1 . 2]" 1
208 1 29 VAL MG2 1 30 TRP H . . 3.290 2.811 2.676 2.895 . 0 0 "[ . 1 . 2]" 1
209 1 29 VAL MG2 1 31 GLY H . . 4.850 4.597 4.152 4.854 0.004 4 0 "[ . 1 . 2]" 1
210 1 29 VAL MG2 1 34 VAL HA . . 3.700 2.730 2.495 3.023 . 0 0 "[ . 1 . 2]" 1
211 1 29 VAL MG2 1 110 ALA MB . . 3.250 3.045 2.752 3.282 0.032 15 0 "[ . 1 . 2]" 1
212 1 29 VAL MG2 1 112 ILE HA . . 3.730 2.340 1.887 2.804 . 0 0 "[ . 1 . 2]" 1
213 1 29 VAL MG2 1 112 ILE MD . . 2.930 1.820 1.708 2.169 . 0 0 "[ . 1 . 2]" 1
214 1 29 VAL MG2 1 113 ALA H . . 4.660 3.112 2.284 3.807 . 0 0 "[ . 1 . 2]" 1
215 1 30 TRP H 1 30 TRP HE3 . . 3.730 2.617 2.327 2.940 . 0 0 "[ . 1 . 2]" 1
216 1 30 TRP H 1 31 GLY H . . 4.760 4.397 4.310 4.435 . 0 0 "[ . 1 . 2]" 1
217 1 30 TRP H 1 33 ASN H . . 4.260 3.317 2.884 3.497 . 0 0 "[ . 1 . 2]" 1
218 1 30 TRP H 1 33 ASN HB3 . . 4.960 4.679 4.013 5.567 0.607 4 1 "[ +. 1 . 2]" 1
219 1 30 TRP H 1 34 VAL HA . . 3.990 3.364 3.151 3.659 . 0 0 "[ . 1 . 2]" 1
220 1 30 TRP HA 1 31 GLY H . . 3.230 2.330 2.220 2.429 . 0 0 "[ . 1 . 2]" 1
221 1 30 TRP HB3 1 30 TRP HD1 . . 3.760 3.773 3.731 3.835 0.075 15 0 "[ . 1 . 2]" 1
222 1 30 TRP HB3 1 30 TRP HE3 . . 3.850 2.654 2.529 2.739 . 0 0 "[ . 1 . 2]" 1
223 1 30 TRP HB3 1 31 GLY H . . 4.290 4.041 3.909 4.235 . 0 0 "[ . 1 . 2]" 1
224 1 30 TRP HD1 1 33 ASN HD21 . . 4.860 3.223 2.742 4.117 . 0 0 "[ . 1 . 2]" 1
225 1 30 TRP HD1 1 33 ASN HD22 . . 4.890 3.838 2.308 4.504 . 0 0 "[ . 1 . 2]" 1
226 1 30 TRP HE1 1 33 ASN HB3 . . 5.150 3.750 2.904 4.628 . 0 0 "[ . 1 . 2]" 1
227 1 30 TRP HE1 1 33 ASN HD21 . . 4.420 3.561 3.185 4.062 . 0 0 "[ . 1 . 2]" 1
228 1 30 TRP HE1 1 33 ASN HD22 . . 4.480 3.836 2.158 4.547 0.067 15 0 "[ . 1 . 2]" 1
229 1 30 TRP HE3 1 35 ALA MB . . 3.820 3.808 3.623 3.840 0.020 19 0 "[ . 1 . 2]" 1
230 1 30 TRP HH2 1 35 ALA MB . . 3.340 2.004 1.976 2.218 . 0 0 "[ . 1 . 2]" 1
231 1 30 TRP HH2 1 77 THR MG . . 3.350 2.942 2.621 3.350 . 0 0 "[ . 1 . 2]" 1
232 1 30 TRP HZ2 1 33 ASN HB3 . . 4.310 3.646 2.760 5.126 0.816 20 3 "[- *. 1 . +]" 1
233 1 30 TRP HZ2 1 35 ALA MB . . 4.300 4.243 4.092 4.316 0.016 15 0 "[ . 1 . 2]" 1
234 1 30 TRP HZ2 1 77 THR MG . . 3.320 2.531 2.122 3.004 . 0 0 "[ . 1 . 2]" 1
235 1 30 TRP HZ3 1 35 ALA H . . 4.140 3.487 3.199 3.881 . 0 0 "[ . 1 . 2]" 1
236 1 30 TRP HZ3 1 35 ALA MB . . 2.960 1.889 1.812 2.013 . 0 0 "[ . 1 . 2]" 1
237 1 31 GLY H 1 32 GLU H . . 4.490 4.433 2.927 4.531 0.041 2 0 "[ . 1 . 2]" 1
238 1 31 GLY HA2 1 32 GLU H . . 3.330 3.307 2.909 3.372 0.042 18 0 "[ . 1 . 2]" 1
239 1 31 GLY HA3 1 32 GLU H . . 3.240 2.271 2.199 3.613 0.373 15 0 "[ . 1 . 2]" 1
240 1 31 GLY HA3 1 33 ASN H . . 4.170 3.776 3.542 3.973 . 0 0 "[ . 1 . 2]" 1
241 1 31 GLY HA3 1 33 ASN HD21 . . 4.840 3.511 2.389 4.780 . 0 0 "[ . 1 . 2]" 1
242 1 31 GLY HA3 1 33 ASN HD22 . . 4.930 4.099 2.422 4.706 . 0 0 "[ . 1 . 2]" 1
243 1 32 GLU H 1 32 GLU HB3 . . 4.020 3.707 3.638 4.066 0.046 15 0 "[ . 1 . 2]" 1
244 1 32 GLU H 1 32 GLU HG3 . . 3.910 2.631 2.235 3.034 . 0 0 "[ . 1 . 2]" 1
245 1 32 GLU H 1 33 ASN H . . 3.670 2.847 2.511 3.107 . 0 0 "[ . 1 . 2]" 1
246 1 32 GLU H 1 33 ASN HD21 . . 4.550 2.785 2.331 3.949 . 0 0 "[ . 1 . 2]" 1
247 1 32 GLU H 1 33 ASN HD22 . . 4.540 3.197 2.836 4.729 0.189 15 0 "[ . 1 . 2]" 1
248 1 32 GLU H 1 112 ILE MG . . 5.010 4.565 3.511 4.996 . 0 0 "[ . 1 . 2]" 1
249 1 32 GLU HA 1 32 GLU HG3 . . 3.530 3.126 2.843 3.313 . 0 0 "[ . 1 . 2]" 1
250 1 32 GLU HA 1 81 LEU H . . 4.350 3.752 3.387 4.369 0.019 15 0 "[ . 1 . 2]" 1
251 1 32 GLU HA 1 81 LEU HB3 . . 3.870 3.853 3.375 4.072 0.202 14 0 "[ . 1 . 2]" 1
252 1 32 GLU HA 1 81 LEU MD1 . . 3.620 3.535 3.337 3.637 0.017 20 0 "[ . 1 . 2]" 1
253 1 32 GLU HA 1 112 ILE MG . . 3.010 2.674 2.189 3.017 0.007 17 0 "[ . 1 . 2]" 1
254 1 32 GLU HB3 1 33 ASN H . . 4.830 4.554 4.468 4.611 . 0 0 "[ . 1 . 2]" 1
255 1 32 GLU HB3 1 81 LEU H . . 3.650 2.041 1.941 2.388 . 0 0 "[ . 1 . 2]" 1
256 1 32 GLU HG3 1 83 ILE MD . . 3.570 2.981 2.663 3.175 . 0 0 "[ . 1 . 2]" 1
257 1 32 GLU HG3 1 83 ILE HG13 . . 3.930 3.451 3.004 3.735 . 0 0 "[ . 1 . 2]" 1
258 1 32 GLU HG3 1 112 ILE MG . . 3.560 4.288 3.479 4.595 1.035 2 17 "[*+**-****1*** .*****]" 1
259 1 33 ASN H 1 33 ASN HB3 . . 3.910 3.755 3.299 3.872 . 0 0 "[ . 1 . 2]" 1
260 1 33 ASN H 1 33 ASN HD21 . . 3.910 2.744 2.047 3.874 . 0 0 "[ . 1 . 2]" 1
261 1 33 ASN H 1 33 ASN HD22 . . 4.260 3.905 3.270 4.220 . 0 0 "[ . 1 . 2]" 1
262 1 33 ASN H 1 34 VAL H . . 4.380 4.308 4.199 4.436 0.056 17 0 "[ . 1 . 2]" 1
263 1 33 ASN H 1 81 LEU MD1 . . 4.580 3.794 3.323 4.180 . 0 0 "[ . 1 . 2]" 1
264 1 33 ASN HA 1 34 VAL H . . 3.040 2.296 2.254 2.408 . 0 0 "[ . 1 . 2]" 1
265 1 33 ASN HA 1 34 VAL HB . . 4.500 4.223 4.140 4.285 . 0 0 "[ . 1 . 2]" 1
266 1 33 ASN HA 1 79 THR HA . . 3.630 2.751 2.085 3.227 . 0 0 "[ . 1 . 2]" 1
267 1 33 ASN HA 1 81 LEU MD1 . . 4.060 2.937 2.295 3.300 . 0 0 "[ . 1 . 2]" 1
268 1 33 ASN HB3 1 34 VAL H . . 4.010 3.376 2.798 4.098 0.088 4 0 "[ . 1 . 2]" 1
269 1 34 VAL H 1 34 VAL HB . . 3.620 2.335 2.142 2.496 . 0 0 "[ . 1 . 2]" 1
270 1 34 VAL H 1 34 VAL MG1 . . 3.740 3.493 3.348 3.558 . 0 0 "[ . 1 . 2]" 1
271 1 34 VAL H 1 35 ALA H . . 5.030 4.498 4.427 4.552 . 0 0 "[ . 1 . 2]" 1
272 1 34 VAL H 1 77 THR MG . . 3.700 3.186 2.713 3.645 . 0 0 "[ . 1 . 2]" 1
273 1 34 VAL H 1 78 ILE H . . 4.050 2.684 2.358 2.992 . 0 0 "[ . 1 . 2]" 1
274 1 34 VAL H 1 78 ILE HB . . 4.060 2.697 2.181 3.097 . 0 0 "[ . 1 . 2]" 1
275 1 34 VAL H 1 79 THR HA . . 4.470 4.101 3.635 4.467 . 0 0 "[ . 1 . 2]" 1
276 1 34 VAL H 1 81 LEU MD1 . . 4.080 2.748 2.234 3.247 . 0 0 "[ . 1 . 2]" 1
277 1 34 VAL HA 1 34 VAL MG1 . . 3.310 2.692 2.638 2.784 . 0 0 "[ . 1 . 2]" 1
278 1 34 VAL HA 1 34 VAL MG2 . . 3.260 2.208 2.151 2.246 . 0 0 "[ . 1 . 2]" 1
279 1 34 VAL HA 1 35 ALA H . . 3.200 2.324 2.216 2.418 . 0 0 "[ . 1 . 2]" 1
280 1 34 VAL HA 1 35 ALA MB . . 3.790 3.859 3.826 3.905 0.115 15 0 "[ . 1 . 2]" 1
281 1 34 VAL HB 1 78 ILE H . . 4.470 3.426 3.008 3.734 . 0 0 "[ . 1 . 2]" 1
282 1 34 VAL HB 1 78 ILE HB . . 3.580 2.047 1.994 2.240 . 0 0 "[ . 1 . 2]" 1
283 1 34 VAL HB 1 78 ILE HG13 . . 3.600 3.418 3.107 3.615 0.015 9 0 "[ . 1 . 2]" 1
284 1 34 VAL HB 1 81 LEU MD1 . . 3.490 2.278 1.902 2.582 . 0 0 "[ . 1 . 2]" 1
285 1 34 VAL HB 1 89 PHE QE . . 4.100 3.853 3.557 4.104 0.004 8 0 "[ . 1 . 2]" 1
286 1 34 VAL HB 1 89 PHE HZ . . 4.440 3.267 2.738 3.727 . 0 0 "[ . 1 . 2]" 1
287 1 34 VAL MG1 1 35 ALA H . . 3.860 2.147 1.909 2.684 . 0 0 "[ . 1 . 2]" 1
288 1 34 VAL MG1 1 78 ILE HB . . 3.850 2.936 2.550 3.270 . 0 0 "[ . 1 . 2]" 1
289 1 34 VAL MG1 1 78 ILE HG13 . . 2.770 2.688 2.313 2.789 0.019 14 0 "[ . 1 . 2]" 1
290 1 34 VAL MG1 1 89 PHE QD . . 3.900 3.687 3.467 3.920 0.020 18 0 "[ . 1 . 2]" 1
291 1 34 VAL MG1 1 89 PHE QE . . 3.520 2.542 2.025 3.056 . 0 0 "[ . 1 . 2]" 1
292 1 34 VAL MG1 1 89 PHE HZ . . 3.450 2.490 2.031 2.950 . 0 0 "[ . 1 . 2]" 1
293 1 34 VAL MG1 1 110 ALA MB . . 2.880 2.848 2.609 2.907 0.027 14 0 "[ . 1 . 2]" 1
294 1 34 VAL MG2 1 35 ALA H . . 3.360 3.401 3.373 3.435 0.075 5 0 "[ . 1 . 2]" 1
295 1 34 VAL MG2 1 89 PHE QE . . 3.510 3.191 2.810 3.521 0.011 18 0 "[ . 1 . 2]" 1
296 1 34 VAL MG2 1 89 PHE HZ . . 4.310 2.460 2.156 2.771 . 0 0 "[ . 1 . 2]" 1
297 1 34 VAL MG2 1 110 ALA MB . . 2.990 2.312 1.870 2.529 . 0 0 "[ . 1 . 2]" 1
298 1 35 ALA H 1 35 ALA MB . . 3.040 2.287 2.176 2.358 . 0 0 "[ . 1 . 2]" 1
299 1 35 ALA H 1 36 LEU H . . 4.890 4.312 4.262 4.388 . 0 0 "[ . 1 . 2]" 1
300 1 35 ALA HA 1 36 LEU H . . 3.030 2.187 2.186 2.189 . 0 0 "[ . 1 . 2]" 1
301 1 35 ALA HA 1 76 ALA H . . 4.740 4.648 4.482 4.745 0.005 10 0 "[ . 1 . 2]" 1
302 1 35 ALA HA 1 77 THR MG . . 4.070 3.714 3.350 3.998 . 0 0 "[ . 1 . 2]" 1
303 1 35 ALA HA 1 78 ILE H . . 4.290 3.856 3.476 4.221 . 0 0 "[ . 1 . 2]" 1
304 1 35 ALA MB 1 36 LEU H . . 3.310 3.330 3.296 3.377 0.067 18 0 "[ . 1 . 2]" 1
305 1 36 LEU H 1 36 LEU MD2 . . 4.350 4.203 3.969 4.329 . 0 0 "[ . 1 . 2]" 1
306 1 36 LEU H 1 36 LEU HG . . 3.820 3.220 2.926 3.375 . 0 0 "[ . 1 . 2]" 1
307 1 36 LEU H 1 37 THR MG . . 4.730 4.139 3.979 4.289 . 0 0 "[ . 1 . 2]" 1
308 1 36 LEU H 1 76 ALA H . . 3.950 3.001 2.675 3.194 . 0 0 "[ . 1 . 2]" 1
309 1 36 LEU H 1 77 THR HA . . 4.060 3.638 3.208 3.999 . 0 0 "[ . 1 . 2]" 1
310 1 36 LEU H 1 78 ILE H . . 5.030 4.553 4.235 4.948 . 0 0 "[ . 1 . 2]" 1
311 1 36 LEU HA 1 36 LEU MD2 . . 3.130 2.360 1.995 2.569 . 0 0 "[ . 1 . 2]" 1
312 1 36 LEU HA 1 37 THR H . . 2.880 2.338 2.304 2.364 . 0 0 "[ . 1 . 2]" 1
313 1 36 LEU HB3 1 36 LEU MD2 . . 3.000 2.173 2.079 2.343 . 0 0 "[ . 1 . 2]" 1
314 1 36 LEU HB3 1 37 THR H . . 3.360 2.841 2.781 2.912 . 0 0 "[ . 1 . 2]" 1
315 1 36 LEU HB3 1 38 TRP HE3 . . 3.680 2.573 2.500 2.652 . 0 0 "[ . 1 . 2]" 1
316 1 36 LEU HB3 1 38 TRP HZ3 . . 3.600 2.517 2.062 2.834 . 0 0 "[ . 1 . 2]" 1
317 1 36 LEU HB3 1 76 ALA H . . 4.430 3.968 3.551 4.409 . 0 0 "[ . 1 . 2]" 1
318 1 36 LEU MD1 1 38 TRP HZ3 . . 3.710 3.309 2.965 3.711 0.001 11 0 "[ . 1 . 2]" 1
319 1 36 LEU MD1 1 76 ALA H . . 4.890 4.143 3.776 4.633 . 0 0 "[ . 1 . 2]" 1
320 1 36 LEU MD1 1 89 PHE HB3 . . 3.390 2.288 1.978 2.781 . 0 0 "[ . 1 . 2]" 1
321 1 36 LEU MD1 1 89 PHE QD . . 3.300 2.460 2.012 2.813 . 0 0 "[ . 1 . 2]" 1
322 1 36 LEU MD1 1 89 PHE QE . . 3.490 3.326 2.864 3.508 0.018 1 0 "[ . 1 . 2]" 1
323 1 36 LEU MD1 1 90 ARG H . . 5.030 4.380 3.999 4.681 . 0 0 "[ . 1 . 2]" 1
324 1 36 LEU MD2 1 37 THR H . . 3.400 2.945 2.717 3.272 . 0 0 "[ . 1 . 2]" 1
325 1 36 LEU MD2 1 38 TRP HE3 . . 3.760 3.721 3.547 3.771 0.011 14 0 "[ . 1 . 2]" 1
326 1 37 THR H 1 37 THR HB . . 3.680 3.744 3.720 3.770 0.090 14 0 "[ . 1 . 2]" 1
327 1 37 THR H 1 37 THR MG . . 3.490 3.427 3.358 3.492 0.002 18 0 "[ . 1 . 2]" 1
328 1 37 THR H 1 38 TRP H . . 4.770 3.922 3.873 4.014 . 0 0 "[ . 1 . 2]" 1
329 1 37 THR H 1 38 TRP HE3 . . 4.760 3.351 3.062 3.534 . 0 0 "[ . 1 . 2]" 1
330 1 37 THR HA 1 38 TRP HE3 . . 4.330 3.426 3.057 3.718 . 0 0 "[ . 1 . 2]" 1
331 1 37 THR MG 1 38 TRP H . . 3.970 3.959 3.882 4.014 0.044 5 0 "[ . 1 . 2]" 1
332 1 37 THR MG 1 75 SER HA . . 3.870 3.788 3.636 3.887 0.017 19 0 "[ . 1 . 2]" 1
333 1 37 THR MG 1 75 SER HB3 . . 3.570 2.318 2.117 2.644 . 0 0 "[ . 1 . 2]" 1
334 1 37 THR MG 1 76 ALA H . . 4.760 4.650 4.356 4.781 0.021 18 0 "[ . 1 . 2]" 1
335 1 38 TRP H 1 38 TRP HE3 . . 4.140 2.770 2.347 3.181 . 0 0 "[ . 1 . 2]" 1
336 1 38 TRP H 1 74 THR HA . . 4.750 4.569 3.839 4.741 . 0 0 "[ . 1 . 2]" 1
337 1 38 TRP H 1 74 THR HB . . 3.730 3.512 3.261 3.736 0.006 12 0 "[ . 1 . 2]" 1
338 1 38 TRP H 1 75 SER HA . . 3.930 3.813 3.153 3.935 0.005 9 0 "[ . 1 . 2]" 1
339 1 38 TRP HA 1 39 THR H . . 3.120 2.374 2.334 2.455 . 0 0 "[ . 1 . 2]" 1
340 1 38 TRP HB3 1 38 TRP HE3 . . 4.160 2.549 2.476 2.647 . 0 0 "[ . 1 . 2]" 1
341 1 38 TRP HB3 1 39 THR H . . 3.950 3.979 3.890 4.045 0.095 20 0 "[ . 1 . 2]" 1
342 1 38 TRP HD1 1 39 THR H . . 4.470 4.069 3.794 4.347 . 0 0 "[ . 1 . 2]" 1
343 1 38 TRP HD1 1 74 THR MG . . 3.900 3.791 3.241 3.912 0.012 5 0 "[ . 1 . 2]" 1
344 1 38 TRP HE1 1 52 TYR HB3 . . 4.650 3.376 2.699 4.084 . 0 0 "[ . 1 . 2]" 1
345 1 38 TRP HE1 1 52 TYR QD . . 4.660 3.155 2.599 3.654 . 0 0 "[ . 1 . 2]" 1
346 1 38 TRP HE1 1 52 TYR QE . . 4.480 3.904 3.455 4.248 . 0 0 "[ . 1 . 2]" 1
347 1 38 TRP HE1 1 74 THR HA . . 3.620 2.454 2.107 2.731 . 0 0 "[ . 1 . 2]" 1
348 1 38 TRP HE1 1 74 THR HB . . 4.940 3.831 3.040 4.774 . 0 0 "[ . 1 . 2]" 1
349 1 38 TRP HE1 1 74 THR MG . . 3.630 3.061 2.649 3.486 . 0 0 "[ . 1 . 2]" 1
350 1 38 TRP HH2 1 54 ILE MD . . 3.250 2.238 2.020 2.571 . 0 0 "[ . 1 . 2]" 1
351 1 38 TRP HH2 1 71 TYR QE . . 3.230 2.930 2.470 3.203 . 0 0 "[ . 1 . 2]" 1
352 1 38 TRP HH2 1 76 ALA H . . 4.340 3.319 3.062 3.695 . 0 0 "[ . 1 . 2]" 1
353 1 38 TRP HH2 1 76 ALA MB . . 3.010 2.171 1.812 2.340 . 0 0 "[ . 1 . 2]" 1
354 1 38 TRP HZ2 1 52 TYR HB3 . . 4.170 4.084 3.714 4.192 0.022 14 0 "[ . 1 . 2]" 1
355 1 38 TRP HZ2 1 54 ILE MD . . 3.900 2.815 2.569 3.129 . 0 0 "[ . 1 . 2]" 1
356 1 38 TRP HZ2 1 71 TYR QE . . 4.010 3.660 3.189 4.035 0.025 14 0 "[ . 1 . 2]" 1
357 1 38 TRP HZ2 1 74 THR HA . . 3.760 2.550 2.277 3.577 . 0 0 "[ . 1 . 2]" 1
358 1 38 TRP HZ2 1 76 ALA MB . . 4.170 4.113 3.839 4.179 0.009 15 0 "[ . 1 . 2]" 1
359 1 38 TRP HZ3 1 54 ILE MD . . 3.870 3.606 3.160 3.876 0.006 20 0 "[ . 1 . 2]" 1
360 1 38 TRP HZ3 1 76 ALA H . . 4.350 2.694 2.282 3.133 . 0 0 "[ . 1 . 2]" 1
361 1 38 TRP HZ3 1 76 ALA MB . . 3.440 3.046 2.019 3.381 . 0 0 "[ . 1 . 2]" 1
362 1 39 THR H 1 39 THR HB . . 3.750 3.543 3.499 3.602 . 0 0 "[ . 1 . 2]" 1
363 1 39 THR H 1 39 THR MG . . 3.620 2.551 2.308 2.711 . 0 0 "[ . 1 . 2]" 1
364 1 39 THR H 1 40 PRO HD3 . . 4.960 4.804 4.778 4.812 . 0 0 "[ . 1 . 2]" 1
365 1 39 THR HA 1 39 THR MG . . 3.150 2.415 2.366 2.471 . 0 0 "[ . 1 . 2]" 1
366 1 39 THR HA 1 40 PRO HD3 . . 3.060 2.020 1.983 2.043 . 0 0 "[ . 1 . 2]" 1
367 1 39 THR HB 1 40 PRO HD3 . . 3.510 3.095 3.000 3.208 . 0 0 "[ . 1 . 2]" 1
368 1 39 THR MG 1 40 PRO HD3 . . 3.580 3.435 3.261 3.565 . 0 0 "[ . 1 . 2]" 1
369 1 40 PRO HB3 1 41 PRO HD3 . . 3.580 3.326 3.150 3.488 . 0 0 "[ . 1 . 2]" 1
370 1 41 PRO HA 1 42 LYS H . . 3.220 2.233 2.149 2.327 . 0 0 "[ . 1 . 2]" 1
371 1 41 PRO HA 1 43 ASP H . . 4.700 3.531 3.225 3.914 . 0 0 "[ . 1 . 2]" 1
372 1 41 PRO HB3 1 42 LYS H . . 4.120 3.765 3.549 4.134 0.014 7 0 "[ . 1 . 2]" 1
373 1 41 PRO HB3 1 43 ASP H . . 4.380 3.745 3.662 4.056 . 0 0 "[ . 1 . 2]" 1
374 1 42 LYS H 1 42 LYS HB3 . . 3.300 3.297 2.981 3.386 0.086 14 0 "[ . 1 . 2]" 1
375 1 42 LYS H 1 43 ASP H . . 3.610 2.410 2.143 2.581 . 0 0 "[ . 1 . 2]" 1
376 1 42 LYS HA 1 43 ASP H . . 3.350 3.384 3.337 3.539 0.189 20 0 "[ . 1 . 2]" 1
377 1 42 LYS HB3 1 43 ASP H . . 4.020 3.916 3.574 4.057 0.037 3 0 "[ . 1 . 2]" 1
378 1 43 ASP H 1 43 ASP HB3 . . 3.330 2.953 2.222 3.412 0.082 20 0 "[ . 1 . 2]" 1
379 1 43 ASP HB3 1 44 ASP H . . 4.670 3.411 1.952 4.524 . 0 0 "[ . 1 . 2]" 1
380 1 44 ASP H 1 45 GLY H . . 3.680 3.166 1.945 3.720 0.040 7 0 "[ . 1 . 2]" 1
381 1 44 ASP HA 1 49 ILE MD . . 3.370 2.619 1.852 3.284 . 0 0 "[ . 1 . 2]" 1
382 1 44 ASP HB3 1 49 ILE MD . . 3.690 3.209 2.436 3.764 0.074 13 0 "[ . 1 . 2]" 1
383 1 45 GLY H 1 46 ASN H . . 4.040 2.944 1.908 4.056 0.016 14 0 "[ . 1 . 2]" 1
384 1 45 GLY H 1 46 ASN HA . . 4.960 4.679 4.331 5.034 0.074 7 0 "[ . 1 . 2]" 1
385 1 46 ASN H 1 47 ALA H . . 4.290 2.980 1.902 4.342 0.052 11 0 "[ . 1 . 2]" 1
386 1 46 ASN HA 1 46 ASN QD . . 3.870 3.362 2.272 3.712 . 0 0 "[ . 1 . 2]" 1
387 1 47 ALA H 1 47 ALA MB . . 3.360 2.534 1.933 2.948 . 0 0 "[ . 1 . 2]" 1
388 1 47 ALA HA 1 48 ALA H . . 3.270 2.471 2.186 3.383 0.113 14 0 "[ . 1 . 2]" 1
389 1 47 ALA MB 1 95 ASN HB3 . . 3.620 3.141 1.869 3.816 0.196 11 0 "[ . 1 . 2]" 1
390 1 47 ALA MB 1 96 MET H . . 3.870 3.340 2.557 3.894 0.024 20 0 "[ . 1 . 2]" 1
391 1 47 ALA MB 1 96 MET ME . . 3.430 2.830 2.083 3.433 0.003 17 0 "[ . 1 . 2]" 1
392 1 47 ALA MB 1 96 MET HG3 . . 3.380 2.906 1.878 3.759 0.379 10 0 "[ . 1 . 2]" 1
393 1 47 ALA MB 1 97 CYS H . . 4.770 4.075 3.136 4.785 0.015 15 0 "[ . 1 . 2]" 1
394 1 48 ALA H 1 48 ALA MB . . 3.070 2.291 1.960 2.851 . 0 0 "[ . 1 . 2]" 1
395 1 48 ALA H 1 49 ILE H . . 5.000 4.109 2.255 4.660 . 0 0 "[ . 1 . 2]" 1
396 1 48 ALA HA 1 49 ILE H . . 3.120 2.369 2.187 3.144 0.024 19 0 "[ . 1 . 2]" 1
397 1 48 ALA MB 1 49 ILE H . . 3.540 3.266 2.348 3.602 0.062 20 0 "[ . 1 . 2]" 1
398 1 49 ILE H 1 49 ILE HB . . 3.570 2.545 2.245 3.563 . 0 0 "[ . 1 . 2]" 1
399 1 49 ILE H 1 49 ILE MD . . 3.890 2.221 1.857 3.894 0.004 2 0 "[ . 1 . 2]" 1
400 1 49 ILE H 1 49 ILE HG13 . . 4.200 2.892 2.380 4.085 . 0 0 "[ . 1 . 2]" 1
401 1 49 ILE HA 1 49 ILE MD . . 3.440 3.266 1.965 3.503 0.063 2 0 "[ . 1 . 2]" 1
402 1 49 ILE HA 1 49 ILE MG . . 3.370 2.466 2.353 2.532 . 0 0 "[ . 1 . 2]" 1
403 1 49 ILE HA 1 51 GLY H . . 4.230 3.941 3.499 4.240 0.010 8 0 "[ . 1 . 2]" 1
404 1 49 ILE HG13 1 49 ILE MG . . 3.450 2.793 2.511 3.170 . 0 0 "[ . 1 . 2]" 1
405 1 49 ILE MG 1 50 THR H . . 3.950 3.145 2.142 3.737 . 0 0 "[ . 1 . 2]" 1
406 1 49 ILE MG 1 51 GLY H . . 3.220 2.751 2.086 3.222 0.002 12 0 "[ . 1 . 2]" 1
407 1 49 ILE MG 1 51 GLY HA2 . . 3.970 3.362 2.975 3.851 . 0 0 "[ . 1 . 2]" 1
408 1 49 ILE MG 1 94 GLU H . . 3.720 3.372 2.538 3.733 0.013 7 0 "[ . 1 . 2]" 1
409 1 50 THR H 1 50 THR MG . . 3.810 3.034 1.927 3.747 . 0 0 "[ . 1 . 2]" 1
410 1 50 THR H 1 51 GLY H . . 3.730 2.719 2.022 3.054 . 0 0 "[ . 1 . 2]" 1
411 1 50 THR H 1 95 ASN HA . . 4.400 2.387 1.940 3.215 . 0 0 "[ . 1 . 2]" 1
412 1 50 THR HA 1 50 THR MG . . 2.910 2.442 2.232 2.614 . 0 0 "[ . 1 . 2]" 1
413 1 50 THR MG 1 51 GLY H . . 4.550 3.518 2.928 4.155 . 0 0 "[ . 1 . 2]" 1
414 1 50 THR MG 1 95 ASN HA . . 3.600 3.103 2.174 3.636 0.036 20 0 "[ . 1 . 2]" 1
415 1 51 GLY H 1 52 TYR H . . 4.810 4.229 4.007 4.397 . 0 0 "[ . 1 . 2]" 1
416 1 51 GLY H 1 94 GLU H . . 4.520 3.640 2.903 4.329 . 0 0 "[ . 1 . 2]" 1
417 1 51 GLY H 1 94 GLU HB3 . . 4.650 2.867 2.140 4.029 . 0 0 "[ . 1 . 2]" 1
418 1 51 GLY H 1 95 ASN HA . . 4.610 4.120 3.443 4.609 . 0 0 "[ . 1 . 2]" 1
419 1 51 GLY HA2 1 52 TYR H . . 3.590 2.918 2.621 3.179 . 0 0 "[ . 1 . 2]" 1
420 1 51 GLY HA3 1 52 TYR H . . 3.480 2.377 2.224 2.619 . 0 0 "[ . 1 . 2]" 1
421 1 52 TYR H 1 52 TYR QD . . 5.020 2.968 2.347 3.797 . 0 0 "[ . 1 . 2]" 1
422 1 52 TYR H 1 70 HIS H . . 4.860 4.123 3.205 4.868 0.008 5 0 "[ . 1 . 2]" 1
423 1 52 TYR H 1 70 HIS HA . . 4.900 3.516 2.809 4.063 . 0 0 "[ . 1 . 2]" 1
424 1 52 TYR H 1 71 TYR H . . 3.800 2.029 1.889 2.282 . 0 0 "[ . 1 . 2]" 1
425 1 52 TYR H 1 71 TYR HB3 . . 4.420 2.640 2.203 3.097 . 0 0 "[ . 1 . 2]" 1
426 1 52 TYR H 1 71 TYR QD . . 5.080 4.533 4.059 4.991 . 0 0 "[ . 1 . 2]" 1
427 1 52 TYR HA 1 53 THR H . . 3.320 2.231 2.188 2.463 . 0 0 "[ . 1 . 2]" 1
428 1 52 TYR HA 1 91 VAL MG1 . . 4.210 3.937 3.657 4.214 0.004 9 0 "[ . 1 . 2]" 1
429 1 52 TYR HA 1 93 SER HA . . 3.830 3.241 2.706 3.658 . 0 0 "[ . 1 . 2]" 1
430 1 52 TYR HA 1 94 GLU H . . 4.080 2.710 2.037 3.402 . 0 0 "[ . 1 . 2]" 1
431 1 52 TYR HB3 1 53 THR H . . 4.200 3.386 2.585 3.765 . 0 0 "[ . 1 . 2]" 1
432 1 52 TYR HB3 1 54 ILE MD . . 4.280 3.855 3.246 4.263 . 0 0 "[ . 1 . 2]" 1
433 1 52 TYR HB3 1 91 VAL MG1 . . 3.380 2.306 1.981 2.508 . 0 0 "[ . 1 . 2]" 1
434 1 52 TYR QD 1 91 VAL MG1 . . 3.590 2.883 1.909 3.526 . 0 0 "[ . 1 . 2]" 1
435 1 53 THR H 1 53 THR HB . . 3.690 2.317 2.173 2.527 . 0 0 "[ . 1 . 2]" 1
436 1 53 THR H 1 53 THR MG . . 4.020 3.712 3.640 3.812 . 0 0 "[ . 1 . 2]" 1
437 1 53 THR H 1 54 ILE H . . 4.990 4.551 4.456 4.629 . 0 0 "[ . 1 . 2]" 1
438 1 53 THR H 1 91 VAL MG1 . . 4.120 3.823 3.086 4.144 0.024 5 0 "[ . 1 . 2]" 1
439 1 53 THR H 1 92 PHE H . . 4.440 3.057 2.409 3.382 . 0 0 "[ . 1 . 2]" 1
440 1 53 THR H 1 92 PHE QD . . 4.700 4.233 2.970 4.708 0.008 12 0 "[ . 1 . 2]" 1
441 1 53 THR H 1 93 SER HA . . 4.420 4.237 3.613 4.442 0.022 2 0 "[ . 1 . 2]" 1
442 1 53 THR H 1 94 GLU H . . 5.020 3.920 3.156 4.573 . 0 0 "[ . 1 . 2]" 1
443 1 53 THR H 1 94 GLU HG3 . . 4.850 3.956 3.096 4.882 0.032 2 0 "[ . 1 . 2]" 1
444 1 53 THR HA 1 53 THR MG . . 3.380 2.490 2.388 2.584 . 0 0 "[ . 1 . 2]" 1
445 1 53 THR HA 1 54 ILE H . . 3.230 2.220 2.151 2.357 . 0 0 "[ . 1 . 2]" 1
446 1 53 THR HA 1 68 ILE H . . 4.870 4.412 3.974 4.786 . 0 0 "[ . 1 . 2]" 1
447 1 53 THR HA 1 69 GLU HA . . 3.320 2.713 2.415 3.060 . 0 0 "[ . 1 . 2]" 1
448 1 53 THR HB 1 92 PHE H . . 4.310 3.584 3.054 4.059 . 0 0 "[ . 1 . 2]" 1
449 1 53 THR HB 1 92 PHE HB3 . . 3.850 3.486 2.766 3.848 . 0 0 "[ . 1 . 2]" 1
450 1 53 THR HB 1 92 PHE QD . . 3.850 3.106 1.994 3.758 . 0 0 "[ . 1 . 2]" 1
451 1 53 THR HB 1 99 LEU QD . . 3.340 2.032 1.799 2.432 . 0 0 "[ . 1 . 2]" 1
452 1 53 THR MG 1 54 ILE H . . 3.420 2.534 2.133 3.011 . 0 0 "[ . 1 . 2]" 1
453 1 53 THR MG 1 55 GLN HE21 . . 5.110 2.562 1.966 4.176 . 0 0 "[ . 1 . 2]" 1
454 1 53 THR MG 1 55 GLN HE22 . . 5.080 3.658 2.966 4.444 . 0 0 "[ . 1 . 2]" 1
455 1 53 THR MG 1 55 GLN HG3 . . 3.850 2.661 2.259 3.137 . 0 0 "[ . 1 . 2]" 1
456 1 53 THR MG 1 68 ILE H . . 4.030 3.609 3.295 3.972 . 0 0 "[ . 1 . 2]" 1
457 1 53 THR MG 1 69 GLU HG3 . . 3.580 3.672 3.290 3.893 0.313 5 0 "[ . 1 . 2]" 1
458 1 53 THR MG 1 92 PHE QD . . 3.450 3.027 2.184 3.456 0.006 2 0 "[ . 1 . 2]" 1
459 1 53 THR MG 1 99 LEU QD . . 3.100 2.547 1.934 2.987 . 0 0 "[ . 1 . 2]" 1
460 1 54 ILE H 1 54 ILE HB . . 3.580 2.517 2.407 2.668 . 0 0 "[ . 1 . 2]" 1
461 1 54 ILE H 1 54 ILE MD . . 3.610 2.963 2.588 3.498 . 0 0 "[ . 1 . 2]" 1
462 1 54 ILE H 1 54 ILE MG . . 3.820 3.751 3.698 3.825 0.005 10 0 "[ . 1 . 2]" 1
463 1 54 ILE H 1 68 ILE H . . 4.110 2.783 2.368 2.990 . 0 0 "[ . 1 . 2]" 1
464 1 54 ILE H 1 68 ILE MG . . 3.840 2.381 1.929 3.007 . 0 0 "[ . 1 . 2]" 1
465 1 54 ILE H 1 69 GLU HA . . 4.040 3.946 3.687 4.055 0.015 13 0 "[ . 1 . 2]" 1
466 1 54 ILE HA 1 54 ILE MD . . 3.670 3.638 3.460 3.690 0.020 14 0 "[ . 1 . 2]" 1
467 1 54 ILE HA 1 54 ILE HG13 . . 4.060 2.313 2.204 2.389 . 0 0 "[ . 1 . 2]" 1
468 1 54 ILE HA 1 54 ILE MG . . 3.190 2.477 2.374 2.584 . 0 0 "[ . 1 . 2]" 1
469 1 54 ILE HA 1 91 VAL HA . . 4.270 2.733 2.405 2.954 . 0 0 "[ . 1 . 2]" 1
470 1 54 ILE HA 1 91 VAL MG2 . . 3.740 3.319 3.070 3.712 . 0 0 "[ . 1 . 2]" 1
471 1 54 ILE HB 1 54 ILE MD . . 3.080 2.012 1.948 2.124 . 0 0 "[ . 1 . 2]" 1
472 1 54 ILE HB 1 55 GLN H . . 5.080 4.091 3.858 4.328 . 0 0 "[ . 1 . 2]" 1
473 1 54 ILE HB 1 67 VAL H . . 4.990 4.376 3.867 4.908 . 0 0 "[ . 1 . 2]" 1
474 1 54 ILE HB 1 67 VAL HB . . 3.490 3.002 2.313 3.436 . 0 0 "[ . 1 . 2]" 1
475 1 54 ILE HB 1 67 VAL MG1 . . 2.970 2.919 2.822 2.990 0.020 9 0 "[ . 1 . 2]" 1
476 1 54 ILE HB 1 68 ILE H . . 3.860 3.294 3.018 3.676 . 0 0 "[ . 1 . 2]" 1
477 1 54 ILE MD 1 68 ILE H . . 4.810 4.225 3.838 4.689 . 0 0 "[ . 1 . 2]" 1
478 1 54 ILE MD 1 68 ILE HB . . 3.340 3.330 3.229 3.379 0.039 12 0 "[ . 1 . 2]" 1
479 1 54 ILE MD 1 68 ILE MG . . 2.700 1.810 1.653 2.198 . 0 0 "[ . 1 . 2]" 1
480 1 54 ILE MD 1 71 TYR HB3 . . 3.730 3.393 2.783 3.742 0.012 9 0 "[ . 1 . 2]" 1
481 1 54 ILE MD 1 71 TYR QD . . 3.280 2.773 1.998 3.215 . 0 0 "[ . 1 . 2]" 1
482 1 54 ILE MD 1 71 TYR QE . . 3.970 3.532 3.105 3.904 . 0 0 "[ . 1 . 2]" 1
483 1 54 ILE MD 1 91 VAL MG1 . . 3.550 3.492 3.292 3.561 0.011 7 0 "[ . 1 . 2]" 1
484 1 54 ILE MD 1 91 VAL MG2 . . 3.620 3.484 3.045 3.631 0.011 5 0 "[ . 1 . 2]" 1
485 1 54 ILE HG13 1 54 ILE MG . . 2.580 2.989 2.889 3.061 0.481 17 0 "[ . 1 . 2]" 1
486 1 54 ILE HG13 1 55 GLN H . . 4.760 4.376 4.164 4.493 . 0 0 "[ . 1 . 2]" 1
487 1 54 ILE HG13 1 91 VAL MG1 . . 4.000 2.791 2.499 3.070 . 0 0 "[ . 1 . 2]" 1
488 1 54 ILE HG13 1 91 VAL MG2 . . 3.700 2.654 2.290 2.984 . 0 0 "[ . 1 . 2]" 1
489 1 54 ILE MG 1 55 GLN H . . 3.370 2.187 1.915 2.715 . 0 0 "[ . 1 . 2]" 1
490 1 54 ILE MG 1 67 VAL HB . . 3.730 2.377 2.013 2.861 . 0 0 "[ . 1 . 2]" 1
491 1 54 ILE MG 1 67 VAL MG1 . . 2.980 2.473 2.148 2.734 . 0 0 "[ . 1 . 2]" 1
492 1 54 ILE MG 1 68 ILE H . . 4.650 4.073 3.804 4.431 . 0 0 "[ . 1 . 2]" 1
493 1 54 ILE MG 1 91 VAL MG2 . . 3.290 3.052 2.468 3.299 0.009 19 0 "[ . 1 . 2]" 1
494 1 55 GLN H 1 90 ARG H . . 4.180 2.791 2.329 3.279 . 0 0 "[ . 1 . 2]" 1
495 1 55 GLN H 1 91 VAL HA . . 4.610 4.102 3.650 4.397 . 0 0 "[ . 1 . 2]" 1
496 1 55 GLN H 1 91 VAL MG2 . . 4.970 4.201 3.794 4.688 . 0 0 "[ . 1 . 2]" 1
497 1 55 GLN HA 1 55 GLN HG3 . . 3.620 3.297 2.855 3.574 . 0 0 "[ . 1 . 2]" 1
498 1 55 GLN HA 1 56 LYS H . . 3.320 2.297 2.204 2.422 . 0 0 "[ . 1 . 2]" 1
499 1 55 GLN HA 1 66 THR HA . . 3.680 3.127 2.621 3.522 . 0 0 "[ . 1 . 2]" 1
500 1 55 GLN HA 1 67 VAL H . . 4.160 2.709 2.050 3.344 . 0 0 "[ . 1 . 2]" 1
501 1 55 GLN HA 1 67 VAL MG2 . . 3.570 2.269 1.882 2.894 . 0 0 "[ . 1 . 2]" 1
502 1 55 GLN HA 1 68 ILE H . . 4.890 4.294 3.862 4.802 . 0 0 "[ . 1 . 2]" 1
503 1 55 GLN HB3 1 56 LYS H . . 4.060 3.063 2.643 3.553 . 0 0 "[ . 1 . 2]" 1
504 1 55 GLN HB3 1 64 TRP HE3 . . 3.760 2.696 2.009 3.306 . 0 0 "[ . 1 . 2]" 1
505 1 55 GLN HB3 1 65 PHE H . . 4.610 3.230 2.344 4.060 . 0 0 "[ . 1 . 2]" 1
506 1 55 GLN HE21 1 66 THR HA . . 4.870 3.262 2.169 4.154 . 0 0 "[ . 1 . 2]" 1
507 1 55 GLN HE21 1 66 THR MG . . 5.080 3.767 2.952 4.589 . 0 0 "[ . 1 . 2]" 1
508 1 55 GLN HE22 1 66 THR HA . . 4.740 4.174 3.669 4.807 0.067 19 0 "[ . 1 . 2]" 1
509 1 55 GLN HG3 1 66 THR HA . . 3.610 3.690 3.129 3.890 0.280 9 0 "[ . 1 . 2]" 1
510 1 55 GLN HG3 1 66 THR MG . . 3.740 4.770 3.964 5.175 1.435 15 19 "[ *************+***-*]" 1
511 1 55 GLN HG3 1 67 VAL H . . 4.560 4.215 3.564 5.032 0.472 14 0 "[ . 1 . 2]" 1
512 1 56 LYS H 1 64 TRP HE3 . . 4.650 3.551 2.775 3.835 . 0 0 "[ . 1 . 2]" 1
513 1 56 LYS H 1 66 THR HA . . 4.870 4.558 4.055 4.877 0.007 4 0 "[ . 1 . 2]" 1
514 1 56 LYS H 1 67 VAL MG2 . . 4.190 2.117 1.844 2.722 . 0 0 "[ . 1 . 2]" 1
515 1 56 LYS HA 1 57 ALA H . . 3.340 2.382 2.233 2.519 . 0 0 "[ . 1 . 2]" 1
516 1 56 LYS HA 1 64 TRP HZ3 . . 3.880 2.802 2.008 3.448 . 0 0 "[ . 1 . 2]" 1
517 1 56 LYS HA 1 89 PHE HA . . 3.590 2.642 2.077 3.063 . 0 0 "[ . 1 . 2]" 1
518 1 56 LYS HA 1 89 PHE QD . . 3.940 3.099 2.232 3.909 . 0 0 "[ . 1 . 2]" 1
519 1 56 LYS HA 1 90 ARG H . . 4.340 4.151 3.674 4.352 0.012 16 0 "[ . 1 . 2]" 1
520 1 57 ALA H 1 57 ALA MB . . 3.480 2.665 2.331 2.751 . 0 0 "[ . 1 . 2]" 1
521 1 57 ALA H 1 58 ASP H . . 4.660 4.227 3.881 4.482 . 0 0 "[ . 1 . 2]" 1
522 1 57 ALA H 1 64 TRP HE3 . . 4.630 4.173 3.265 4.663 0.033 5 0 "[ . 1 . 2]" 1
523 1 57 ALA H 1 64 TRP HZ3 . . 4.090 3.655 2.838 4.111 0.021 16 0 "[ . 1 . 2]" 1
524 1 57 ALA H 1 87 TYR HA . . 4.700 4.514 4.304 4.687 . 0 0 "[ . 1 . 2]" 1
525 1 57 ALA H 1 87 TYR QD . . 4.240 4.133 3.242 4.261 0.021 5 0 "[ . 1 . 2]" 1
526 1 57 ALA H 1 88 TYR H . . 4.170 2.651 2.278 3.012 . 0 0 "[ . 1 . 2]" 1
527 1 57 ALA H 1 89 PHE HA . . 4.370 4.083 3.792 4.387 0.017 19 0 "[ . 1 . 2]" 1
528 1 57 ALA H 1 89 PHE QD . . 5.110 4.597 3.892 5.126 0.016 19 0 "[ . 1 . 2]" 1
529 1 57 ALA HA 1 58 ASP H . . 3.110 2.306 2.186 2.517 . 0 0 "[ . 1 . 2]" 1
530 1 57 ALA HA 1 65 PHE H . . 4.840 4.526 3.788 4.868 0.028 10 0 "[ . 1 . 2]" 1
531 1 57 ALA MB 1 58 ASP H . . 3.460 2.912 2.361 3.453 . 0 0 "[ . 1 . 2]" 1
532 1 57 ALA MB 1 61 SER H . . 5.110 5.070 4.735 5.280 0.170 7 0 "[ . 1 . 2]" 1
533 1 57 ALA MB 1 62 MET H . . 4.320 3.965 3.260 4.263 . 0 0 "[ . 1 . 2]" 1
534 1 57 ALA MB 1 62 MET HA . . 3.160 2.349 1.929 2.676 . 0 0 "[ . 1 . 2]" 1
535 1 57 ALA MB 1 62 MET ME . . 3.260 2.978 2.480 3.275 0.015 8 0 "[ . 1 . 2]" 1
536 1 57 ALA MB 1 63 GLU H . . 3.720 3.071 2.502 3.784 0.064 10 0 "[ . 1 . 2]" 1
537 1 57 ALA MB 1 64 TRP H . . 4.790 3.527 1.892 3.994 . 0 0 "[ . 1 . 2]" 1
538 1 57 ALA MB 1 64 TRP HA . . 3.450 2.332 1.963 2.804 . 0 0 "[ . 1 . 2]" 1
539 1 57 ALA MB 1 64 TRP HE1 . . 4.820 3.962 3.471 4.423 . 0 0 "[ . 1 . 2]" 1
540 1 57 ALA MB 1 64 TRP HE3 . . 3.850 2.890 2.627 3.164 . 0 0 "[ . 1 . 2]" 1
541 1 57 ALA MB 1 64 TRP HZ2 . . 4.090 3.649 3.241 4.025 . 0 0 "[ . 1 . 2]" 1
542 1 57 ALA MB 1 65 PHE H . . 4.430 4.129 3.767 4.406 . 0 0 "[ . 1 . 2]" 1
543 1 57 ALA MB 1 88 TYR H . . 4.820 3.603 3.093 4.106 . 0 0 "[ . 1 . 2]" 1
544 1 58 ASP H 1 58 ASP HB3 . . 3.280 3.312 3.021 3.489 0.209 14 0 "[ . 1 . 2]" 1
545 1 58 ASP HA 1 59 LYS H . . 3.060 2.608 2.513 2.701 . 0 0 "[ . 1 . 2]" 1
546 1 58 ASP HA 1 60 LYS H . . 4.030 4.041 3.923 4.102 0.072 13 0 "[ . 1 . 2]" 1
547 1 58 ASP HA 1 87 TYR HA . . 3.500 2.539 2.144 2.950 . 0 0 "[ . 1 . 2]" 1
548 1 58 ASP HA 1 87 TYR QD . . 4.160 2.575 1.993 3.167 . 0 0 "[ . 1 . 2]" 1
549 1 58 ASP HA 1 88 TYR H . . 4.080 3.635 3.154 3.950 . 0 0 "[ . 1 . 2]" 1
550 1 58 ASP HB3 1 59 LYS H . . 4.800 2.709 2.227 3.302 . 0 0 "[ . 1 . 2]" 1
551 1 58 ASP HB3 1 61 SER H . . 4.760 4.202 2.573 4.945 0.185 1 0 "[ . 1 . 2]" 1
552 1 59 LYS H 1 59 LYS HB3 . . 3.590 3.294 3.160 3.426 . 0 0 "[ . 1 . 2]" 1
553 1 59 LYS H 1 60 LYS H . . 3.700 2.739 2.592 2.880 . 0 0 "[ . 1 . 2]" 1
554 1 59 LYS H 1 86 GLU H . . 4.540 4.390 4.086 4.548 0.008 3 0 "[ . 1 . 2]" 1
555 1 59 LYS H 1 87 TYR HA . . 3.870 3.760 3.121 3.890 0.020 16 0 "[ . 1 . 2]" 1
556 1 59 LYS HA 1 88 TYR QD . . 3.890 3.803 3.412 3.911 0.021 5 0 "[ . 1 . 2]" 1
557 1 59 LYS HA 1 88 TYR QE . . 3.760 3.715 3.546 3.786 0.026 14 0 "[ . 1 . 2]" 1
558 1 59 LYS HB3 1 59 LYS HD3 . . 3.720 2.996 2.016 3.722 0.002 3 0 "[ . 1 . 2]" 1
559 1 59 LYS HD3 1 88 TYR QE . . 3.970 2.952 2.032 3.970 . 0 0 "[ . 1 . 2]" 1
560 1 59 LYS HG3 1 88 TYR QE . . 2.900 3.116 2.291 3.902 1.002 5 5 "[ + * ** . -]" 1
561 1 60 LYS H 1 60 LYS HB3 . . 3.350 3.476 2.402 3.740 0.390 19 0 "[ . 1 . 2]" 1
562 1 60 LYS H 1 61 SER H . . 3.500 2.226 1.800 2.668 . 0 0 "[ . 1 . 2]" 1
563 1 60 LYS H 1 61 SER HA . . 4.920 4.699 4.435 4.942 0.022 11 0 "[ . 1 . 2]" 1
564 1 60 LYS H 1 62 MET H . . 4.620 3.014 2.598 3.505 . 0 0 "[ . 1 . 2]" 1
565 1 60 LYS HB3 1 61 SER H . . 4.030 3.719 3.023 4.152 0.122 16 0 "[ . 1 . 2]" 1
566 1 61 SER H 1 61 SER HB3 . . 4.110 3.578 2.737 3.809 . 0 0 "[ . 1 . 2]" 1
567 1 61 SER H 1 62 MET H . . 3.220 1.890 1.817 2.121 . 0 0 "[ . 1 . 2]" 1
568 1 61 SER H 1 62 MET HA . . 3.810 3.865 3.671 3.998 0.188 16 0 "[ . 1 . 2]" 1
569 1 61 SER H 1 63 GLU H . . 4.520 3.418 2.847 4.148 . 0 0 "[ . 1 . 2]" 1
570 1 61 SER HA 1 63 GLU H . . 4.930 4.617 4.159 4.955 0.025 8 0 "[ . 1 . 2]" 1
571 1 61 SER HB3 1 63 GLU H . . 4.420 3.547 2.188 4.402 . 0 0 "[ . 1 . 2]" 1
572 1 61 SER HB3 1 63 GLU HG3 . . 3.860 2.536 1.989 4.018 0.158 16 0 "[ . 1 . 2]" 1
573 1 62 MET H 1 62 MET HG3 . . 4.800 3.861 3.164 4.481 . 0 0 "[ . 1 . 2]" 1
574 1 62 MET H 1 63 GLU H . . 3.750 2.859 2.556 3.196 . 0 0 "[ . 1 . 2]" 1
575 1 62 MET HA 1 62 MET ME . . 3.440 2.918 2.244 3.590 0.150 5 0 "[ . 1 . 2]" 1
576 1 62 MET HB3 1 62 MET ME . . 3.030 2.379 1.956 3.710 0.680 13 2 "[ . - 1 + . 2]" 1
577 1 62 MET ME 1 62 MET HG3 . . 3.160 2.888 2.097 3.389 0.229 3 0 "[ . 1 . 2]" 1
578 1 62 MET ME 1 64 TRP HE1 . . 3.460 2.995 2.019 3.467 0.007 13 0 "[ . 1 . 2]" 1
579 1 62 MET ME 1 64 TRP HZ2 . . 2.970 2.468 1.876 2.968 . 0 0 "[ . 1 . 2]" 1
580 1 62 MET ME 1 88 TYR QD . . 3.410 2.611 1.918 3.354 . 0 0 "[ . 1 . 2]" 1
581 1 62 MET ME 1 88 TYR QE . . 3.650 3.368 2.823 3.703 0.053 5 0 "[ . 1 . 2]" 1
582 1 63 GLU H 1 63 GLU HG3 . . 3.890 2.662 1.947 3.499 . 0 0 "[ . 1 . 2]" 1
583 1 63 GLU H 1 64 TRP H . . 4.530 4.361 2.597 4.611 0.081 19 0 "[ . 1 . 2]" 1
584 1 63 GLU HA 1 63 GLU HG3 . . 3.570 3.332 2.704 3.653 0.083 1 0 "[ . 1 . 2]" 1
585 1 63 GLU HA 1 64 TRP H . . 2.980 2.340 2.205 3.220 0.240 10 0 "[ . 1 . 2]" 1
586 1 63 GLU HA 1 64 TRP HD1 . . 4.160 3.734 3.075 4.180 0.020 16 0 "[ . 1 . 2]" 1
587 1 63 GLU HB3 1 64 TRP H . . 4.010 3.390 3.022 4.237 0.227 7 0 "[ . 1 . 2]" 1
588 1 63 GLU HG3 1 64 TRP H . . 4.920 5.276 4.754 5.591 0.671 7 8 "[*-* .*+ * * . * 2]" 1
589 1 64 TRP H 1 64 TRP HD1 . . 3.500 2.867 2.215 3.515 0.015 7 0 "[ . 1 . 2]" 1
590 1 64 TRP H 1 64 TRP HE1 . . 5.210 4.998 4.570 5.211 0.001 20 0 "[ . 1 . 2]" 1
591 1 64 TRP H 1 65 PHE H . . 4.920 4.468 4.259 4.661 . 0 0 "[ . 1 . 2]" 1
592 1 64 TRP HA 1 64 TRP HE3 . . 4.190 2.969 2.688 3.569 . 0 0 "[ . 1 . 2]" 1
593 1 64 TRP HA 1 65 PHE H . . 3.360 2.300 2.204 2.825 . 0 0 "[ . 1 . 2]" 1
594 1 64 TRP HE3 1 65 PHE H . . 4.480 3.954 3.516 4.475 . 0 0 "[ . 1 . 2]" 1
595 1 64 TRP HE3 1 90 ARG HE . . 5.060 4.122 2.617 5.094 0.034 2 0 "[ . 1 . 2]" 1
596 1 64 TRP HH2 1 88 TYR H . . 5.050 4.927 4.228 5.060 0.010 4 0 "[ . 1 . 2]" 1
597 1 64 TRP HH2 1 88 TYR HB3 . . 3.720 2.022 1.983 2.120 . 0 0 "[ . 1 . 2]" 1
598 1 64 TRP HH2 1 89 PHE H . . 4.690 3.301 2.803 4.089 . 0 0 "[ . 1 . 2]" 1
599 1 64 TRP HH2 1 105 MET ME . . 3.380 2.803 1.965 3.343 . 0 0 "[ . 1 . 2]" 1
600 1 64 TRP HH2 1 105 MET HG3 . . 4.220 2.559 1.997 3.248 . 0 0 "[ . 1 . 2]" 1
601 1 64 TRP HZ2 1 88 TYR HB3 . . 4.480 3.655 3.177 4.211 . 0 0 "[ . 1 . 2]" 1
602 1 64 TRP HZ2 1 105 MET ME . . 3.310 2.725 2.094 3.311 0.001 17 0 "[ . 1 . 2]" 1
603 1 64 TRP HZ3 1 89 PHE HA . . 3.500 2.243 1.985 2.749 . 0 0 "[ . 1 . 2]" 1
604 1 64 TRP HZ3 1 90 ARG H . . 4.080 3.050 2.508 3.656 . 0 0 "[ . 1 . 2]" 1
605 1 65 PHE H 1 65 PHE HB3 . . 3.800 3.384 3.029 3.796 . 0 0 "[ . 1 . 2]" 1
606 1 65 PHE H 1 65 PHE QD . . 4.100 3.469 2.426 4.088 . 0 0 "[ . 1 . 2]" 1
607 1 65 PHE HA 1 65 PHE QD . . 3.960 2.854 2.014 3.757 . 0 0 "[ . 1 . 2]" 1
608 1 65 PHE HA 1 66 THR H . . 3.540 2.779 2.193 3.639 0.099 5 0 "[ . 1 . 2]" 1
609 1 65 PHE HB3 1 66 THR H . . 4.410 3.424 1.949 4.435 0.025 19 0 "[ . 1 . 2]" 1
610 1 66 THR H 1 66 THR HB . . 3.430 2.857 2.297 3.423 . 0 0 "[ . 1 . 2]" 1
611 1 66 THR H 1 66 THR MG . . 4.380 3.798 3.639 4.051 . 0 0 "[ . 1 . 2]" 1
612 1 66 THR HA 1 66 THR MG . . 2.890 2.491 2.247 2.728 . 0 0 "[ . 1 . 2]" 1
613 1 66 THR HA 1 67 VAL H . . 3.390 2.204 2.149 2.468 . 0 0 "[ . 1 . 2]" 1
614 1 66 THR HA 1 68 ILE H . . 3.990 3.908 3.645 4.089 0.099 14 0 "[ . 1 . 2]" 1
615 1 66 THR HB 1 67 VAL H . . 4.840 4.377 3.781 4.662 . 0 0 "[ . 1 . 2]" 1
616 1 66 THR MG 1 67 VAL H . . 3.370 2.668 1.846 3.225 . 0 0 "[ . 1 . 2]" 1
617 1 66 THR MG 1 68 ILE H . . 3.230 2.959 2.427 3.207 . 0 0 "[ . 1 . 2]" 1
618 1 66 THR MG 1 68 ILE HA . . 4.020 3.683 3.446 3.864 . 0 0 "[ . 1 . 2]" 1
619 1 66 THR MG 1 69 GLU HG3 . . 3.280 2.348 1.869 2.982 . 0 0 "[ . 1 . 2]" 1
620 1 67 VAL H 1 67 VAL HB . . 3.530 2.385 2.174 2.758 . 0 0 "[ . 1 . 2]" 1
621 1 67 VAL H 1 68 ILE H . . 3.440 2.111 1.859 2.361 . 0 0 "[ . 1 . 2]" 1
622 1 67 VAL HA 1 67 VAL MG1 . . 2.760 2.516 2.389 2.627 . 0 0 "[ . 1 . 2]" 1
623 1 67 VAL HB 1 68 ILE H . . 3.290 2.696 2.534 2.973 . 0 0 "[ . 1 . 2]" 1
624 1 67 VAL HB 1 78 ILE MD . . 4.050 3.831 3.414 4.082 0.032 16 0 "[ . 1 . 2]" 1
625 1 67 VAL MG1 1 68 ILE H . . 3.440 3.294 3.037 3.443 0.003 9 0 "[ . 1 . 2]" 1
626 1 67 VAL MG1 1 68 ILE HB . . 3.120 2.612 2.386 2.770 . 0 0 "[ . 1 . 2]" 1
627 1 67 VAL MG1 1 78 ILE MD . . 3.090 2.121 1.719 2.429 . 0 0 "[ . 1 . 2]" 1
628 1 68 ILE H 1 68 ILE HB . . 3.860 3.031 2.926 3.144 . 0 0 "[ . 1 . 2]" 1
629 1 68 ILE H 1 68 ILE MG . . 4.120 2.894 2.723 3.165 . 0 0 "[ . 1 . 2]" 1
630 1 68 ILE H 1 69 GLU H . . 4.730 4.323 4.205 4.385 . 0 0 "[ . 1 . 2]" 1
631 1 68 ILE HA 1 68 ILE HG13 . . 3.600 2.343 1.976 3.509 . 0 0 "[ . 1 . 2]" 1
632 1 68 ILE HA 1 68 ILE MG . . 3.200 3.109 3.024 3.160 . 0 0 "[ . 1 . 2]" 1
633 1 68 ILE HA 1 69 GLU H . . 2.890 2.371 2.228 2.506 . 0 0 "[ . 1 . 2]" 1
634 1 68 ILE HB 1 68 ILE MD . . 3.190 2.276 1.943 3.215 0.025 20 0 "[ . 1 . 2]" 1
635 1 68 ILE MD 1 71 TYR QD . . 3.530 3.139 2.514 3.538 0.008 2 0 "[ . 1 . 2]" 1
636 1 68 ILE MD 1 71 TYR QE . . 4.110 2.849 1.993 4.103 . 0 0 "[ . 1 . 2]" 1
637 1 68 ILE HG13 1 68 ILE MG . . 3.300 2.921 2.380 3.228 . 0 0 "[ . 1 . 2]" 1
638 1 68 ILE HG13 1 69 GLU H . . 3.690 2.978 2.081 4.042 0.352 16 0 "[ . 1 . 2]" 1
639 1 68 ILE MG 1 69 GLU H . . 3.270 2.879 2.164 3.281 0.011 13 0 "[ . 1 . 2]" 1
640 1 68 ILE MG 1 71 TYR H . . 4.500 3.672 3.070 4.156 . 0 0 "[ . 1 . 2]" 1
641 1 68 ILE MG 1 71 TYR HB3 . . 3.860 3.585 2.488 3.878 0.018 5 0 "[ . 1 . 2]" 1
642 1 68 ILE MG 1 71 TYR QD . . 3.120 2.540 1.910 3.056 . 0 0 "[ . 1 . 2]" 1
643 1 68 ILE MG 1 71 TYR QE . . 4.090 3.531 3.062 3.912 . 0 0 "[ . 1 . 2]" 1
644 1 69 GLU H 1 69 GLU HB3 . . 3.810 3.804 3.641 3.906 0.096 14 0 "[ . 1 . 2]" 1
645 1 69 GLU H 1 69 GLU HG3 . . 3.810 3.602 3.007 3.945 0.135 20 0 "[ . 1 . 2]" 1
646 1 69 GLU HA 1 70 HIS H . . 3.530 2.329 2.227 2.450 . 0 0 "[ . 1 . 2]" 1
647 1 69 GLU HA 1 71 TYR H . . 4.790 4.065 3.503 4.757 . 0 0 "[ . 1 . 2]" 1
648 1 69 GLU HB3 1 70 HIS H . . 4.080 2.920 2.570 3.309 . 0 0 "[ . 1 . 2]" 1
649 1 70 HIS H 1 71 TYR H . . 4.060 2.967 2.577 3.505 . 0 0 "[ . 1 . 2]" 1
650 1 70 HIS HB3 1 70 HIS HD2 . . 3.690 3.818 2.914 3.989 0.299 9 0 "[ . 1 . 2]" 1
651 1 70 HIS HB3 1 71 TYR H . . 4.530 4.514 4.393 4.651 0.121 18 0 "[ . 1 . 2]" 1
652 1 71 TYR H 1 71 TYR HB3 . . 3.560 2.640 2.458 2.769 . 0 0 "[ . 1 . 2]" 1
653 1 71 TYR H 1 71 TYR QD . . 4.100 4.007 3.867 4.209 0.109 12 0 "[ . 1 . 2]" 1
654 1 71 TYR HA 1 71 TYR QD . . 3.310 2.129 1.989 2.656 . 0 0 "[ . 1 . 2]" 1
655 1 71 TYR QD 1 72 HIS H . . 4.750 2.740 1.922 3.776 . 0 0 "[ . 1 . 2]" 1
656 1 71 TYR QD 1 73 ARG H . . 4.030 3.653 2.260 4.244 0.214 12 0 "[ . 1 . 2]" 1
657 1 71 TYR QD 1 76 ALA MB . . 3.690 3.586 2.874 3.702 0.012 16 0 "[ . 1 . 2]" 1
658 1 71 TYR QE 1 73 ARG H . . 3.980 3.857 3.003 3.993 0.013 12 0 "[ . 1 . 2]" 1
659 1 71 TYR QE 1 73 ARG HB3 . . 3.900 3.043 2.402 3.717 . 0 0 "[ . 1 . 2]" 1
660 1 71 TYR QE 1 75 SER H . . 3.930 3.358 2.822 4.028 0.098 12 0 "[ . 1 . 2]" 1
661 1 71 TYR QE 1 76 ALA MB . . 3.160 2.302 1.813 2.529 . 0 0 "[ . 1 . 2]" 1
662 1 72 HIS H 1 72 HIS HB3 . . 4.100 3.186 2.477 3.776 . 0 0 "[ . 1 . 2]" 1
663 1 72 HIS H 1 73 ARG H . . 4.530 2.519 2.074 3.366 . 0 0 "[ . 1 . 2]" 1
664 1 72 HIS HB3 1 73 ARG H . . 4.900 2.663 2.015 4.275 . 0 0 "[ . 1 . 2]" 1
665 1 73 ARG H 1 73 ARG HG3 . . 4.580 3.885 3.419 4.344 . 0 0 "[ . 1 . 2]" 1
666 1 73 ARG H 1 74 THR H . . 5.000 4.597 4.453 4.672 . 0 0 "[ . 1 . 2]" 1
667 1 73 ARG HA 1 73 ARG HG3 . . 3.570 2.832 2.099 3.552 . 0 0 "[ . 1 . 2]" 1
668 1 73 ARG HA 1 74 THR H . . 3.410 2.695 2.532 2.968 . 0 0 "[ . 1 . 2]" 1
669 1 73 ARG HB3 1 74 THR H . . 3.510 2.347 1.880 2.810 . 0 0 "[ . 1 . 2]" 1
670 1 73 ARG HB3 1 75 SER H . . 3.640 2.007 1.935 2.154 . 0 0 "[ . 1 . 2]" 1
671 1 73 ARG HG3 1 74 THR H . . 4.600 3.493 2.161 4.665 0.065 7 0 "[ . 1 . 2]" 1
672 1 73 ARG HG3 1 75 SER H . . 4.840 4.230 3.459 4.733 . 0 0 "[ . 1 . 2]" 1
673 1 74 THR H 1 74 THR MG . . 3.480 2.769 2.354 3.352 . 0 0 "[ . 1 . 2]" 1
674 1 74 THR H 1 75 SER H . . 3.300 2.173 1.974 2.332 . 0 0 "[ . 1 . 2]" 1
675 1 74 THR HA 1 74 THR MG . . 2.980 2.399 2.177 2.574 . 0 0 "[ . 1 . 2]" 1
676 1 74 THR HA 1 75 SER H . . 3.610 3.245 3.001 3.379 . 0 0 "[ . 1 . 2]" 1
677 1 74 THR MG 1 75 SER H . . 4.460 4.260 4.107 4.426 . 0 0 "[ . 1 . 2]" 1
678 1 75 SER H 1 75 SER HB3 . . 3.820 3.676 3.544 3.824 0.004 3 0 "[ . 1 . 2]" 1
679 1 75 SER H 1 76 ALA H . . 4.710 4.384 4.253 4.457 . 0 0 "[ . 1 . 2]" 1
680 1 75 SER HA 1 76 ALA H . . 3.150 2.345 2.278 2.671 . 0 0 "[ . 1 . 2]" 1
681 1 75 SER HB3 1 76 ALA H . . 3.650 3.585 3.316 3.669 0.019 11 0 "[ . 1 . 2]" 1
682 1 76 ALA H 1 76 ALA MB . . 3.420 2.657 2.530 2.740 . 0 0 "[ . 1 . 2]" 1
683 1 76 ALA H 1 77 THR H . . 4.930 4.292 4.150 4.430 . 0 0 "[ . 1 . 2]" 1
684 1 76 ALA HA 1 77 THR H . . 3.120 2.284 2.206 2.452 . 0 0 "[ . 1 . 2]" 1
685 1 76 ALA MB 1 77 THR H . . 3.170 2.928 2.504 3.174 0.004 16 0 "[ . 1 . 2]" 1
686 1 77 THR H 1 77 THR HB . . 3.120 2.427 2.300 2.671 . 0 0 "[ . 1 . 2]" 1
687 1 77 THR H 1 77 THR MG . . 3.870 3.754 3.697 3.877 0.007 14 0 "[ . 1 . 2]" 1
688 1 77 THR H 1 78 ILE H . . 4.990 4.434 3.960 4.614 . 0 0 "[ . 1 . 2]" 1
689 1 77 THR HA 1 77 THR MG . . 3.090 2.414 2.327 2.488 . 0 0 "[ . 1 . 2]" 1
690 1 77 THR HA 1 78 ILE H . . 3.280 2.171 2.150 2.213 . 0 0 "[ . 1 . 2]" 1
691 1 77 THR MG 1 78 ILE H . . 3.390 2.797 2.302 3.328 . 0 0 "[ . 1 . 2]" 1
692 1 78 ILE H 1 78 ILE HB . . 3.630 2.506 2.396 2.578 . 0 0 "[ . 1 . 2]" 1
693 1 78 ILE H 1 78 ILE MD . . 3.700 3.477 3.196 3.723 0.023 16 0 "[ . 1 . 2]" 1
694 1 78 ILE H 1 78 ILE HG13 . . 4.000 3.484 3.231 3.932 . 0 0 "[ . 1 . 2]" 1
695 1 78 ILE HA 1 78 ILE MD . . 3.050 2.155 1.964 2.319 . 0 0 "[ . 1 . 2]" 1
696 1 78 ILE HA 1 78 ILE HG13 . . 4.170 3.806 3.694 3.852 . 0 0 "[ . 1 . 2]" 1
697 1 78 ILE HA 1 78 ILE MG . . 3.060 2.316 2.262 2.426 . 0 0 "[ . 1 . 2]" 1
698 1 78 ILE HA 1 79 THR H . . 2.860 2.381 2.244 2.493 . 0 0 "[ . 1 . 2]" 1
699 1 78 ILE HA 1 79 THR MG . . 4.220 3.624 3.470 3.817 . 0 0 "[ . 1 . 2]" 1
700 1 78 ILE HB 1 78 ILE MD . . 3.270 3.193 3.167 3.211 . 0 0 "[ . 1 . 2]" 1
701 1 78 ILE HB 1 79 THR H . . 4.900 3.757 3.514 4.002 . 0 0 "[ . 1 . 2]" 1
702 1 78 ILE HB 1 81 LEU MD1 . . 3.760 2.530 2.263 3.067 . 0 0 "[ . 1 . 2]" 1
703 1 78 ILE MD 1 78 ILE MG . . 2.540 1.925 1.866 2.063 . 0 0 "[ . 1 . 2]" 1
704 1 78 ILE MD 1 79 THR H . . 3.720 3.638 3.153 3.747 0.027 17 0 "[ . 1 . 2]" 1
705 1 78 ILE MD 1 89 PHE QD . . 3.870 3.222 2.634 3.880 0.010 3 0 "[ . 1 . 2]" 1
706 1 78 ILE MD 1 89 PHE QE . . 3.910 3.145 2.476 3.767 . 0 0 "[ . 1 . 2]" 1
707 1 78 ILE MG 1 79 THR H . . 3.260 2.022 1.843 2.359 . 0 0 "[ . 1 . 2]" 1
708 1 78 ILE MG 1 81 LEU MD2 . . 3.050 2.506 2.078 3.075 0.025 8 0 "[ . 1 . 2]" 1
709 1 78 ILE MG 1 89 PHE QE . . 3.230 2.279 1.960 2.622 . 0 0 "[ . 1 . 2]" 1
710 1 78 ILE MG 1 89 PHE HZ . . 4.120 3.667 3.207 4.125 0.005 19 0 "[ . 1 . 2]" 1
711 1 79 THR H 1 79 THR HB . . 4.180 3.601 3.218 3.786 . 0 0 "[ . 1 . 2]" 1
712 1 79 THR H 1 79 THR MG . . 3.160 2.929 2.106 3.208 0.048 15 0 "[ . 1 . 2]" 1
713 1 79 THR H 1 80 GLU H . . 4.650 4.356 4.120 4.469 . 0 0 "[ . 1 . 2]" 1
714 1 79 THR HA 1 79 THR MG . . 3.070 2.589 2.356 3.235 0.165 8 0 "[ . 1 . 2]" 1
715 1 79 THR HA 1 81 LEU H . . 4.470 4.011 3.167 4.451 . 0 0 "[ . 1 . 2]" 1
716 1 79 THR HB 1 80 GLU H . . 3.270 2.516 2.027 3.548 0.278 9 0 "[ . 1 . 2]" 1
717 1 79 THR MG 1 80 GLU H . . 3.490 3.278 2.085 3.538 0.048 15 0 "[ . 1 . 2]" 1
718 1 80 GLU H 1 80 GLU HG3 . . 3.910 3.112 2.515 3.658 . 0 0 "[ . 1 . 2]" 1
719 1 80 GLU H 1 81 LEU H . . 3.930 3.043 2.849 3.414 . 0 0 "[ . 1 . 2]" 1
720 1 80 GLU HA 1 80 GLU HG3 . . 3.440 2.901 2.518 3.252 . 0 0 "[ . 1 . 2]" 1
721 1 81 LEU H 1 81 LEU HB3 . . 3.230 3.734 3.517 3.864 0.634 16 11 "[* **.*- ** **+ * 2]" 1
722 1 81 LEU H 1 81 LEU MD1 . . 4.030 3.976 3.689 4.049 0.019 15 0 "[ . 1 . 2]" 1
723 1 81 LEU H 1 81 LEU MD2 . . 4.040 3.981 3.826 4.045 0.005 14 0 "[ . 1 . 2]" 1
724 1 81 LEU H 1 81 LEU HG . . 3.540 3.057 2.912 3.206 . 0 0 "[ . 1 . 2]" 1
725 1 81 LEU H 1 82 VAL H . . 4.990 4.409 4.212 4.592 . 0 0 "[ . 1 . 2]" 1
726 1 81 LEU HA 1 81 LEU MD1 . . 3.990 3.897 3.842 3.941 . 0 0 "[ . 1 . 2]" 1
727 1 81 LEU HA 1 81 LEU MD2 . . 2.940 2.163 1.958 2.335 . 0 0 "[ . 1 . 2]" 1
728 1 81 LEU HA 1 81 LEU HG . . 3.940 2.967 2.760 3.136 . 0 0 "[ . 1 . 2]" 1
729 1 81 LEU HA 1 82 VAL H . . 3.310 2.255 2.186 2.486 . 0 0 "[ . 1 . 2]" 1
730 1 81 LEU HA 1 82 VAL QG . . 3.660 3.545 3.297 3.700 0.040 19 0 "[ . 1 . 2]" 1
731 1 81 LEU HA 1 87 TYR QE . . 4.250 3.723 3.272 4.242 . 0 0 "[ . 1 . 2]" 1
732 1 81 LEU HB3 1 81 LEU MD1 . . 3.600 2.485 2.389 2.550 . 0 0 "[ . 1 . 2]" 1
733 1 81 LEU HB3 1 82 VAL H . . 4.230 3.096 2.455 3.396 . 0 0 "[ . 1 . 2]" 1
734 1 81 LEU HB3 1 112 ILE MG . . 4.190 3.041 2.393 4.092 . 0 0 "[ . 1 . 2]" 1
735 1 81 LEU MD1 1 82 VAL H . . 5.500 5.020 4.585 5.284 . 0 0 "[ . 1 . 2]" 1
736 1 81 LEU MD1 1 89 PHE QE . . 3.700 3.656 3.563 3.718 0.018 19 0 "[ . 1 . 2]" 1
737 1 81 LEU MD1 1 89 PHE HZ . . 3.320 2.996 2.617 3.327 0.007 11 0 "[ . 1 . 2]" 1
738 1 81 LEU MD2 1 82 VAL H . . 3.830 3.459 2.997 3.762 . 0 0 "[ . 1 . 2]" 1
739 1 81 LEU MD2 1 87 TYR QE . . 3.450 2.955 2.534 3.453 0.003 1 0 "[ . 1 . 2]" 1
740 1 81 LEU MD2 1 89 PHE QE . . 3.670 3.504 3.039 3.672 0.002 4 0 "[ . 1 . 2]" 1
741 1 81 LEU MD2 1 89 PHE HZ . . 4.400 3.401 3.017 4.007 . 0 0 "[ . 1 . 2]" 1
742 1 82 VAL H 1 82 VAL HB . . 3.440 2.529 2.271 3.257 . 0 0 "[ . 1 . 2]" 1
743 1 82 VAL H 1 82 VAL QG . . 3.030 2.222 1.832 2.737 . 0 0 "[ . 1 . 2]" 1
744 1 82 VAL H 1 83 ILE H . . 4.820 4.535 4.265 4.627 . 0 0 "[ . 1 . 2]" 1
745 1 82 VAL H 1 87 TYR QE . . 3.820 2.953 1.962 3.583 . 0 0 "[ . 1 . 2]" 1
746 1 82 VAL HA 1 82 VAL QG . . 2.940 2.240 2.110 2.463 . 0 0 "[ . 1 . 2]" 1
747 1 82 VAL HA 1 83 ILE H . . 2.860 2.230 2.190 2.296 . 0 0 "[ . 1 . 2]" 1
748 1 82 VAL HA 1 83 ILE HG13 . . 4.120 3.690 3.468 3.957 . 0 0 "[ . 1 . 2]" 1
749 1 82 VAL HB 1 83 ILE H . . 4.940 4.216 3.920 4.519 . 0 0 "[ . 1 . 2]" 1
750 1 82 VAL HB 1 85 ASN HB3 . . 4.130 5.160 4.557 5.936 1.806 20 18 "[*********** *-****+]" 1
751 1 82 VAL HB 1 85 ASN HD21 . . 3.960 3.458 2.566 4.134 0.174 10 0 "[ . 1 . 2]" 1
752 1 82 VAL QG 1 83 ILE H . . 3.320 2.315 1.979 2.922 . 0 0 "[ . 1 . 2]" 1
753 1 82 VAL QG 1 83 ILE HB . . 3.940 3.818 3.716 3.920 . 0 0 "[ . 1 . 2]" 1
754 1 82 VAL QG 1 85 ASN HD21 . . 3.800 2.092 1.695 2.761 . 0 0 "[ . 1 . 2]" 1
755 1 82 VAL QG 1 85 ASN HD22 . . 3.790 3.033 2.637 3.721 . 0 0 "[ . 1 . 2]" 1
756 1 83 ILE H 1 83 ILE HB . . 3.030 2.347 2.232 2.491 . 0 0 "[ . 1 . 2]" 1
757 1 83 ILE H 1 83 ILE MD . . 3.610 3.544 2.974 3.642 0.032 8 0 "[ . 1 . 2]" 1
758 1 83 ILE H 1 83 ILE HG13 . . 3.450 2.317 1.955 2.459 . 0 0 "[ . 1 . 2]" 1
759 1 83 ILE H 1 83 ILE MG . . 3.760 3.700 3.650 3.734 . 0 0 "[ . 1 . 2]" 1
760 1 83 ILE HA 1 83 ILE HG13 . . 3.760 2.895 2.630 3.166 . 0 0 "[ . 1 . 2]" 1
761 1 83 ILE HA 1 83 ILE MG . . 3.040 2.430 2.337 2.501 . 0 0 "[ . 1 . 2]" 1
762 1 83 ILE HA 1 84 GLY H . . 3.110 2.214 2.178 2.316 . 0 0 "[ . 1 . 2]" 1
763 1 83 ILE HA 1 85 ASN H . . 4.050 3.684 3.284 3.976 . 0 0 "[ . 1 . 2]" 1
764 1 83 ILE HA 1 112 ILE HB . . 3.650 2.320 2.000 2.765 . 0 0 "[ . 1 . 2]" 1
765 1 83 ILE HA 1 112 ILE MG . . 3.010 1.937 1.808 2.057 . 0 0 "[ . 1 . 2]" 1
766 1 83 ILE HB 1 83 ILE MD . . 2.830 2.255 2.134 2.407 . 0 0 "[ . 1 . 2]" 1
767 1 83 ILE HB 1 112 ILE MG . . 3.970 3.889 3.715 4.023 0.053 10 0 "[ . 1 . 2]" 1
768 1 83 ILE MD 1 114 ARG HA . . 3.280 3.058 2.319 3.290 0.010 10 0 "[ . 1 . 2]" 1
769 1 83 ILE MD 1 114 ARG HB3 . . 3.840 3.420 1.927 3.913 0.073 8 0 "[ . 1 . 2]" 1
770 1 83 ILE HG13 1 112 ILE MG . . 3.600 2.656 2.211 3.338 . 0 0 "[ . 1 . 2]" 1
771 1 83 ILE MG 1 84 GLY H . . 3.160 2.653 2.038 3.194 0.034 16 0 "[ . 1 . 2]" 1
772 1 83 ILE MG 1 113 ALA HA . . 3.620 2.186 1.795 3.497 . 0 0 "[ . 1 . 2]" 1
773 1 83 ILE MG 1 114 ARG H . . 4.160 2.649 2.046 3.377 . 0 0 "[ . 1 . 2]" 1
774 1 84 GLY H 1 85 ASN H . . 3.590 2.212 1.928 2.588 . 0 0 "[ . 1 . 2]" 1
775 1 84 GLY H 1 112 ILE HB . . 3.860 2.510 2.048 3.017 . 0 0 "[ . 1 . 2]" 1
776 1 84 GLY H 1 112 ILE MG . . 3.530 3.350 2.926 3.541 0.011 15 0 "[ . 1 . 2]" 1
777 1 85 ASN H 1 85 ASN HB3 . . 3.560 3.644 3.282 3.822 0.262 8 0 "[ . 1 . 2]" 1
778 1 85 ASN H 1 86 GLU H . . 4.540 4.427 4.309 4.580 0.040 20 0 "[ . 1 . 2]" 1
779 1 85 ASN H 1 87 TYR QE . . 4.340 3.969 3.456 4.340 . 0 0 "[ . 1 . 2]" 1
780 1 85 ASN H 1 112 ILE HB . . 4.150 2.987 2.626 3.498 . 0 0 "[ . 1 . 2]" 1
781 1 85 ASN H 1 112 ILE MG . . 4.560 4.268 3.896 4.527 . 0 0 "[ . 1 . 2]" 1
782 1 85 ASN HB3 1 86 GLU H . . 3.980 2.565 2.177 2.701 . 0 0 "[ . 1 . 2]" 1
783 1 85 ASN HB3 1 87 TYR QE . . 3.630 3.268 2.899 3.692 0.062 16 0 "[ . 1 . 2]" 1
784 1 86 GLU HA 1 87 TYR H . . 3.100 2.440 2.247 2.546 . 0 0 "[ . 1 . 2]" 1
785 1 86 GLU HA 1 87 TYR QD . . 3.910 2.939 2.357 3.460 . 0 0 "[ . 1 . 2]" 1
786 1 86 GLU HA 1 110 ALA H . . 4.750 4.542 4.101 4.810 0.060 18 0 "[ . 1 . 2]" 1
787 1 86 GLU HA 1 111 VAL HA . . 3.330 2.636 2.166 2.991 . 0 0 "[ . 1 . 2]" 1
788 1 86 GLU HA 1 111 VAL QG . . 3.720 3.326 2.799 3.589 . 0 0 "[ . 1 . 2]" 1
789 1 86 GLU HA 1 112 ILE H . . 4.040 3.202 2.709 3.737 . 0 0 "[ . 1 . 2]" 1
790 1 87 TYR H 1 87 TYR QD . . 3.970 2.894 2.227 3.536 . 0 0 "[ . 1 . 2]" 1
791 1 87 TYR H 1 88 TYR HA . . 5.020 4.666 4.575 4.830 . 0 0 "[ . 1 . 2]" 1
792 1 87 TYR H 1 110 ALA H . . 4.060 2.846 2.478 3.343 . 0 0 "[ . 1 . 2]" 1
793 1 87 TYR H 1 110 ALA MB . . 4.510 3.559 3.220 3.819 . 0 0 "[ . 1 . 2]" 1
794 1 87 TYR H 1 111 VAL HA . . 4.390 4.200 3.828 4.403 0.013 3 0 "[ . 1 . 2]" 1
795 1 87 TYR H 1 111 VAL QG . . 4.820 4.428 4.095 4.639 . 0 0 "[ . 1 . 2]" 1
796 1 87 TYR HA 1 87 TYR QD . . 3.920 3.057 2.826 3.277 . 0 0 "[ . 1 . 2]" 1
797 1 87 TYR HA 1 88 TYR H . . 3.090 2.425 2.296 2.545 . 0 0 "[ . 1 . 2]" 1
798 1 87 TYR QD 1 88 TYR H . . 4.560 3.907 3.252 4.245 . 0 0 "[ . 1 . 2]" 1
799 1 87 TYR QD 1 110 ALA MB . . 4.300 4.085 3.366 4.315 0.015 4 0 "[ . 1 . 2]" 1
800 1 87 TYR QD 1 112 ILE H . . 4.730 3.917 3.585 4.389 . 0 0 "[ . 1 . 2]" 1
801 1 87 TYR QD 1 112 ILE MD . . 3.680 3.054 2.678 3.545 . 0 0 "[ . 1 . 2]" 1
802 1 87 TYR QD 1 112 ILE HG13 . . 3.830 3.158 2.689 3.943 0.113 13 0 "[ . 1 . 2]" 1
803 1 87 TYR QE 1 112 ILE H . . 4.980 4.218 3.360 4.868 . 0 0 "[ . 1 . 2]" 1
804 1 87 TYR QE 1 112 ILE HB . . 4.060 3.533 2.755 4.061 0.001 19 0 "[ . 1 . 2]" 1
805 1 87 TYR QE 1 112 ILE MD . . 3.740 3.694 3.472 3.750 0.010 10 0 "[ . 1 . 2]" 1
806 1 87 TYR QE 1 112 ILE HG13 . . 3.810 2.361 2.065 2.767 . 0 0 "[ . 1 . 2]" 1
807 1 88 TYR H 1 88 TYR QD . . 3.950 3.467 3.158 3.838 . 0 0 "[ . 1 . 2]" 1
808 1 88 TYR HA 1 88 TYR QD . . 3.400 2.365 2.041 2.676 . 0 0 "[ . 1 . 2]" 1
809 1 88 TYR HA 1 89 PHE H . . 3.370 2.444 2.238 2.702 . 0 0 "[ . 1 . 2]" 1
810 1 88 TYR HB3 1 89 PHE H . . 3.920 2.670 2.051 3.263 . 0 0 "[ . 1 . 2]" 1
811 1 88 TYR HB3 1 105 MET ME . . 3.430 2.465 2.120 2.803 . 0 0 "[ . 1 . 2]" 1
812 1 88 TYR QD 1 89 PHE H . . 3.960 3.206 3.035 3.493 . 0 0 "[ . 1 . 2]" 1
813 1 88 TYR QD 1 105 MET ME . . 3.150 2.601 2.311 2.966 . 0 0 "[ . 1 . 2]" 1
814 1 88 TYR QD 1 105 MET HG3 . . 4.010 3.955 3.408 4.354 0.344 17 0 "[ . 1 . 2]" 1
815 1 88 TYR QD 1 106 THR HG1 . . 3.360 2.990 2.277 3.358 . 0 0 "[ . 1 . 2]" 1
816 1 88 TYR QE 1 105 MET ME . . 3.310 3.152 2.882 3.318 0.008 16 0 "[ . 1 . 2]" 1
817 1 88 TYR QE 1 106 THR HG1 . . 4.260 4.159 3.475 4.300 0.040 5 0 "[ . 1 . 2]" 1
818 1 88 TYR QE 1 109 SER H . . 4.090 3.970 3.050 4.098 0.008 14 0 "[ . 1 . 2]" 1
819 1 88 TYR QE 1 109 SER HA . . 4.040 3.715 3.080 4.044 0.004 20 0 "[ . 1 . 2]" 1
820 1 89 PHE H 1 89 PHE QD . . 3.980 3.097 2.400 3.712 . 0 0 "[ . 1 . 2]" 1
821 1 89 PHE H 1 106 THR H . . 4.340 3.467 2.783 3.725 . 0 0 "[ . 1 . 2]" 1
822 1 89 PHE H 1 106 THR HG1 . . 4.090 3.636 2.870 4.094 0.004 6 0 "[ . 1 . 2]" 1
823 1 89 PHE H 1 106 THR MG . . 3.820 3.341 2.754 3.824 0.004 5 0 "[ . 1 . 2]" 1
824 1 89 PHE HA 1 89 PHE QD . . 3.760 2.815 2.326 3.274 . 0 0 "[ . 1 . 2]" 1
825 1 89 PHE HA 1 90 ARG H . . 3.280 2.326 2.232 2.420 . 0 0 "[ . 1 . 2]" 1
826 1 89 PHE HB3 1 90 ARG H . . 4.030 2.960 2.717 3.274 . 0 0 "[ . 1 . 2]" 1
827 1 89 PHE HB3 1 106 THR MG . . 3.680 3.645 3.501 3.703 0.023 14 0 "[ . 1 . 2]" 1
828 1 89 PHE QD 1 90 ARG H . . 4.400 4.152 3.737 4.373 . 0 0 "[ . 1 . 2]" 1
829 1 89 PHE QD 1 106 THR MG . . 3.320 2.588 1.999 3.069 . 0 0 "[ . 1 . 2]" 1
830 1 89 PHE QD 1 110 ALA MB . . 3.820 3.453 2.980 3.782 . 0 0 "[ . 1 . 2]" 1
831 1 89 PHE QE 1 110 ALA H . . 5.060 3.324 2.383 4.054 . 0 0 "[ . 1 . 2]" 1
832 1 89 PHE QE 1 110 ALA MB . . 3.080 1.914 1.770 2.153 . 0 0 "[ . 1 . 2]" 1
833 1 89 PHE HZ 1 110 ALA MB . . 3.700 3.157 2.745 3.536 . 0 0 "[ . 1 . 2]" 1
834 1 90 ARG H 1 90 ARG HG3 . . 4.250 3.525 2.192 4.903 0.653 11 1 "[ . 1+ . 2]" 1
835 1 90 ARG HA 1 91 VAL H . . 3.290 2.260 2.226 2.461 . 0 0 "[ . 1 . 2]" 1
836 1 90 ARG HA 1 103 ALA MB . . 3.880 3.553 3.114 3.869 . 0 0 "[ . 1 . 2]" 1
837 1 90 ARG HA 1 105 MET HA . . 3.460 2.592 2.369 2.888 . 0 0 "[ . 1 . 2]" 1
838 1 90 ARG HA 1 106 THR H . . 4.260 3.990 3.543 4.301 0.041 11 0 "[ . 1 . 2]" 1
839 1 90 ARG HB3 1 103 ALA MB . . 3.670 2.886 1.889 3.855 0.185 11 0 "[ . 1 . 2]" 1
840 1 90 ARG HD3 1 103 ALA MB . . 3.830 3.305 1.893 3.934 0.104 14 0 "[ . 1 . 2]" 1
841 1 90 ARG HE 1 92 PHE QE . . 3.830 3.253 1.954 3.868 0.038 14 0 "[ . 1 . 2]" 1
842 1 90 ARG HE 1 92 PHE HZ . . 4.120 3.135 2.008 4.132 0.012 1 0 "[ . 1 . 2]" 1
843 1 90 ARG HE 1 103 ALA MB . . 4.980 3.744 2.581 4.907 . 0 0 "[ . 1 . 2]" 1
844 1 91 VAL H 1 91 VAL HB . . 4.040 2.425 2.353 2.813 . 0 0 "[ . 1 . 2]" 1
845 1 91 VAL H 1 91 VAL MG2 . . 3.750 2.653 2.430 3.023 . 0 0 "[ . 1 . 2]" 1
846 1 91 VAL H 1 103 ALA MB . . 3.860 3.153 1.981 3.734 . 0 0 "[ . 1 . 2]" 1
847 1 91 VAL H 1 104 THR H . . 3.910 3.773 3.301 3.916 0.006 9 0 "[ . 1 . 2]" 1
848 1 91 VAL H 1 105 MET HA . . 4.190 4.135 4.044 4.231 0.041 5 0 "[ . 1 . 2]" 1
849 1 91 VAL HA 1 91 VAL MG1 . . 3.340 2.478 2.368 2.529 . 0 0 "[ . 1 . 2]" 1
850 1 91 VAL HA 1 91 VAL MG2 . . 3.490 2.324 2.219 2.445 . 0 0 "[ . 1 . 2]" 1
851 1 91 VAL HA 1 92 PHE H . . 3.470 2.244 2.193 2.370 . 0 0 "[ . 1 . 2]" 1
852 1 91 VAL HB 1 92 PHE H . . 4.810 4.185 3.907 4.502 . 0 0 "[ . 1 . 2]" 1
853 1 91 VAL MG1 1 92 PHE H . . 3.660 2.428 2.066 3.129 . 0 0 "[ . 1 . 2]" 1
854 1 91 VAL MG2 1 92 PHE H . . 4.580 4.006 3.853 4.237 . 0 0 "[ . 1 . 2]" 1
855 1 92 PHE H 1 92 PHE QD . . 3.960 2.729 1.946 3.661 . 0 0 "[ . 1 . 2]" 1
856 1 92 PHE HA 1 92 PHE QD . . 4.420 2.836 1.984 3.273 . 0 0 "[ . 1 . 2]" 1
857 1 92 PHE HA 1 93 SER H . . 3.530 2.581 2.198 2.898 . 0 0 "[ . 1 . 2]" 1
858 1 92 PHE HA 1 100 SER HG . . 4.350 3.204 2.485 4.376 0.026 2 0 "[ . 1 . 2]" 1
859 1 92 PHE HA 1 103 ALA HA . . 3.830 3.494 2.988 3.839 0.009 12 0 "[ . 1 . 2]" 1
860 1 92 PHE HA 1 104 THR H . . 4.990 4.503 4.246 4.796 . 0 0 "[ . 1 . 2]" 1
861 1 92 PHE HB3 1 93 SER H . . 4.220 2.405 1.947 3.505 . 0 0 "[ . 1 . 2]" 1
862 1 92 PHE HB3 1 99 LEU QD . . 3.530 2.170 1.920 2.791 . 0 0 "[ . 1 . 2]" 1
863 1 92 PHE HB3 1 100 SER H . . 4.340 2.715 2.263 3.265 . 0 0 "[ . 1 . 2]" 1
864 1 92 PHE QD 1 93 SER H . . 4.720 3.659 2.783 4.651 . 0 0 "[ . 1 . 2]" 1
865 1 92 PHE QD 1 99 LEU HB3 . . 4.300 3.270 2.505 3.750 . 0 0 "[ . 1 . 2]" 1
866 1 92 PHE QD 1 99 LEU QD . . 3.540 3.108 2.078 3.504 . 0 0 "[ . 1 . 2]" 1
867 1 92 PHE QD 1 100 SER H . . 4.340 3.037 1.923 3.804 . 0 0 "[ . 1 . 2]" 1
868 1 92 PHE QD 1 100 SER HG . . 3.860 2.579 1.998 3.824 . 0 0 "[ . 1 . 2]" 1
869 1 92 PHE QD 1 103 ALA H . . 5.140 4.915 3.883 5.167 0.027 14 0 "[ . 1 . 2]" 1
870 1 92 PHE QD 1 103 ALA MB . . 3.790 2.656 1.943 2.858 . 0 0 "[ . 1 . 2]" 1
871 1 92 PHE QE 1 103 ALA H . . 4.680 3.971 2.559 4.630 . 0 0 "[ . 1 . 2]" 1
872 1 92 PHE QE 1 103 ALA MB . . 3.510 2.483 2.029 2.908 . 0 0 "[ . 1 . 2]" 1
873 1 92 PHE HZ 1 103 ALA MB . . 4.190 3.113 2.283 3.989 . 0 0 "[ . 1 . 2]" 1
874 1 93 SER H 1 93 SER HG . . 4.640 2.798 1.937 3.467 . 0 0 "[ . 1 . 2]" 1
875 1 93 SER H 1 100 SER H . . 4.280 2.756 1.990 3.956 . 0 0 "[ . 1 . 2]" 1
876 1 93 SER H 1 100 SER HG . . 4.250 3.415 2.513 4.250 0.000 6 0 "[ . 1 . 2]" 1
877 1 93 SER HA 1 94 GLU H . . 3.410 2.260 2.217 2.365 . 0 0 "[ . 1 . 2]" 1
878 1 94 GLU H 1 94 GLU HG3 . . 4.200 4.014 3.026 4.455 0.255 20 0 "[ . 1 . 2]" 1
879 1 94 GLU H 1 95 ASN H . . 4.950 4.583 4.437 4.662 . 0 0 "[ . 1 . 2]" 1
880 1 94 GLU HA 1 94 GLU HG3 . . 3.830 3.293 2.437 3.604 . 0 0 "[ . 1 . 2]" 1
881 1 94 GLU HA 1 95 ASN H . . 3.250 2.453 2.306 2.682 . 0 0 "[ . 1 . 2]" 1
882 1 94 GLU HB3 1 95 ASN H . . 4.020 2.830 2.106 3.327 . 0 0 "[ . 1 . 2]" 1
883 1 94 GLU HG3 1 95 ASN H . . 4.720 4.458 3.427 4.706 . 0 0 "[ . 1 . 2]" 1
884 1 94 GLU HG3 1 99 LEU QD . . 3.830 2.561 1.889 3.334 . 0 0 "[ . 1 . 2]" 1
885 1 95 ASN H 1 97 CYS H . . 4.620 4.188 3.363 4.633 0.013 5 0 "[ . 1 . 2]" 1
886 1 95 ASN H 1 98 GLY H . . 3.900 3.764 3.397 3.923 0.023 1 0 "[ . 1 . 2]" 1
887 1 95 ASN HB3 1 96 MET H . . 4.200 3.337 2.024 4.015 . 0 0 "[ . 1 . 2]" 1
888 1 96 MET H 1 96 MET HB3 . . 3.950 2.911 2.377 3.868 . 0 0 "[ . 1 . 2]" 1
889 1 96 MET H 1 96 MET HG3 . . 3.810 2.701 1.951 3.691 . 0 0 "[ . 1 . 2]" 1
890 1 96 MET H 1 97 CYS H . . 4.270 2.663 1.876 3.557 . 0 0 "[ . 1 . 2]" 1
891 1 96 MET HA 1 96 MET HB3 . . 2.940 2.487 2.351 2.556 . 0 0 "[ . 1 . 2]" 1
892 1 96 MET HA 1 96 MET HG3 . . 3.720 3.649 3.263 4.024 0.304 2 0 "[ . 1 . 2]" 1
893 1 96 MET HB3 1 97 CYS H . . 4.610 4.176 3.433 4.723 0.113 2 0 "[ . 1 . 2]" 1
894 1 96 MET HG3 1 97 CYS H . . 4.170 3.086 1.918 5.075 0.905 2 3 "[ + . -1 . * 2]" 1
895 1 97 CYS H 1 97 CYS HB3 . . 3.560 3.186 2.624 3.565 0.005 2 0 "[ . 1 . 2]" 1
896 1 97 CYS H 1 98 GLY H . . 3.200 2.697 1.984 3.150 . 0 0 "[ . 1 . 2]" 1
897 1 97 CYS HB3 1 98 GLY H . . 4.010 2.617 1.940 3.994 . 0 0 "[ . 1 . 2]" 1
898 1 98 GLY H 1 99 LEU H . . 4.730 4.041 3.133 4.327 . 0 0 "[ . 1 . 2]" 1
899 1 98 GLY H 1 99 LEU HA . . 4.590 4.615 4.456 4.741 0.151 2 0 "[ . 1 . 2]" 1
900 1 98 GLY HA2 1 99 LEU H . . 3.310 2.817 2.217 3.285 . 0 0 "[ . 1 . 2]" 1
901 1 98 GLY HA2 1 99 LEU QD . . 3.940 3.143 2.530 3.882 . 0 0 "[ . 1 . 2]" 1
902 1 98 GLY HA3 1 99 LEU H . . 3.300 2.596 2.200 3.513 0.213 15 0 "[ . 1 . 2]" 1
903 1 99 LEU H 1 99 LEU HB3 . . 3.580 3.540 3.134 3.843 0.263 14 0 "[ . 1 . 2]" 1
904 1 99 LEU H 1 99 LEU QD . . 3.390 2.257 1.837 3.095 . 0 0 "[ . 1 . 2]" 1
905 1 99 LEU H 1 99 LEU HG . . 4.690 3.869 2.338 4.613 . 0 0 "[ . 1 . 2]" 1
906 1 99 LEU H 1 100 SER H . . 4.980 4.579 4.314 4.674 . 0 0 "[ . 1 . 2]" 1
907 1 99 LEU HA 1 99 LEU QD . . 3.230 2.162 1.857 3.070 . 0 0 "[ . 1 . 2]" 1
908 1 99 LEU HA 1 100 SER H . . 3.380 2.478 2.198 3.144 . 0 0 "[ . 1 . 2]" 1
909 1 99 LEU HB3 1 99 LEU QD . . 2.970 2.288 2.056 2.495 . 0 0 "[ . 1 . 2]" 1
910 1 99 LEU HB3 1 100 SER H . . 3.810 2.647 1.870 3.322 . 0 0 "[ . 1 . 2]" 1
911 1 99 LEU QD 1 100 SER H . . 3.640 3.060 1.949 3.566 . 0 0 "[ . 1 . 2]" 1
912 1 100 SER H 1 100 SER HG . . 4.710 3.166 2.236 4.397 . 0 0 "[ . 1 . 2]" 1
913 1 100 SER HA 1 101 GLU H . . 3.320 2.292 2.219 2.527 . 0 0 "[ . 1 . 2]" 1
914 1 100 SER HA 1 102 ASP H . . 4.100 4.033 3.718 4.131 0.031 14 0 "[ . 1 . 2]" 1
915 1 100 SER HB3 1 101 GLU H . . 4.160 4.052 3.757 4.317 0.157 1 0 "[ . 1 . 2]" 1
916 1 100 SER HG 1 101 GLU H . . 4.830 4.434 3.439 4.833 0.003 13 0 "[ . 1 . 2]" 1
917 1 100 SER HG 1 102 ASP H . . 4.520 3.398 2.110 4.471 . 0 0 "[ . 1 . 2]" 1
918 1 100 SER HG 1 103 ALA HA . . 4.110 3.323 2.826 3.967 . 0 0 "[ . 1 . 2]" 1
919 1 101 GLU H 1 101 GLU HB3 . . 3.370 3.305 3.236 3.369 . 0 0 "[ . 1 . 2]" 1
920 1 101 GLU H 1 101 GLU HG3 . . 3.770 3.568 3.251 3.773 0.003 6 0 "[ . 1 . 2]" 1
921 1 101 GLU H 1 102 ASP H . . 3.580 2.810 2.555 3.054 . 0 0 "[ . 1 . 2]" 1
922 1 101 GLU HA 1 101 GLU HG3 . . 3.480 3.176 3.018 3.348 . 0 0 "[ . 1 . 2]" 1
923 1 101 GLU HB3 1 102 ASP H . . 3.580 3.182 2.848 3.581 0.001 11 0 "[ . 1 . 2]" 1
924 1 102 ASP H 1 102 ASP HB3 . . 3.650 3.471 2.704 3.705 0.055 1 0 "[ . 1 . 2]" 1
925 1 102 ASP HB3 1 103 ALA H . . 3.390 3.302 2.234 3.687 0.297 12 0 "[ . 1 . 2]" 1
926 1 103 ALA H 1 103 ALA MB . . 3.240 2.452 2.359 2.542 . 0 0 "[ . 1 . 2]" 1
927 1 103 ALA HA 1 104 THR H . . 3.180 2.304 2.191 2.387 . 0 0 "[ . 1 . 2]" 1
928 1 103 ALA MB 1 104 THR H . . 3.360 2.891 2.672 3.247 . 0 0 "[ . 1 . 2]" 1
929 1 104 THR H 1 104 THR HB . . 3.620 2.273 2.102 2.519 . 0 0 "[ . 1 . 2]" 1
930 1 104 THR H 1 104 THR HG1 . . 4.490 3.010 2.036 3.669 . 0 0 "[ . 1 . 2]" 1
931 1 104 THR H 1 104 THR MG . . 4.340 3.680 3.597 3.750 . 0 0 "[ . 1 . 2]" 1
932 1 104 THR H 1 105 MET H . . 5.020 4.289 4.130 4.377 . 0 0 "[ . 1 . 2]" 1
933 1 104 THR HA 1 104 THR MG . . 3.150 2.460 2.219 2.603 . 0 0 "[ . 1 . 2]" 1
934 1 104 THR HA 1 105 MET H . . 2.770 2.193 2.159 2.211 . 0 0 "[ . 1 . 2]" 1
935 1 104 THR HG1 1 104 THR MG . . 2.970 2.559 2.025 2.996 0.026 8 0 "[ . 1 . 2]" 1
936 1 104 THR MG 1 105 MET H . . 3.310 3.274 3.055 3.337 0.027 5 0 "[ . 1 . 2]" 1
937 1 105 MET H 1 105 MET HB3 . . 3.320 2.574 2.310 2.829 . 0 0 "[ . 1 . 2]" 1
938 1 105 MET H 1 105 MET HG3 . . 5.020 4.412 4.138 4.654 . 0 0 "[ . 1 . 2]" 1
939 1 105 MET HA 1 105 MET HG3 . . 3.910 2.803 2.164 3.384 . 0 0 "[ . 1 . 2]" 1
940 1 105 MET HA 1 106 THR H . . 3.200 2.323 2.250 2.478 . 0 0 "[ . 1 . 2]" 1
941 1 105 MET HB3 1 105 MET ME . . 3.140 3.181 2.934 3.430 0.290 20 0 "[ . 1 . 2]" 1
942 1 105 MET HB3 1 106 THR H . . 4.290 3.849 3.334 4.206 . 0 0 "[ . 1 . 2]" 1
943 1 105 MET ME 1 105 MET HG3 . . 3.220 2.495 2.001 3.196 . 0 0 "[ . 1 . 2]" 1
944 1 105 MET HG3 1 106 THR H . . 3.600 3.370 2.656 3.701 0.101 18 0 "[ . 1 . 2]" 1
945 1 106 THR H 1 106 THR MG . . 3.250 2.135 1.911 2.461 . 0 0 "[ . 1 . 2]" 1
946 1 106 THR HA 1 106 THR HG1 . . 3.960 3.569 3.465 3.832 . 0 0 "[ . 1 . 2]" 1
947 1 106 THR HA 1 106 THR MG . . 3.120 2.394 2.314 2.453 . 0 0 "[ . 1 . 2]" 1
948 1 106 THR HA 1 107 LYS H . . 3.030 2.157 2.149 2.188 . 0 0 "[ . 1 . 2]" 1
949 1 106 THR HA 1 108 GLU H . . 3.850 3.629 3.266 3.771 . 0 0 "[ . 1 . 2]" 1
950 1 106 THR HB 1 107 LYS H . . 3.950 3.611 3.415 3.973 0.023 18 0 "[ . 1 . 2]" 1
951 1 106 THR HB 1 108 GLU H . . 3.690 2.780 2.649 3.137 . 0 0 "[ . 1 . 2]" 1
952 1 106 THR HG1 1 106 THR MG . . 3.460 2.988 2.871 3.017 . 0 0 "[ . 1 . 2]" 1
953 1 106 THR HG1 1 107 LYS H . . 4.770 4.502 4.281 4.750 . 0 0 "[ . 1 . 2]" 1
954 1 106 THR HG1 1 108 GLU H . . 4.240 3.447 3.032 4.258 0.018 18 0 "[ . 1 . 2]" 1
955 1 106 THR MG 1 107 LYS H . . 4.200 4.136 4.066 4.232 0.032 18 0 "[ . 1 . 2]" 1
956 1 106 THR MG 1 108 GLU H . . 4.440 4.350 4.269 4.440 0.000 18 0 "[ . 1 . 2]" 1
957 1 107 LYS H 1 107 LYS HB3 . . 3.380 3.320 3.233 3.428 0.048 8 0 "[ . 1 . 2]" 1
958 1 107 LYS H 1 107 LYS HG3 . . 3.730 3.770 3.694 3.977 0.247 8 0 "[ . 1 . 2]" 1
959 1 107 LYS H 1 108 GLU H . . 3.340 2.866 2.590 2.926 . 0 0 "[ . 1 . 2]" 1
960 1 107 LYS HA 1 107 LYS HG3 . . 3.600 3.307 2.390 3.440 . 0 0 "[ . 1 . 2]" 1
961 1 107 LYS HB3 1 108 GLU H . . 3.760 3.369 3.240 3.714 . 0 0 "[ . 1 . 2]" 1
962 1 108 GLU H 1 108 GLU HB3 . . 3.800 3.577 3.055 3.802 0.002 20 0 "[ . 1 . 2]" 1
963 1 108 GLU H 1 108 GLU HG3 . . 3.550 3.314 2.884 3.978 0.428 8 0 "[ . 1 . 2]" 1
964 1 108 GLU HA 1 108 GLU HG3 . . 3.660 3.089 2.420 3.759 0.099 9 0 "[ . 1 . 2]" 1
965 1 108 GLU HB3 1 109 SER H . . 3.340 2.759 1.932 3.754 0.414 14 0 "[ . 1 . 2]" 1
966 1 109 SER H 1 110 ALA H . . 4.930 4.550 4.507 4.635 . 0 0 "[ . 1 . 2]" 1
967 1 109 SER HA 1 110 ALA H . . 3.370 2.593 2.497 2.910 . 0 0 "[ . 1 . 2]" 1
968 1 109 SER HB3 1 110 ALA H . . 3.720 3.640 3.240 3.871 0.151 6 0 "[ . 1 . 2]" 1
969 1 110 ALA H 1 110 ALA MB . . 3.230 2.320 2.131 2.590 . 0 0 "[ . 1 . 2]" 1
970 1 110 ALA H 1 111 VAL H . . 4.880 4.343 4.250 4.414 . 0 0 "[ . 1 . 2]" 1
971 1 110 ALA H 1 111 VAL QG . . 4.830 4.373 3.921 4.717 . 0 0 "[ . 1 . 2]" 1
972 1 110 ALA MB 1 111 VAL H . . 3.360 3.323 3.142 3.380 0.020 15 0 "[ . 1 . 2]" 1
973 1 110 ALA MB 1 112 ILE MD . . 3.080 2.898 2.650 3.087 0.007 17 0 "[ . 1 . 2]" 1
974 1 111 VAL H 1 111 VAL HB . . 3.060 2.538 2.186 3.278 0.218 4 0 "[ . 1 . 2]" 1
975 1 111 VAL H 1 111 VAL QG . . 3.480 2.410 1.807 2.817 . 0 0 "[ . 1 . 2]" 1
976 1 111 VAL H 1 112 ILE H . . 4.580 4.393 4.222 4.513 . 0 0 "[ . 1 . 2]" 1
977 1 111 VAL HA 1 111 VAL QG . . 2.920 2.078 1.985 2.168 . 0 0 "[ . 1 . 2]" 1
978 1 111 VAL HA 1 112 ILE H . . 3.080 2.192 2.182 2.223 . 0 0 "[ . 1 . 2]" 1
979 1 111 VAL HA 1 112 ILE MD . . 4.380 3.924 3.703 4.112 . 0 0 "[ . 1 . 2]" 1
980 1 112 ILE H 1 112 ILE HB . . 3.740 2.504 2.453 2.592 . 0 0 "[ . 1 . 2]" 1
981 1 112 ILE H 1 112 ILE MD . . 3.730 2.900 2.400 3.284 . 0 0 "[ . 1 . 2]" 1
982 1 112 ILE H 1 112 ILE HG13 . . 3.850 3.545 3.452 3.812 . 0 0 "[ . 1 . 2]" 1
983 1 112 ILE H 1 112 ILE MG . . 3.750 3.726 3.703 3.757 0.007 7 0 "[ . 1 . 2]" 1
984 1 112 ILE H 1 113 ALA H . . 4.960 4.613 4.521 4.663 . 0 0 "[ . 1 . 2]" 1
985 1 112 ILE HA 1 112 ILE MD . . 2.950 1.953 1.908 2.006 . 0 0 "[ . 1 . 2]" 1
986 1 112 ILE HA 1 112 ILE MG . . 3.170 2.369 2.251 2.433 . 0 0 "[ . 1 . 2]" 1
987 1 112 ILE HA 1 113 ALA H . . 2.910 2.259 2.177 2.348 . 0 0 "[ . 1 . 2]" 1
988 1 112 ILE HA 1 113 ALA MB . . 3.850 3.804 3.719 3.962 0.112 16 0 "[ . 1 . 2]" 1
989 1 112 ILE HB 1 112 ILE MD . . 3.630 3.197 3.188 3.202 . 0 0 "[ . 1 . 2]" 1
990 1 112 ILE MD 1 112 ILE MG . . 2.610 2.079 1.931 2.253 . 0 0 "[ . 1 . 2]" 1
991 1 112 ILE MD 1 113 ALA H . . 3.530 3.541 3.482 3.589 0.059 10 0 "[ . 1 . 2]" 1
992 1 112 ILE HG13 1 112 ILE MG . . 3.340 2.351 2.227 2.464 . 0 0 "[ . 1 . 2]" 1
993 1 112 ILE MG 1 113 ALA H . . 3.530 2.266 1.913 2.863 . 0 0 "[ . 1 . 2]" 1
994 1 113 ALA H 1 113 ALA MB . . 2.870 2.754 2.460 2.905 0.035 18 0 "[ . 1 . 2]" 1
995 1 113 ALA HA 1 114 ARG H . . 3.150 2.551 2.260 3.282 0.132 13 0 "[ . 1 . 2]" 1
996 1 113 ALA MB 1 114 ARG H . . 3.270 2.915 2.295 3.474 0.204 17 0 "[ . 1 . 2]" 1
997 1 113 ALA MB 1 115 ASP H . . 4.360 3.233 2.585 4.278 . 0 0 "[ . 1 . 2]" 1
998 1 114 ARG H 1 114 ARG HB3 . . 3.690 3.261 2.752 3.701 0.011 13 0 "[ . 1 . 2]" 1
999 1 114 ARG HA 1 115 ASP H . . 3.190 2.649 2.240 3.106 . 0 0 "[ . 1 . 2]" 1
1000 1 114 ARG HB3 1 115 ASP H . . 4.390 4.333 3.973 4.682 0.292 17 0 "[ . 1 . 2]" 1
1001 1 115 ASP HA 1 116 GLY H . . 3.650 2.530 2.253 3.655 0.005 7 0 "[ . 1 . 2]" 1
1002 1 116 GLY HA2 1 117 LYS H . . 3.360 2.504 2.199 3.618 0.258 6 0 "[ . 1 . 2]" 1
1003 1 117 LYS H 1 117 LYS HG3 . . 4.100 4.039 2.077 4.913 0.813 5 4 "[ - + 1 . **2]" 1
1004 1 117 LYS HA 1 117 LYS HG3 . . 3.720 3.418 2.862 3.664 . 0 0 "[ . 1 . 2]" 1
1005 1 117 LYS HA 1 118 ILE H . . 2.890 2.492 2.178 2.935 0.045 14 0 "[ . 1 . 2]" 1
1006 1 118 ILE H 1 118 ILE HB . . 3.280 2.795 2.245 3.317 0.037 19 0 "[ . 1 . 2]" 1
1007 1 118 ILE H 1 118 ILE HG13 . . 4.010 3.180 1.935 4.177 0.167 19 0 "[ . 1 . 2]" 1
1008 1 118 ILE H 1 118 ILE MG . . 4.160 3.732 2.573 4.061 . 0 0 "[ . 1 . 2]" 1
1009 1 118 ILE H 1 119 TYR H . . 4.060 4.001 3.568 4.411 0.351 17 0 "[ . 1 . 2]" 1
1010 1 118 ILE HA 1 118 ILE MD . . 4.240 3.574 1.967 3.949 . 0 0 "[ . 1 . 2]" 1
1011 1 118 ILE HA 1 118 ILE MG . . 3.230 2.625 2.150 3.171 . 0 0 "[ . 1 . 2]" 1
1012 1 118 ILE HA 1 119 TYR H . . 3.130 2.558 2.175 3.275 0.145 8 0 "[ . 1 . 2]" 1
1013 1 118 ILE HB 1 119 TYR H . . 5.500 3.709 1.937 4.661 . 0 0 "[ . 1 . 2]" 1
1014 1 118 ILE MG 1 119 TYR H . . 4.080 2.771 1.816 3.689 . 0 0 "[ . 1 . 2]" 1
1015 1 118 ILE MG 1 120 LYS H . . 4.510 3.587 1.854 4.734 0.224 12 0 "[ . 1 . 2]" 1
1016 1 119 TYR H 1 119 TYR HB3 . . 3.830 3.306 2.339 3.860 0.030 8 0 "[ . 1 . 2]" 1
1017 1 119 TYR H 1 119 TYR QD . . 3.830 3.298 2.306 3.942 0.112 12 0 "[ . 1 . 2]" 1
1018 1 119 TYR H 1 120 LYS H . . 4.350 3.430 1.978 4.459 0.109 10 0 "[ . 1 . 2]" 1
1019 1 119 TYR HA 1 119 TYR QD . . 3.310 2.824 2.080 3.354 0.044 12 0 "[ . 1 . 2]" 1
1020 1 119 TYR HA 1 120 LYS H . . 3.140 2.796 2.187 3.323 0.183 19 0 "[ . 1 . 2]" 1
1021 1 119 TYR HB3 1 120 LYS H . . 4.000 3.706 1.919 4.602 0.602 12 2 "[ . 1 + . -2]" 1
1022 1 120 LYS H 1 120 LYS HB3 . . 4.190 3.319 2.249 4.050 . 0 0 "[ . 1 . 2]" 1
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