NMR Restraints Grid
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NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
646800 |
6kjn   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_6kjn
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 1500
_Distance_constraint_stats_list.Viol_count 1525
_Distance_constraint_stats_list.Viol_total 2459.325
_Distance_constraint_stats_list.Viol_max 1.222
_Distance_constraint_stats_list.Viol_rms 0.0674
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0164
_Distance_constraint_stats_list.Viol_average_violations_only 0.1613
_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 5 LYS 0.372 0.187 6 0 "[ . 1]"
1 6 SER 0.000 0.000 . 0 "[ . 1]"
1 7 ILE 6.138 1.222 1 2 "[+- . 1]"
1 8 GLN 8.061 1.222 1 4 "[+- *. *]"
1 9 ASP 0.000 0.000 . 0 "[ . 1]"
1 10 CYS 3.520 0.611 10 2 "[ -. +]"
1 11 GLU 0.000 0.000 . 0 "[ . 1]"
1 12 PRO 0.267 0.137 3 0 "[ . 1]"
1 13 THR 1.805 0.462 2 0 "[ . 1]"
1 14 ILE 5.675 0.585 4 2 "[ +.- 1]"
1 15 LEU 3.024 0.493 5 0 "[ . 1]"
1 16 GLU 0.114 0.114 5 0 "[ . 1]"
1 17 ALA 2.984 0.396 1 0 "[ . 1]"
1 18 GLN 9.215 0.604 5 3 "[ - + * 1]"
1 19 ARG 2.004 0.417 6 0 "[ . 1]"
1 20 GLY 2.486 0.354 6 0 "[ . 1]"
1 21 VAL 8.835 0.654 7 1 "[ . + 1]"
1 22 LYS 5.959 0.420 7 0 "[ . 1]"
1 23 ASN 0.000 0.000 . 0 "[ . 1]"
1 24 ILE 12.232 0.654 7 2 "[- . + 1]"
1 25 LYS 0.000 0.000 . 0 "[ . 1]"
1 27 GLN 0.149 0.149 3 0 "[ . 1]"
1 28 GLN 3.515 0.442 5 0 "[ . 1]"
1 29 LEU 1.100 0.233 3 0 "[ . 1]"
1 30 THR 0.054 0.037 3 0 "[ . 1]"
1 31 GLU 2.478 0.288 10 0 "[ . 1]"
1 32 ILE 4.524 0.594 9 1 "[ . +1]"
1 33 ARG 0.779 0.220 8 0 "[ . 1]"
1 34 SER 0.406 0.173 4 0 "[ . 1]"
1 35 MET 3.949 0.594 9 1 "[ . +1]"
1 36 VAL 0.533 0.225 8 0 "[ . 1]"
1 37 ASN 1.724 0.225 8 0 "[ . 1]"
1 38 PRO 1.994 0.209 10 0 "[ . 1]"
1 39 PRO 2.317 0.539 8 2 "[ . + -]"
1 40 SER 0.000 0.000 . 0 "[ . 1]"
1 41 GLY 3.862 0.539 8 2 "[ . + -]"
1 42 VAL 6.209 0.497 5 0 "[ . 1]"
1 43 LYS 6.730 0.825 1 8 "[+**-.*** *]"
1 44 ILE 5.010 0.443 3 0 "[ . 1]"
1 45 VAL 4.813 0.586 2 3 "[ + * - 1]"
1 46 MET 4.229 0.551 5 2 "[ + - 1]"
1 47 GLU 0.911 0.284 8 0 "[ . 1]"
1 48 ALA 1.498 0.363 9 0 "[ . 1]"
1 49 VAL 7.803 0.530 2 1 "[ + . 1]"
1 50 CYS 1.796 0.316 8 0 "[ . 1]"
1 51 ALA 6.783 0.605 7 3 "[* . + -1]"
1 52 ILE 12.190 0.577 1 2 "[+ . -1]"
1 53 LEU 7.946 0.449 1 0 "[ . 1]"
1 54 GLY 0.000 0.000 . 0 "[ . 1]"
1 55 TYR 0.005 0.005 9 0 "[ . 1]"
1 56 GLN 0.256 0.256 9 0 "[ . 1]"
1 57 PHE 0.000 0.000 . 0 "[ . 1]"
1 58 SER 3.016 0.436 4 0 "[ . 1]"
1 59 ASN 1.436 0.406 8 0 "[ . 1]"
1 60 TRP 6.413 0.825 1 8 "[+**-.*** *]"
1 61 ARG 4.875 0.285 2 0 "[ . 1]"
1 62 ASP 5.372 0.436 4 0 "[ . 1]"
1 63 ILE 3.322 0.284 8 0 "[ . 1]"
1 64 GLN 3.485 0.558 9 1 "[ . +1]"
1 65 GLN 0.271 0.206 9 0 "[ . 1]"
1 66 PHE 1.152 0.558 9 1 "[ . +1]"
1 67 ILE 7.103 0.751 8 2 "[ . +-1]"
1 68 ARG 1.771 0.551 9 1 "[ . +1]"
1 69 LYS 3.522 0.751 8 2 "[ . +-1]"
1 70 ASP 0.000 0.000 . 0 "[ . 1]"
1 71 ASP 0.199 0.104 5 0 "[ . 1]"
1 72 PHE 6.423 0.410 9 0 "[ . 1]"
1 73 ILE 3.491 0.278 7 0 "[ . 1]"
1 74 HIS 0.471 0.104 5 0 "[ . 1]"
1 75 ASN 3.111 0.299 9 0 "[ . 1]"
1 76 ILE 17.207 0.593 3 5 "[**+-.* 1]"
1 77 VAL 3.471 0.228 1 0 "[ . 1]"
1 78 HIS 0.916 0.126 5 0 "[ . 1]"
1 79 TYR 5.771 0.464 3 0 "[ . 1]"
1 80 ASP 0.623 0.370 3 0 "[ . 1]"
1 81 THR 0.707 0.332 5 0 "[ . 1]"
1 82 THR 1.083 0.337 8 0 "[ . 1]"
1 83 LEU 0.908 0.370 3 0 "[ . 1]"
1 87 PRO 1.882 0.711 10 1 "[ . +]"
1 88 GLN 2.573 0.479 1 0 "[ . 1]"
1 89 ILE 4.677 0.605 7 1 "[ . + 1]"
1 90 ARG 3.782 0.711 10 1 "[ . +]"
1 91 LYS 1.924 0.479 1 0 "[ . 1]"
1 92 TYR 3.606 0.373 7 0 "[ . 1]"
1 93 MET 5.295 0.725 7 1 "[ . + 1]"
1 94 GLU 8.538 0.680 7 2 "[ . + -]"
1 95 GLU 2.161 0.725 7 1 "[ . + 1]"
1 96 GLU 5.823 0.431 7 0 "[ . 1]"
1 97 PHE 7.557 0.764 2 2 "[ +- . 1]"
1 98 LEU 12.144 0.764 2 5 "[ +* . * *-]"
1 99 SER 4.606 0.563 9 1 "[ . +1]"
1 100 ASP 2.690 1.030 3 2 "[ -+ . 1]"
1 101 PRO 4.576 0.346 5 0 "[ . 1]"
1 102 ASN 7.802 1.030 3 2 "[ -+ . 1]"
1 103 PHE 5.628 0.373 10 0 "[ . 1]"
1 104 THR 11.216 0.632 8 1 "[ . + 1]"
1 105 TYR 5.015 0.375 8 0 "[ . 1]"
1 106 GLU 4.866 0.632 8 2 "[ - . + 1]"
1 107 THR 2.141 0.434 5 0 "[ . 1]"
1 108 ILE 7.005 0.497 5 0 "[ . 1]"
1 109 ASN 0.966 0.191 4 0 "[ . 1]"
1 110 ARG 1.040 0.225 1 0 "[ . 1]"
1 111 ALA 1.665 0.252 1 0 "[ . 1]"
1 112 SER 1.428 0.225 1 0 "[ . 1]"
1 113 LYS 0.166 0.127 5 0 "[ . 1]"
1 114 ALA 5.518 0.617 1 1 "[+ . 1]"
1 115 CYS 3.707 0.405 9 0 "[ . 1]"
1 116 GLY 5.878 0.576 1 1 "[+ . 1]"
1 117 PRO 3.684 0.394 2 0 "[ . 1]"
1 118 LEU 11.412 0.617 1 1 "[+ . 1]"
1 119 TYR 9.882 0.586 2 1 "[ + . 1]"
1 120 GLN 4.072 0.394 2 0 "[ . 1]"
1 121 TRP 24.036 0.604 5 7 "[***-+** 1]"
1 122 VAL 5.310 0.409 6 0 "[ . 1]"
1 123 ASN 7.803 0.652 5 4 "[* + * -]"
1 124 ALA 0.829 0.397 7 0 "[ . 1]"
1 125 GLN 4.393 0.801 4 2 "[ +.- 1]"
1 126 ILE 12.766 0.652 5 4 "[* + * -]"
1 127 ASN 1.373 0.297 5 0 "[ . 1]"
1 128 PHE 1.715 0.801 4 1 "[ +. 1]"
1 129 SER 0.540 0.297 5 0 "[ . 1]"
1 130 LYS 1.447 0.243 8 0 "[ . 1]"
1 131 CYS 0.000 0.000 . 0 "[ . 1]"
1 132 LEU 0.720 0.218 9 0 "[ . 1]"
1 133 GLU 2.091 0.295 5 0 "[ . 1]"
1 134 ASN 3.091 0.601 9 1 "[ . +1]"
1 135 VAL 0.768 0.382 4 0 "[ . 1]"
1 136 ASP 1.617 0.601 9 1 "[ . +1]"
1 137 PRO 0.745 0.382 4 0 "[ . 1]"
1 138 LEU 0.235 0.097 8 0 "[ . 1]"
1 139 ARG 0.272 0.097 8 0 "[ . 1]"
1 140 GLN 0.063 0.036 4 0 "[ . 1]"
1 141 GLU 0.026 0.022 1 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 5 LYS HA 1 5 LYS QE 5.200 . 5.200 4.432 3.840 5.387 0.187 6 0 "[ . 1]" 1
2 1 5 LYS QB 1 6 SER H 4.350 . 4.350 3.009 1.910 3.979 . 0 0 "[ . 1]" 1
3 1 5 LYS QE 1 5 LYS QG 3.280 . 3.280 2.160 2.091 2.328 . 0 0 "[ . 1]" 1
4 1 6 SER QB 1 7 ILE H 4.270 . 4.270 3.008 1.932 3.879 . 0 0 "[ . 1]" 1
5 1 7 ILE H 1 7 ILE HB 4.120 . 4.120 2.751 2.432 3.016 . 0 0 "[ . 1]" 1
6 1 7 ILE H 1 7 ILE MD 4.340 . 4.340 4.140 3.757 4.331 . 0 0 "[ . 1]" 1
7 1 7 ILE H 1 7 ILE HG12 4.890 . 4.890 4.528 4.372 4.777 . 0 0 "[ . 1]" 1
8 1 7 ILE H 1 7 ILE QG 4.190 . 4.190 3.989 3.917 4.061 . 0 0 "[ . 1]" 1
9 1 7 ILE H 1 7 ILE HG13 4.890 . 4.890 4.468 4.200 4.780 . 0 0 "[ . 1]" 1
10 1 7 ILE H 1 8 GLN H 4.540 . 4.540 2.433 2.053 2.903 . 0 0 "[ . 1]" 1
11 1 7 ILE HA 1 7 ILE QG 3.720 . 3.720 2.686 2.355 3.127 . 0 0 "[ . 1]" 1
12 1 7 ILE HA 1 7 ILE MG 3.440 . 3.440 3.195 3.184 3.209 . 0 0 "[ . 1]" 1
13 1 7 ILE HB 1 7 ILE MD 3.510 . 3.510 2.636 2.356 3.123 . 0 0 "[ . 1]" 1
14 1 7 ILE HB 1 8 GLN H 4.190 . 4.190 3.988 3.897 4.144 . 0 0 "[ . 1]" 1
15 1 7 ILE MD 1 8 GLN H 4.020 . 4.020 3.879 2.653 4.267 0.247 6 0 "[ . 1]" 1
16 1 7 ILE MD 1 8 GLN HA 3.930 . 3.930 4.058 2.475 5.152 1.222 1 2 "[+- . 1]" 1
17 1 7 ILE MD 1 8 GLN QB 4.620 . 4.620 4.286 3.453 5.070 0.450 8 0 "[ . 1]" 1
18 1 7 ILE QG 1 7 ILE MG 2.960 . 2.960 2.368 2.093 2.594 . 0 0 "[ . 1]" 1
19 1 7 ILE QG 1 8 GLN H 5.220 . 5.220 3.714 3.217 4.038 . 0 0 "[ . 1]" 1
20 1 7 ILE QG 1 8 GLN HA 4.820 . 4.820 4.051 3.164 5.313 0.493 10 0 "[ . 1]" 1
21 1 7 ILE HG12 1 7 ILE MG 3.570 . 3.570 2.652 2.354 3.128 . 0 0 "[ . 1]" 1
22 1 7 ILE HG13 1 7 ILE MG 3.570 . 3.570 2.741 2.242 3.160 . 0 0 "[ . 1]" 1
23 1 7 ILE MG 1 8 GLN HB2 4.470 . 4.470 3.504 2.348 4.450 . 0 0 "[ . 1]" 1
24 1 7 ILE MG 1 8 GLN QB 3.650 . 3.650 3.197 2.330 4.026 0.376 10 0 "[ . 1]" 1
25 1 7 ILE MG 1 8 GLN HB3 4.470 . 4.470 4.107 2.860 4.597 0.127 10 0 "[ . 1]" 1
26 1 8 GLN H 1 9 ASP H 4.650 . 4.650 3.676 2.363 4.474 . 0 0 "[ . 1]" 1
27 1 8 GLN HA 1 8 GLN QG 3.740 . 3.740 2.387 2.025 3.308 . 0 0 "[ . 1]" 1
28 1 8 GLN QB 1 10 CYS H 4.550 . 4.550 4.654 4.008 5.161 0.611 10 2 "[ -. +]" 1
29 1 9 ASP H 1 9 ASP QB 3.650 . 3.650 2.722 2.200 3.256 . 0 0 "[ . 1]" 1
30 1 9 ASP QB 1 10 CYS H 4.450 . 4.450 2.939 1.849 3.939 . 0 0 "[ . 1]" 1
31 1 10 CYS H 1 11 GLU H 4.550 . 4.550 2.713 1.692 4.204 . 0 0 "[ . 1]" 1
32 1 10 CYS H 1 12 PRO QD 5.280 . 5.280 3.568 3.162 4.677 . 0 0 "[ . 1]" 1
33 1 10 CYS HA 1 13 THR MG 4.350 . 4.350 3.177 1.930 4.812 0.462 2 0 "[ . 1]" 1
34 1 10 CYS QB 1 13 THR MG 3.590 . 3.590 3.297 2.033 3.979 0.389 2 0 "[ . 1]" 1
35 1 10 CYS QB 1 128 PHE QD 4.360 . 4.360 2.557 1.852 4.260 . 0 0 "[ . 1]" 1
36 1 10 CYS HB2 1 13 THR HB 5.500 . 5.500 5.138 4.429 5.674 0.174 6 0 "[ . 1]" 1
37 1 10 CYS HB3 1 13 THR HB 5.500 . 5.500 4.464 3.031 5.461 . 0 0 "[ . 1]" 1
38 1 11 GLU H 1 12 PRO QD 4.190 . 4.190 2.186 1.827 2.965 . 0 0 "[ . 1]" 1
39 1 12 PRO HA 1 15 LEU QB 4.320 . 4.320 3.175 2.389 3.962 . 0 0 "[ . 1]" 1
40 1 12 PRO HA 1 15 LEU QD 3.840 . 3.840 3.776 3.501 3.977 0.137 3 0 "[ . 1]" 1
41 1 13 THR H 1 14 ILE H 4.360 . 4.360 2.237 2.092 2.402 . 0 0 "[ . 1]" 1
42 1 13 THR MG 1 128 PHE HA 5.260 . 5.260 4.297 3.334 5.200 . 0 0 "[ . 1]" 1
43 1 13 THR MG 1 128 PHE QB 4.550 . 4.550 3.239 2.161 4.758 0.208 5 0 "[ . 1]" 1
44 1 14 ILE HA 1 14 ILE MD 3.920 . 3.920 2.613 1.988 3.844 . 0 0 "[ . 1]" 1
45 1 14 ILE HA 1 14 ILE MG 3.580 . 3.580 2.305 2.172 2.574 . 0 0 "[ . 1]" 1
46 1 14 ILE HA 1 124 ALA MB 4.530 . 4.530 2.896 2.220 3.408 . 0 0 "[ . 1]" 1
47 1 14 ILE MD 1 124 ALA MB 4.100 . 4.100 3.046 1.948 4.497 0.397 7 0 "[ . 1]" 1
48 1 14 ILE MD 1 125 GLN HA 4.010 . 4.010 3.287 2.349 4.066 0.056 7 0 "[ . 1]" 1
49 1 14 ILE MD 1 128 PHE QD 4.010 . 4.010 2.985 1.795 3.764 . 0 0 "[ . 1]" 1
50 1 14 ILE QG 1 14 ILE MG 3.310 . 3.310 2.253 2.060 2.430 . 0 0 "[ . 1]" 1
51 1 14 ILE QG 1 124 ALA MB 4.870 . 4.870 3.861 2.138 4.961 0.091 8 0 "[ . 1]" 1
52 1 14 ILE QG 1 128 PHE QD 4.350 . 4.350 3.442 2.632 4.275 . 0 0 "[ . 1]" 1
53 1 14 ILE HG12 1 128 PHE QD 5.030 . 5.030 3.819 2.877 4.563 . 0 0 "[ . 1]" 1
54 1 14 ILE HG13 1 128 PHE QD 5.030 . 5.030 4.138 3.050 5.158 0.128 4 0 "[ . 1]" 1
55 1 14 ILE MG 1 15 LEU HA 4.600 . 4.600 3.786 3.274 4.311 . 0 0 "[ . 1]" 1
56 1 14 ILE MG 1 15 LEU QD 3.930 . 3.930 3.359 2.895 3.995 0.065 5 0 "[ . 1]" 1
57 1 14 ILE MG 1 18 GLN HG2 4.450 . 4.450 3.516 2.574 4.228 . 0 0 "[ . 1]" 1
58 1 14 ILE MG 1 121 TRP HD1 4.280 . 4.280 4.302 3.949 4.631 0.351 4 0 "[ . 1]" 1
59 1 14 ILE MG 1 124 ALA MB 3.650 . 3.650 3.239 2.637 3.679 0.029 9 0 "[ . 1]" 1
60 1 14 ILE MG 1 125 GLN H 4.260 . 4.260 4.583 4.281 4.845 0.585 4 2 "[ +.- 1]" 1
61 1 14 ILE MG 1 125 GLN HA 4.160 . 4.160 3.686 3.359 4.314 0.154 6 0 "[ . 1]" 1
62 1 14 ILE MG 1 128 PHE QB 4.770 . 4.770 4.045 3.226 4.563 . 0 0 "[ . 1]" 1
63 1 14 ILE MG 1 128 PHE QD 4.810 . 4.810 4.296 3.467 4.936 0.126 10 0 "[ . 1]" 1
64 1 15 LEU H 1 15 LEU QD 4.310 . 4.310 2.720 1.890 3.828 . 0 0 "[ . 1]" 1
65 1 15 LEU H 1 16 GLU H 4.210 . 4.210 2.375 1.959 2.798 . 0 0 "[ . 1]" 1
66 1 15 LEU HA 1 15 LEU QD 3.150 . 3.150 2.156 1.777 2.839 . 0 0 "[ . 1]" 1
67 1 15 LEU HA 1 15 LEU HG 4.070 . 4.070 2.947 1.981 3.566 . 0 0 "[ . 1]" 1
68 1 15 LEU QB 1 18 GLN HB2 5.320 . 5.320 4.090 3.457 4.780 . 0 0 "[ . 1]" 1
69 1 15 LEU QB 1 18 GLN HG2 5.290 . 5.290 4.924 4.325 5.441 0.151 3 0 "[ . 1]" 1
70 1 15 LEU QB 1 18 GLN HG3 4.730 . 4.730 4.357 3.793 4.861 0.131 9 0 "[ . 1]" 1
71 1 15 LEU HB2 1 16 GLU H 3.760 . 3.760 3.235 2.793 3.665 . 0 0 "[ . 1]" 1
72 1 15 LEU HB2 1 18 GLN HG3 5.500 . 5.500 5.053 4.517 5.615 0.115 7 0 "[ . 1]" 1
73 1 15 LEU HB3 1 16 GLU H 3.760 . 3.760 3.339 2.855 3.686 . 0 0 "[ . 1]" 1
74 1 15 LEU HB3 1 18 GLN HG3 5.500 . 5.500 4.770 4.076 5.404 . 0 0 "[ . 1]" 1
75 1 15 LEU QD 1 16 GLU H 4.690 . 4.690 3.994 3.819 4.396 . 0 0 "[ . 1]" 1
76 1 15 LEU QD 1 18 GLN HB3 4.630 . 4.630 3.719 2.769 4.868 0.238 5 0 "[ . 1]" 1
77 1 15 LEU QD 1 18 GLN HG2 4.190 . 4.190 3.698 2.806 4.383 0.193 4 0 "[ . 1]" 1
78 1 15 LEU QD 1 18 GLN HG3 3.170 . 3.170 2.724 2.015 3.313 0.143 2 0 "[ . 1]" 1
79 1 15 LEU MD1 1 18 GLN HG3 3.660 . 3.660 2.974 2.092 3.875 0.215 6 0 "[ . 1]" 1
80 1 15 LEU MD2 1 18 GLN HG3 3.660 . 3.660 3.232 2.448 4.153 0.493 5 0 "[ . 1]" 1
81 1 16 GLU H 1 16 GLU HB3 3.270 . 3.270 2.592 2.523 2.684 . 0 0 "[ . 1]" 1
82 1 16 GLU H 1 16 GLU QG 4.180 . 4.180 3.959 3.912 4.037 . 0 0 "[ . 1]" 1
83 1 16 GLU H 1 17 ALA H 3.820 . 3.820 2.716 2.642 2.792 . 0 0 "[ . 1]" 1
84 1 16 GLU H 1 18 GLN H 4.590 . 4.590 4.034 3.856 4.224 . 0 0 "[ . 1]" 1
85 1 16 GLU HA 1 16 GLU QG 3.540 . 3.540 2.376 2.256 2.717 . 0 0 "[ . 1]" 1
86 1 16 GLU HB3 1 16 GLU QG 2.790 . 2.790 2.352 2.186 2.472 . 0 0 "[ . 1]" 1
87 1 16 GLU HB3 1 17 ALA H 3.680 . 3.680 2.461 2.228 2.649 . 0 0 "[ . 1]" 1
88 1 16 GLU HB3 1 17 ALA HA 4.530 . 4.530 4.209 4.040 4.278 . 0 0 "[ . 1]" 1
89 1 16 GLU QG 1 17 ALA H 4.250 . 4.250 3.625 3.412 4.198 . 0 0 "[ . 1]" 1
90 1 16 GLU QG 1 17 ALA HA 4.500 . 4.500 3.754 3.500 4.614 0.114 5 0 "[ . 1]" 1
91 1 17 ALA H 1 17 ALA MB 3.520 . 3.520 2.134 2.083 2.213 . 0 0 "[ . 1]" 1
92 1 17 ALA H 1 18 GLN H 3.970 . 3.970 2.639 2.499 2.783 . 0 0 "[ . 1]" 1
93 1 17 ALA HA 1 19 ARG H 4.880 . 4.880 4.616 4.173 4.849 . 0 0 "[ . 1]" 1
94 1 17 ALA HA 1 121 TRP HA 4.220 . 4.220 4.180 3.946 4.339 0.119 10 0 "[ . 1]" 1
95 1 17 ALA MB 1 18 GLN H 3.560 . 3.560 2.666 2.532 2.742 . 0 0 "[ . 1]" 1
96 1 17 ALA MB 1 18 GLN HB2 5.080 . 5.080 4.767 4.615 4.909 . 0 0 "[ . 1]" 1
97 1 17 ALA MB 1 121 TRP HA 3.180 . 3.180 1.925 1.851 2.021 . 0 0 "[ . 1]" 1
98 1 17 ALA MB 1 121 TRP HB2 4.110 . 4.110 2.547 2.046 3.431 . 0 0 "[ . 1]" 1
99 1 17 ALA MB 1 121 TRP HB3 4.020 . 4.020 3.814 3.525 4.236 0.216 1 0 "[ . 1]" 1
100 1 17 ALA MB 1 121 TRP HD1 3.640 . 3.640 2.704 2.316 3.441 . 0 0 "[ . 1]" 1
101 1 17 ALA MB 1 121 TRP HE1 5.000 . 5.000 4.900 4.522 5.396 0.396 1 0 "[ . 1]" 1
102 1 17 ALA MB 1 121 TRP HE3 5.500 . 5.500 5.629 5.433 5.855 0.355 1 0 "[ . 1]" 1
103 1 18 GLN H 1 18 GLN HG3 3.800 . 3.800 3.308 2.701 3.720 . 0 0 "[ . 1]" 1
104 1 18 GLN H 1 19 ARG H 3.960 . 3.960 3.023 2.816 3.090 . 0 0 "[ . 1]" 1
105 1 18 GLN H 1 19 ARG QG 4.800 . 4.800 4.645 3.981 4.935 0.135 10 0 "[ . 1]" 1
106 1 18 GLN H 1 21 VAL QG 4.840 . 4.840 4.101 3.652 4.829 . 0 0 "[ . 1]" 1
107 1 18 GLN H 1 121 TRP HD1 4.720 . 4.720 4.088 3.928 4.379 . 0 0 "[ . 1]" 1
108 1 18 GLN HA 1 18 GLN HG2 4.110 . 4.110 2.693 2.272 3.119 . 0 0 "[ . 1]" 1
109 1 18 GLN HA 1 18 GLN HG3 4.030 . 4.030 3.659 3.552 3.733 . 0 0 "[ . 1]" 1
110 1 18 GLN HA 1 21 VAL HB 5.360 . 5.360 3.350 2.697 5.045 . 0 0 "[ . 1]" 1
111 1 18 GLN HA 1 21 VAL QG 3.520 . 3.520 2.421 1.970 2.751 . 0 0 "[ . 1]" 1
112 1 18 GLN HA 1 77 VAL MG1 4.700 . 4.700 3.865 3.422 4.664 . 0 0 "[ . 1]" 1
113 1 18 GLN HA 1 121 TRP HD1 4.160 . 4.160 3.417 2.450 3.893 . 0 0 "[ . 1]" 1
114 1 18 GLN HA 1 121 TRP HE1 5.250 . 5.250 5.056 4.602 5.334 0.084 7 0 "[ . 1]" 1
115 1 18 GLN HB2 1 22 LYS HG3 5.500 . 5.500 5.303 4.911 5.589 0.089 7 0 "[ . 1]" 1
116 1 18 GLN HB3 1 21 VAL QG 4.100 . 4.100 4.175 3.595 4.444 0.344 3 0 "[ . 1]" 1
117 1 18 GLN HB3 1 22 LYS QD 4.980 . 4.980 4.296 2.109 5.000 0.020 9 0 "[ . 1]" 1
118 1 18 GLN HB3 1 77 VAL MG2 4.040 . 4.040 3.786 3.288 4.016 . 0 0 "[ . 1]" 1
119 1 18 GLN HG2 1 19 ARG H 4.840 . 4.840 4.351 4.084 4.582 . 0 0 "[ . 1]" 1
120 1 18 GLN HG2 1 21 VAL QG 5.030 . 5.030 4.226 3.782 4.791 . 0 0 "[ . 1]" 1
121 1 18 GLN HG2 1 22 LYS QE 5.500 . 5.500 5.435 5.123 5.625 0.125 1 0 "[ . 1]" 1
122 1 18 GLN HG2 1 77 VAL HA 5.500 . 5.500 5.028 4.079 5.547 0.047 7 0 "[ . 1]" 1
123 1 18 GLN HG2 1 77 VAL MG1 5.500 . 5.500 4.554 3.872 5.256 . 0 0 "[ . 1]" 1
124 1 18 GLN HG2 1 121 TRP HD1 4.580 . 4.580 3.573 3.013 4.176 . 0 0 "[ . 1]" 1
125 1 18 GLN HG3 1 19 ARG H 4.740 . 4.740 4.621 4.245 4.871 0.131 6 0 "[ . 1]" 1
126 1 18 GLN HG3 1 77 VAL HA 5.250 . 5.250 5.175 4.808 5.477 0.227 3 0 "[ . 1]" 1
127 1 18 GLN HG3 1 77 VAL MG1 4.260 . 4.260 4.106 3.671 4.417 0.157 7 0 "[ . 1]" 1
128 1 18 GLN HG3 1 121 TRP HD1 5.500 . 5.500 5.038 4.455 5.485 . 0 0 "[ . 1]" 1
129 1 18 GLN HG3 1 121 TRP HE1 5.500 . 5.500 5.785 5.232 6.104 0.604 5 3 "[ - + * 1]" 1
130 1 19 ARG H 1 21 VAL QG 4.760 . 4.760 4.681 4.115 4.873 0.113 2 0 "[ . 1]" 1
131 1 19 ARG HA 1 22 LYS HB2 3.160 . 3.160 3.070 2.298 3.577 0.417 6 0 "[ . 1]" 1
132 1 19 ARG HA 1 22 LYS QD 4.120 . 4.120 3.521 2.274 4.193 0.073 4 0 "[ . 1]" 1
133 1 19 ARG HA 1 22 LYS QE 4.610 . 4.610 3.004 2.092 4.483 . 0 0 "[ . 1]" 1
134 1 19 ARG HA 1 22 LYS HG3 4.020 . 4.020 3.426 2.963 3.786 . 0 0 "[ . 1]" 1
135 1 20 GLY H 1 21 VAL H 3.710 . 3.710 2.492 2.336 2.649 . 0 0 "[ . 1]" 1
136 1 20 GLY H 1 22 LYS H 3.920 . 3.920 3.968 3.681 4.274 0.354 6 0 "[ . 1]" 1
137 1 20 GLY H 1 22 LYS HG3 4.840 . 4.840 4.963 4.840 5.134 0.294 6 0 "[ . 1]" 1
138 1 20 GLY QA 1 22 LYS H 4.380 . 4.380 4.022 3.752 4.204 . 0 0 "[ . 1]" 1
139 1 20 GLY QA 1 23 ASN QB 3.900 . 3.900 2.325 1.974 2.692 . 0 0 "[ . 1]" 1
140 1 20 GLY QA 1 117 PRO HB2 4.540 . 4.540 3.844 3.277 4.533 . 0 0 "[ . 1]" 1
141 1 20 GLY HA2 1 117 PRO HB2 5.180 . 5.180 4.604 3.823 5.373 0.193 9 0 "[ . 1]" 1
142 1 20 GLY HA2 1 117 PRO HB3 4.880 . 4.880 3.437 2.356 4.037 . 0 0 "[ . 1]" 1
143 1 20 GLY HA3 1 117 PRO HB2 5.180 . 5.180 4.124 3.519 4.883 . 0 0 "[ . 1]" 1
144 1 20 GLY HA3 1 117 PRO HB3 4.880 . 4.880 3.034 2.130 3.487 . 0 0 "[ . 1]" 1
145 1 21 VAL H 1 22 LYS H 3.540 . 3.540 2.722 2.389 2.828 . 0 0 "[ . 1]" 1
146 1 21 VAL H 1 22 LYS HG3 4.300 . 4.300 4.064 3.599 4.282 . 0 0 "[ . 1]" 1
147 1 21 VAL H 1 23 ASN H 4.410 . 4.410 3.848 3.701 3.994 . 0 0 "[ . 1]" 1
148 1 21 VAL H 1 76 ILE MG 5.210 . 5.210 5.410 5.213 5.565 0.355 7 0 "[ . 1]" 1
149 1 21 VAL H 1 117 PRO HB3 5.500 . 5.500 4.336 3.936 4.682 . 0 0 "[ . 1]" 1
150 1 21 VAL H 1 121 TRP HB3 5.270 . 5.270 5.199 4.827 5.404 0.134 5 0 "[ . 1]" 1
151 1 21 VAL HA 1 21 VAL MG1 3.640 . 3.640 2.463 2.187 3.109 . 0 0 "[ . 1]" 1
152 1 21 VAL HA 1 21 VAL MG2 3.640 . 3.640 2.501 2.185 3.195 . 0 0 "[ . 1]" 1
153 1 21 VAL HA 1 24 ILE H 4.250 . 4.250 4.419 4.276 4.904 0.654 7 1 "[ . + 1]" 1
154 1 21 VAL HA 1 24 ILE MD 3.480 . 3.480 3.296 2.748 3.922 0.442 7 0 "[ . 1]" 1
155 1 21 VAL HA 1 117 PRO HB2 4.820 . 4.820 2.813 1.872 3.798 . 0 0 "[ . 1]" 1
156 1 21 VAL HA 1 117 PRO HB3 5.000 . 5.000 3.746 3.225 4.513 . 0 0 "[ . 1]" 1
157 1 21 VAL HB 1 76 ILE MG 4.530 . 4.530 3.646 2.945 3.943 . 0 0 "[ . 1]" 1
158 1 21 VAL QG 1 22 LYS HG3 3.810 . 3.810 3.127 1.772 3.721 . 0 0 "[ . 1]" 1
159 1 21 VAL QG 1 73 ILE HA 4.090 . 4.090 3.626 3.032 4.240 0.150 8 0 "[ . 1]" 1
160 1 21 VAL QG 1 76 ILE MD 3.970 . 3.970 3.088 2.699 3.896 . 0 0 "[ . 1]" 1
161 1 21 VAL QG 1 76 ILE MG 3.090 . 3.090 1.938 1.762 2.411 . 0 0 "[ . 1]" 1
162 1 21 VAL QG 1 77 VAL HA 3.970 . 3.970 3.266 2.997 3.746 . 0 0 "[ . 1]" 1
163 1 21 VAL QG 1 117 PRO HB2 4.060 . 4.060 3.693 2.719 4.059 . 0 0 "[ . 1]" 1
164 1 21 VAL QG 1 117 PRO HB3 5.440 . 5.440 4.290 4.001 4.584 . 0 0 "[ . 1]" 1
165 1 21 VAL QG 1 118 LEU HA 3.870 . 3.870 2.796 2.030 3.462 . 0 0 "[ . 1]" 1
166 1 21 VAL QG 1 118 LEU MD2 3.640 . 3.640 2.105 1.767 2.854 . 0 0 "[ . 1]" 1
167 1 21 VAL QG 1 121 TRP HB3 3.830 . 3.830 2.520 2.306 2.650 . 0 0 "[ . 1]" 1
168 1 21 VAL QG 1 121 TRP HD1 3.770 . 3.770 2.781 2.478 3.473 . 0 0 "[ . 1]" 1
169 1 21 VAL MG1 1 76 ILE MD 4.810 . 4.810 3.381 2.734 4.875 0.065 10 0 "[ . 1]" 1
170 1 21 VAL MG1 1 76 ILE MG 3.530 . 3.530 2.148 1.822 2.992 . 0 0 "[ . 1]" 1
171 1 21 VAL MG1 1 121 TRP HB2 4.590 . 4.590 3.756 1.878 4.355 . 0 0 "[ . 1]" 1
172 1 21 VAL MG1 1 121 TRP HB3 4.560 . 4.560 4.021 2.411 4.617 0.057 6 0 "[ . 1]" 1
173 1 21 VAL MG1 1 121 TRP HD1 4.540 . 4.540 4.285 2.783 4.789 0.249 1 0 "[ . 1]" 1
174 1 21 VAL MG2 1 76 ILE MD 4.810 . 4.810 4.130 3.031 4.510 . 0 0 "[ . 1]" 1
175 1 21 VAL MG2 1 76 ILE MG 3.530 . 3.530 2.444 1.877 2.655 . 0 0 "[ . 1]" 1
176 1 21 VAL MG2 1 121 TRP HB2 4.590 . 4.590 2.456 1.902 4.302 . 0 0 "[ . 1]" 1
177 1 21 VAL MG2 1 121 TRP HB3 4.560 . 4.560 2.979 2.317 4.706 0.146 10 0 "[ . 1]" 1
178 1 21 VAL MG2 1 121 TRP HD1 4.540 . 4.540 3.081 2.490 4.400 . 0 0 "[ . 1]" 1
179 1 22 LYS H 1 22 LYS HB2 3.270 . 3.270 2.565 2.368 2.706 . 0 0 "[ . 1]" 1
180 1 22 LYS H 1 22 LYS HB3 3.770 . 3.770 3.557 3.519 3.640 . 0 0 "[ . 1]" 1
181 1 22 LYS H 1 22 LYS HG3 3.460 . 3.460 1.981 1.819 2.410 . 0 0 "[ . 1]" 1
182 1 22 LYS H 1 23 ASN H 3.620 . 3.620 2.503 2.256 2.639 . 0 0 "[ . 1]" 1
183 1 22 LYS H 1 23 ASN QB 4.370 . 4.370 4.216 3.942 4.362 . 0 0 "[ . 1]" 1
184 1 22 LYS H 1 24 ILE H 4.800 . 4.800 4.477 4.250 5.220 0.420 7 0 "[ . 1]" 1
185 1 22 LYS H 1 77 VAL MG1 5.500 . 5.500 4.880 4.552 5.576 0.076 7 0 "[ . 1]" 1
186 1 22 LYS HA 1 22 LYS QD 4.300 . 4.300 3.972 3.843 4.149 . 0 0 "[ . 1]" 1
187 1 22 LYS HA 1 22 LYS HG2 3.650 . 3.650 2.578 2.356 2.834 . 0 0 "[ . 1]" 1
188 1 22 LYS HA 1 73 ILE MD 4.560 . 4.560 3.958 3.202 4.742 0.182 9 0 "[ . 1]" 1
189 1 22 LYS HA 1 73 ILE MG 3.730 . 3.730 2.651 1.990 3.395 . 0 0 "[ . 1]" 1
190 1 22 LYS HA 1 77 VAL MG2 3.740 . 3.740 3.650 3.247 3.872 0.132 8 0 "[ . 1]" 1
191 1 22 LYS HB2 1 22 LYS QD 3.000 . 3.000 2.464 2.136 2.794 . 0 0 "[ . 1]" 1
192 1 22 LYS HB3 1 22 LYS QD 3.290 . 3.290 2.367 2.192 2.625 . 0 0 "[ . 1]" 1
193 1 22 LYS HB3 1 77 VAL MG2 4.060 . 4.060 4.192 3.996 4.288 0.228 1 0 "[ . 1]" 1
194 1 22 LYS QD 1 77 VAL MG1 3.780 . 3.780 2.756 2.153 3.687 . 0 0 "[ . 1]" 1
195 1 22 LYS QE 1 77 VAL MG1 4.020 . 4.020 2.216 1.827 3.285 . 0 0 "[ . 1]" 1
196 1 22 LYS QE 1 77 VAL MG2 4.220 . 4.220 2.864 1.995 3.479 . 0 0 "[ . 1]" 1
197 1 22 LYS HG2 1 77 VAL MG1 4.430 . 4.430 3.208 2.290 3.663 . 0 0 "[ . 1]" 1
198 1 22 LYS HG2 1 77 VAL MG2 3.520 . 3.520 2.084 2.007 2.344 . 0 0 "[ . 1]" 1
199 1 22 LYS HG3 1 77 VAL MG1 4.580 . 4.580 3.383 2.702 3.989 . 0 0 "[ . 1]" 1
200 1 22 LYS HG3 1 77 VAL MG2 3.330 . 3.330 2.564 2.174 3.080 . 0 0 "[ . 1]" 1
201 1 23 ASN H 1 23 ASN QB 3.260 . 3.260 2.202 2.077 2.277 . 0 0 "[ . 1]" 1
202 1 23 ASN HB2 1 24 ILE H 4.480 . 4.480 3.952 3.427 4.222 . 0 0 "[ . 1]" 1
203 1 23 ASN HB3 1 24 ILE H 4.480 . 4.480 3.010 1.928 3.447 . 0 0 "[ . 1]" 1
204 1 24 ILE H 1 24 ILE MG 3.270 . 3.270 2.285 2.024 3.024 . 0 0 "[ . 1]" 1
205 1 24 ILE H 1 25 LYS H 4.720 . 4.720 4.484 4.436 4.528 . 0 0 "[ . 1]" 1
206 1 24 ILE H 1 73 ILE MD 5.150 . 5.150 4.710 3.966 5.226 0.076 7 0 "[ . 1]" 1
207 1 24 ILE H 1 114 ALA HA 5.490 . 5.490 4.926 4.483 5.176 . 0 0 "[ . 1]" 1
208 1 24 ILE H 1 114 ALA MB 5.500 . 5.500 4.815 4.411 5.611 0.111 8 0 "[ . 1]" 1
209 1 24 ILE H 1 117 PRO HB2 5.500 . 5.500 5.006 4.551 5.570 0.070 8 0 "[ . 1]" 1
210 1 24 ILE HA 1 24 ILE MG 3.440 . 3.440 2.370 2.124 2.529 . 0 0 "[ . 1]" 1
211 1 24 ILE HB 1 24 ILE MD 3.580 . 3.580 2.441 2.187 2.611 . 0 0 "[ . 1]" 1
212 1 24 ILE HB 1 25 LYS H 4.070 . 4.070 3.228 2.891 3.394 . 0 0 "[ . 1]" 1
213 1 24 ILE HB 1 27 GLN QG 5.500 . 5.500 4.911 4.542 5.649 0.149 3 0 "[ . 1]" 1
214 1 24 ILE HB 1 73 ILE MD 4.440 . 4.440 4.457 3.779 4.718 0.278 7 0 "[ . 1]" 1
215 1 24 ILE MD 1 28 GLN HB2 5.150 . 5.150 4.093 3.041 4.951 . 0 0 "[ . 1]" 1
216 1 24 ILE MD 1 28 GLN QB 4.530 . 4.530 3.467 2.644 4.048 . 0 0 "[ . 1]" 1
217 1 24 ILE MD 1 28 GLN HB3 5.150 . 5.150 3.790 2.905 4.383 . 0 0 "[ . 1]" 1
218 1 24 ILE MD 1 28 GLN QG 5.190 . 5.190 3.873 3.196 4.773 . 0 0 "[ . 1]" 1
219 1 24 ILE MD 1 72 PHE QE 4.370 . 4.370 3.039 2.427 3.916 . 0 0 "[ . 1]" 1
220 1 24 ILE MD 1 73 ILE MD 3.090 . 3.090 1.871 1.752 2.064 . 0 0 "[ . 1]" 1
221 1 24 ILE MD 1 73 ILE HG13 4.380 . 4.380 3.573 2.826 4.116 . 0 0 "[ . 1]" 1
222 1 24 ILE MD 1 114 ALA HA 3.840 . 3.840 3.473 1.937 4.087 0.247 9 0 "[ . 1]" 1
223 1 24 ILE MD 1 114 ALA MB 3.410 . 3.410 2.455 1.902 3.083 . 0 0 "[ . 1]" 1
224 1 24 ILE MD 1 115 CYS H 5.500 . 5.500 5.152 4.542 5.525 0.025 2 0 "[ . 1]" 1
225 1 24 ILE MD 1 117 PRO HB2 4.540 . 4.540 3.971 3.617 4.585 0.045 4 0 "[ . 1]" 1
226 1 24 ILE MD 1 118 LEU H 4.480 . 4.480 4.573 4.286 4.814 0.334 4 0 "[ . 1]" 1
227 1 24 ILE MD 1 118 LEU MD2 3.050 . 3.050 2.142 1.794 2.741 . 0 0 "[ . 1]" 1
228 1 24 ILE MG 1 28 GLN HB2 4.740 . 4.740 3.949 3.283 4.320 . 0 0 "[ . 1]" 1
229 1 24 ILE MG 1 28 GLN QB 4.120 . 4.120 3.499 2.673 3.878 . 0 0 "[ . 1]" 1
230 1 24 ILE MG 1 28 GLN HB3 4.740 . 4.740 3.943 2.831 4.633 . 0 0 "[ . 1]" 1
231 1 24 ILE MG 1 28 GLN HG2 4.830 . 4.830 4.622 2.831 5.272 0.442 5 0 "[ . 1]" 1
232 1 24 ILE MG 1 28 GLN HG3 4.830 . 4.830 3.537 2.121 4.377 . 0 0 "[ . 1]" 1
233 1 24 ILE MG 1 114 ALA HA 3.810 . 3.810 1.867 1.831 1.932 . 0 0 "[ . 1]" 1
234 1 24 ILE MG 1 114 ALA MB 3.060 . 3.060 2.068 1.846 2.551 . 0 0 "[ . 1]" 1
235 1 24 ILE MG 1 115 CYS H 5.300 . 5.300 4.297 4.093 4.469 . 0 0 "[ . 1]" 1
236 1 24 ILE MG 1 116 GLY H 5.060 . 5.060 5.385 5.288 5.636 0.576 1 1 "[+ . 1]" 1
237 1 24 ILE MG 1 117 PRO HB2 4.600 . 4.600 3.274 2.723 4.382 . 0 0 "[ . 1]" 1
238 1 24 ILE MG 1 117 PRO HB3 4.850 . 4.850 3.984 3.571 4.700 . 0 0 "[ . 1]" 1
239 1 24 ILE MG 1 118 LEU H 4.910 . 4.910 4.396 4.000 5.123 0.213 7 0 "[ . 1]" 1
240 1 25 LYS H 1 27 GLN QG 4.050 . 4.050 3.113 2.732 3.781 . 0 0 "[ . 1]" 1
241 1 25 LYS H 1 28 GLN H 4.810 . 4.810 3.650 3.022 3.867 . 0 0 "[ . 1]" 1
242 1 27 GLN HA 1 27 GLN QG 3.370 . 3.370 3.304 3.292 3.328 . 0 0 "[ . 1]" 1
243 1 27 GLN HA 1 30 THR MG 5.230 . 5.230 4.479 4.332 4.702 . 0 0 "[ . 1]" 1
244 1 27 GLN QB 1 28 GLN H 4.120 . 4.120 3.437 3.284 3.625 . 0 0 "[ . 1]" 1
245 1 27 GLN QB 1 29 LEU H 5.340 . 5.340 4.920 4.814 5.141 . 0 0 "[ . 1]" 1
246 1 27 GLN QB 1 30 THR HB 5.340 . 5.340 4.646 4.280 5.045 . 0 0 "[ . 1]" 1
247 1 27 GLN QG 1 28 GLN H 3.320 . 3.320 1.971 1.852 2.098 . 0 0 "[ . 1]" 1
248 1 27 GLN QG 1 29 LEU H 4.750 . 4.750 4.075 3.737 4.290 . 0 0 "[ . 1]" 1
249 1 28 GLN H 1 28 GLN QB 3.390 . 3.390 2.265 2.146 2.420 . 0 0 "[ . 1]" 1
250 1 28 GLN H 1 29 LEU H 3.680 . 3.680 2.462 2.337 2.533 . 0 0 "[ . 1]" 1
251 1 28 GLN H 1 29 LEU QD 3.930 . 3.930 3.675 3.278 4.018 0.088 3 0 "[ . 1]" 1
252 1 28 GLN H 1 30 THR H 4.640 . 4.640 4.231 4.047 4.373 . 0 0 "[ . 1]" 1
253 1 28 GLN H 1 114 ALA MB 5.050 . 5.050 4.659 4.223 5.346 0.296 1 0 "[ . 1]" 1
254 1 28 GLN HA 1 28 GLN HG2 4.020 . 4.020 2.802 2.376 3.410 . 0 0 "[ . 1]" 1
255 1 28 GLN HA 1 28 GLN HG3 4.020 . 4.020 3.415 2.078 3.692 . 0 0 "[ . 1]" 1
256 1 28 GLN HA 1 114 ALA MB 4.040 . 4.040 4.011 3.864 4.208 0.168 8 0 "[ . 1]" 1
257 1 28 GLN QB 1 28 GLN QG 2.340 . 2.340 2.038 2.005 2.057 . 0 0 "[ . 1]" 1
258 1 28 GLN QB 1 114 ALA HA 4.570 . 4.570 4.397 3.791 4.879 0.309 6 0 "[ . 1]" 1
259 1 28 GLN QB 1 114 ALA MB 3.140 . 3.140 2.170 1.828 2.459 . 0 0 "[ . 1]" 1
260 1 28 GLN HB2 1 114 ALA MB 3.850 . 3.850 2.695 2.190 3.609 . 0 0 "[ . 1]" 1
261 1 28 GLN HB3 1 114 ALA MB 3.850 . 3.850 2.606 1.959 3.321 . 0 0 "[ . 1]" 1
262 1 28 GLN QG 1 114 ALA HA 4.490 . 4.490 4.262 3.681 4.575 0.085 1 0 "[ . 1]" 1
263 1 28 GLN QG 1 114 ALA MB 4.140 . 4.140 2.298 1.874 3.448 . 0 0 "[ . 1]" 1
264 1 28 GLN HG2 1 114 ALA MB 4.930 . 4.930 3.480 2.761 4.566 . 0 0 "[ . 1]" 1
265 1 28 GLN HG3 1 114 ALA MB 4.930 . 4.930 2.434 1.887 3.747 . 0 0 "[ . 1]" 1
266 1 29 LEU H 1 29 LEU HB2 3.690 . 3.690 2.163 2.103 2.228 . 0 0 "[ . 1]" 1
267 1 29 LEU H 1 29 LEU QB 3.210 . 3.210 2.142 2.083 2.206 . 0 0 "[ . 1]" 1
268 1 29 LEU H 1 29 LEU HB3 3.690 . 3.690 3.457 3.373 3.527 . 0 0 "[ . 1]" 1
269 1 29 LEU H 1 29 LEU QD 3.500 . 3.500 2.351 2.003 2.628 . 0 0 "[ . 1]" 1
270 1 29 LEU H 1 30 THR H 3.770 . 3.770 2.519 2.427 2.665 . 0 0 "[ . 1]" 1
271 1 29 LEU HA 1 29 LEU MD1 4.010 . 4.010 2.337 2.013 3.041 . 0 0 "[ . 1]" 1
272 1 29 LEU HA 1 29 LEU QD 3.010 . 3.010 2.213 1.802 2.856 . 0 0 "[ . 1]" 1
273 1 29 LEU HA 1 29 LEU MD2 4.010 . 4.010 2.992 2.013 3.689 . 0 0 "[ . 1]" 1
274 1 29 LEU HA 1 32 ILE H 4.020 . 4.020 3.850 3.543 4.100 0.080 10 0 "[ . 1]" 1
275 1 29 LEU QB 1 29 LEU QD 2.800 . 2.800 1.956 1.907 2.027 . 0 0 "[ . 1]" 1
276 1 29 LEU QB 1 30 THR H 3.480 . 3.480 2.620 2.484 2.806 . 0 0 "[ . 1]" 1
277 1 29 LEU QB 1 32 ILE H 5.340 . 5.340 5.236 5.023 5.455 0.115 4 0 "[ . 1]" 1
278 1 29 LEU QB 1 72 PHE HB3 5.340 . 5.340 5.036 4.414 5.500 0.160 3 0 "[ . 1]" 1
279 1 29 LEU HB2 1 30 THR H 4.120 . 4.120 2.811 2.639 3.087 . 0 0 "[ . 1]" 1
280 1 29 LEU HB3 1 30 THR H 4.120 . 4.120 3.154 2.937 3.315 . 0 0 "[ . 1]" 1
281 1 29 LEU QD 1 30 THR H 4.430 . 4.430 3.870 3.762 4.040 . 0 0 "[ . 1]" 1
282 1 29 LEU QD 1 31 GLU H 5.440 . 5.440 5.063 4.842 5.258 . 0 0 "[ . 1]" 1
283 1 29 LEU QD 1 72 PHE HB3 4.070 . 4.070 2.387 1.947 3.058 . 0 0 "[ . 1]" 1
284 1 29 LEU QD 1 73 ILE H 4.440 . 4.440 3.451 2.673 4.331 . 0 0 "[ . 1]" 1
285 1 29 LEU QD 1 73 ILE HB 4.920 . 4.920 4.054 2.869 4.887 . 0 0 "[ . 1]" 1
286 1 29 LEU QD 1 73 ILE MD 3.020 . 3.020 2.369 2.011 2.991 . 0 0 "[ . 1]" 1
287 1 29 LEU QD 1 73 ILE HG12 4.210 . 4.210 2.426 1.907 3.028 . 0 0 "[ . 1]" 1
288 1 29 LEU QD 1 73 ILE HG13 4.730 . 4.730 2.702 1.875 3.277 . 0 0 "[ . 1]" 1
289 1 29 LEU MD1 1 72 PHE HB3 4.690 . 4.690 3.465 2.138 4.713 0.023 1 0 "[ . 1]" 1
290 1 29 LEU MD1 1 72 PHE QD 3.590 . 3.590 2.518 1.902 3.220 . 0 0 "[ . 1]" 1
291 1 29 LEU MD2 1 72 PHE HB3 4.690 . 4.690 2.967 1.952 4.081 . 0 0 "[ . 1]" 1
292 1 29 LEU MD2 1 72 PHE QD 3.590 . 3.590 2.338 1.873 2.699 . 0 0 "[ . 1]" 1
293 1 29 LEU HG 1 72 PHE HB3 3.960 . 3.960 3.891 3.594 4.193 0.233 3 0 "[ . 1]" 1
294 1 30 THR H 1 30 THR MG 3.830 . 3.830 3.749 3.735 3.765 . 0 0 "[ . 1]" 1
295 1 30 THR H 1 31 GLU H 4.210 . 4.210 2.600 2.365 2.700 . 0 0 "[ . 1]" 1
296 1 30 THR H 1 32 ILE H 5.300 . 5.300 4.390 4.275 4.465 . 0 0 "[ . 1]" 1
297 1 30 THR HA 1 30 THR MG 3.290 . 3.290 2.333 2.280 2.370 . 0 0 "[ . 1]" 1
298 1 30 THR HA 1 33 ARG QB 3.770 . 3.770 2.791 2.596 2.943 . 0 0 "[ . 1]" 1
299 1 30 THR HA 1 33 ARG QD 4.530 . 4.530 3.952 3.190 4.567 0.037 3 0 "[ . 1]" 1
300 1 30 THR HB 1 31 GLU QB 5.340 . 5.340 4.051 3.960 4.199 . 0 0 "[ . 1]" 1
301 1 30 THR MG 1 31 GLU H 3.980 . 3.980 3.522 3.377 3.696 . 0 0 "[ . 1]" 1
302 1 30 THR MG 1 31 GLU HA 4.470 . 4.470 3.494 3.395 3.609 . 0 0 "[ . 1]" 1
303 1 30 THR MG 1 33 ARG H 5.090 . 5.090 4.774 4.579 4.940 . 0 0 "[ . 1]" 1
304 1 30 THR MG 1 33 ARG QB 4.020 . 4.020 3.909 3.726 4.037 0.017 8 0 "[ . 1]" 1
305 1 30 THR MG 1 34 SER H 4.540 . 4.540 4.107 3.824 4.249 . 0 0 "[ . 1]" 1
306 1 31 GLU H 1 31 GLU QG 4.040 . 4.040 3.953 3.918 4.027 . 0 0 "[ . 1]" 1
307 1 31 GLU H 1 32 ILE H 4.070 . 4.070 2.709 2.653 2.747 . 0 0 "[ . 1]" 1
308 1 31 GLU H 1 32 ILE MD 5.500 . 5.500 5.337 5.005 5.673 0.173 1 0 "[ . 1]" 1
309 1 31 GLU H 1 32 ILE QG 4.440 . 4.440 4.447 4.346 4.570 0.130 2 0 "[ . 1]" 1
310 1 31 GLU H 1 33 ARG H 4.720 . 4.720 3.909 3.753 4.052 . 0 0 "[ . 1]" 1
311 1 31 GLU HA 1 31 GLU QG 3.910 . 3.910 2.468 2.164 2.939 . 0 0 "[ . 1]" 1
312 1 31 GLU QB 1 32 ILE MD 4.200 . 4.200 4.153 3.450 4.488 0.288 10 0 "[ . 1]" 1
313 1 31 GLU QG 1 32 ILE HA 5.140 . 5.140 3.414 3.208 3.879 . 0 0 "[ . 1]" 1
314 1 31 GLU QG 1 32 ILE MD 4.750 . 4.750 4.378 3.214 4.938 0.188 10 0 "[ . 1]" 1
315 1 32 ILE H 1 32 ILE HB 3.300 . 3.300 2.452 2.429 2.484 . 0 0 "[ . 1]" 1
316 1 32 ILE H 1 32 ILE MD 3.880 . 3.880 3.431 3.262 3.615 . 0 0 "[ . 1]" 1
317 1 32 ILE H 1 33 ARG H 3.820 . 3.820 2.690 2.643 2.722 . 0 0 "[ . 1]" 1
318 1 32 ILE HA 1 32 ILE MD 3.990 . 3.990 3.074 1.950 3.825 . 0 0 "[ . 1]" 1
319 1 32 ILE HA 1 32 ILE HG12 3.900 . 3.900 2.672 2.425 3.028 . 0 0 "[ . 1]" 1
320 1 32 ILE HA 1 32 ILE HG13 3.900 . 3.900 3.144 2.735 3.701 . 0 0 "[ . 1]" 1
321 1 32 ILE HA 1 32 ILE MG 3.350 . 3.350 2.404 2.366 2.446 . 0 0 "[ . 1]" 1
322 1 32 ILE HA 1 35 MET H 4.290 . 4.290 3.499 3.333 3.701 . 0 0 "[ . 1]" 1
323 1 32 ILE HA 1 35 MET QB 4.650 . 4.650 2.649 2.258 3.354 . 0 0 "[ . 1]" 1
324 1 32 ILE HA 1 35 MET ME 3.200 . 3.200 2.607 1.919 3.461 0.261 9 0 "[ . 1]" 1
325 1 32 ILE HA 1 35 MET HG2 4.500 . 4.500 4.320 3.855 4.607 0.107 4 0 "[ . 1]" 1
326 1 32 ILE HA 1 35 MET QG 3.690 . 3.690 2.732 2.161 3.494 . 0 0 "[ . 1]" 1
327 1 32 ILE HA 1 35 MET HG3 4.500 . 4.500 2.769 2.172 3.640 . 0 0 "[ . 1]" 1
328 1 32 ILE HA 1 42 VAL QG 4.870 . 4.870 3.912 3.606 4.236 . 0 0 "[ . 1]" 1
329 1 32 ILE HB 1 32 ILE MD 3.400 . 3.400 2.630 2.186 3.231 . 0 0 "[ . 1]" 1
330 1 32 ILE HB 1 33 ARG H 3.530 . 3.530 2.785 2.625 2.986 . 0 0 "[ . 1]" 1
331 1 32 ILE HB 1 35 MET QG 5.340 . 5.340 5.371 4.896 5.934 0.594 9 1 "[ . +1]" 1
332 1 32 ILE MG 1 33 ARG HA 4.360 . 4.360 3.394 3.283 3.563 . 0 0 "[ . 1]" 1
333 1 32 ILE MG 1 35 MET QG 5.000 . 5.000 4.456 4.031 5.000 . 0 0 "[ . 1]" 1
334 1 32 ILE MG 1 46 MET QG 3.650 . 3.650 3.221 2.783 3.826 0.176 1 0 "[ . 1]" 1
335 1 32 ILE MG 1 60 TRP HH2 4.070 . 4.070 3.330 2.692 3.944 . 0 0 "[ . 1]" 1
336 1 32 ILE MG 1 67 ILE MD 3.530 . 3.530 2.611 2.018 3.284 . 0 0 "[ . 1]" 1
337 1 33 ARG H 1 33 ARG QB 3.510 . 3.510 2.241 2.083 2.305 . 0 0 "[ . 1]" 1
338 1 33 ARG H 1 34 SER H 3.860 . 3.860 2.400 2.232 2.531 . 0 0 "[ . 1]" 1
339 1 33 ARG H 1 35 MET QG 5.080 . 5.080 4.908 4.638 5.110 0.030 9 0 "[ . 1]" 1
340 1 33 ARG HA 1 33 ARG QD 4.340 . 4.340 3.980 3.738 4.101 . 0 0 "[ . 1]" 1
341 1 33 ARG HA 1 64 GLN QG 5.500 . 5.500 4.001 2.609 5.720 0.220 8 0 "[ . 1]" 1
342 1 33 ARG HA 1 67 ILE MD 4.000 . 4.000 3.563 2.991 4.082 0.082 4 0 "[ . 1]" 1
343 1 33 ARG QB 1 34 SER H 3.950 . 3.950 2.901 2.620 3.074 . 0 0 "[ . 1]" 1
344 1 33 ARG QB 1 34 SER QB 4.510 . 4.510 3.961 3.672 4.425 . 0 0 "[ . 1]" 1
345 1 33 ARG QD 1 67 ILE MD 5.390 . 5.390 4.668 3.020 5.459 0.069 7 0 "[ . 1]" 1
346 1 33 ARG QD 1 68 ARG HA 3.510 . 3.510 2.869 1.967 3.474 . 0 0 "[ . 1]" 1
347 1 33 ARG QD 1 68 ARG QB 4.000 . 4.000 3.119 2.380 4.032 0.032 8 0 "[ . 1]" 1
348 1 33 ARG QD 1 68 ARG QG 4.170 . 4.170 2.455 1.896 3.440 . 0 0 "[ . 1]" 1
349 1 33 ARG QG 1 67 ILE MD 4.030 . 4.030 3.333 2.264 4.109 0.079 7 0 "[ . 1]" 1
350 1 33 ARG QG 1 67 ILE QG 4.720 . 4.720 3.373 2.373 4.384 . 0 0 "[ . 1]" 1
351 1 33 ARG QG 1 68 ARG HA 3.890 . 3.890 3.054 2.084 3.630 . 0 0 "[ . 1]" 1
352 1 34 SER H 1 34 SER QB 3.250 . 3.250 2.376 2.227 2.646 . 0 0 "[ . 1]" 1
353 1 34 SER QB 1 35 MET H 3.890 . 3.890 3.324 2.994 3.728 . 0 0 "[ . 1]" 1
354 1 34 SER QB 1 35 MET HA 4.400 . 4.400 4.267 4.086 4.538 0.138 4 0 "[ . 1]" 1
355 1 34 SER QB 1 35 MET QG 4.360 . 4.360 4.164 3.514 4.533 0.173 4 0 "[ . 1]" 1
356 1 35 MET H 1 35 MET QG 3.650 . 3.650 2.863 2.469 3.089 . 0 0 "[ . 1]" 1
357 1 35 MET H 1 38 PRO HB3 5.500 . 5.500 5.358 5.052 5.592 0.092 10 0 "[ . 1]" 1
358 1 35 MET HA 1 35 MET HG2 3.950 . 3.950 2.130 2.005 2.688 . 0 0 "[ . 1]" 1
359 1 35 MET HA 1 35 MET QG 3.470 . 3.470 2.075 1.988 2.338 . 0 0 "[ . 1]" 1
360 1 35 MET HA 1 35 MET HG3 3.950 . 3.950 3.192 2.570 3.420 . 0 0 "[ . 1]" 1
361 1 35 MET QB 1 35 MET ME 3.360 . 3.360 2.569 2.126 2.950 . 0 0 "[ . 1]" 1
362 1 35 MET QB 1 38 PRO HB2 4.370 . 4.370 4.111 3.903 4.350 . 0 0 "[ . 1]" 1
363 1 35 MET QB 1 38 PRO HB3 4.650 . 4.650 2.677 2.405 3.267 . 0 0 "[ . 1]" 1
364 1 35 MET QB 1 38 PRO QG 5.180 . 5.180 2.871 1.914 3.523 . 0 0 "[ . 1]" 1
365 1 35 MET ME 1 35 MET HG2 3.450 . 3.450 3.144 2.323 3.343 . 0 0 "[ . 1]" 1
366 1 35 MET ME 1 35 MET QG 2.960 . 2.960 2.136 1.981 2.306 . 0 0 "[ . 1]" 1
367 1 35 MET ME 1 35 MET HG3 3.450 . 3.450 2.269 2.003 3.334 . 0 0 "[ . 1]" 1
368 1 35 MET ME 1 38 PRO HA 4.060 . 4.060 2.638 1.915 3.455 . 0 0 "[ . 1]" 1
369 1 35 MET ME 1 38 PRO HB3 3.570 . 3.570 2.142 1.986 2.372 . 0 0 "[ . 1]" 1
370 1 35 MET ME 1 42 VAL H 5.500 . 5.500 5.631 5.564 5.701 0.201 5 0 "[ . 1]" 1
371 1 35 MET ME 1 42 VAL QG 2.970 . 2.970 2.695 2.340 3.016 0.046 9 0 "[ . 1]" 1
372 1 35 MET ME 1 112 SER QB 4.190 . 4.190 3.932 2.550 4.345 0.155 9 0 "[ . 1]" 1
373 1 35 MET QG 1 38 PRO HA 5.340 . 5.340 4.311 4.184 4.441 . 0 0 "[ . 1]" 1
374 1 35 MET QG 1 38 PRO HD3 5.340 . 5.340 4.746 4.339 5.246 . 0 0 "[ . 1]" 1
375 1 36 VAL H 1 36 VAL QG 3.850 . 3.850 2.110 1.777 2.832 . 0 0 "[ . 1]" 1
376 1 36 VAL HA 1 36 VAL MG1 3.370 . 3.370 2.550 2.246 3.193 . 0 0 "[ . 1]" 1
377 1 36 VAL HA 1 36 VAL MG2 3.370 . 3.370 2.570 2.157 3.198 . 0 0 "[ . 1]" 1
378 1 36 VAL HA 1 37 ASN QB 5.080 . 5.080 4.824 3.989 5.297 0.217 7 0 "[ . 1]" 1
379 1 36 VAL HB 1 37 ASN QB 4.950 . 4.950 4.160 3.616 5.175 0.225 8 0 "[ . 1]" 1
380 1 36 VAL QG 1 37 ASN H 3.970 . 3.970 2.790 1.963 3.703 . 0 0 "[ . 1]" 1
381 1 36 VAL QG 1 37 ASN QB 3.720 . 3.720 2.808 2.189 3.706 . 0 0 "[ . 1]" 1
382 1 37 ASN HA 1 38 PRO HB2 5.500 . 5.500 5.467 5.017 5.600 0.100 5 0 "[ . 1]" 1
383 1 37 ASN HA 1 38 PRO HB3 5.500 . 5.500 5.348 5.237 5.709 0.209 10 0 "[ . 1]" 1
384 1 37 ASN HA 1 38 PRO HD2 3.460 . 3.460 2.152 2.025 2.444 . 0 0 "[ . 1]" 1
385 1 37 ASN HA 1 38 PRO HD3 3.710 . 3.710 2.794 2.394 2.925 . 0 0 "[ . 1]" 1
386 1 37 ASN HA 1 38 PRO HG2 4.850 . 4.850 4.325 4.194 4.668 . 0 0 "[ . 1]" 1
387 1 37 ASN HA 1 38 PRO QG 4.130 . 4.130 3.976 3.888 4.180 0.050 10 0 "[ . 1]" 1
388 1 37 ASN HA 1 38 PRO HG3 4.850 . 4.850 4.654 4.544 4.716 . 0 0 "[ . 1]" 1
389 1 37 ASN QB 1 38 PRO HD2 4.360 . 4.360 4.138 3.875 4.466 0.106 10 0 "[ . 1]" 1
390 1 37 ASN HB2 1 38 PRO HD2 5.110 . 5.110 4.686 4.293 5.190 0.080 4 0 "[ . 1]" 1
391 1 37 ASN HB3 1 38 PRO HD2 5.110 . 5.110 4.648 4.288 5.028 . 0 0 "[ . 1]" 1
392 1 38 PRO HA 1 39 PRO QB 5.230 . 5.230 4.733 4.598 4.836 . 0 0 "[ . 1]" 1
393 1 38 PRO HA 1 39 PRO HD2 3.780 . 3.780 2.714 2.457 2.976 . 0 0 "[ . 1]" 1
394 1 38 PRO HA 1 39 PRO HD3 3.780 . 3.780 2.170 1.971 2.416 . 0 0 "[ . 1]" 1
395 1 38 PRO HA 1 39 PRO HG2 5.010 . 5.010 4.627 4.575 4.666 . 0 0 "[ . 1]" 1
396 1 38 PRO HA 1 39 PRO QG 4.270 . 4.270 3.970 3.838 4.115 . 0 0 "[ . 1]" 1
397 1 38 PRO HA 1 39 PRO HG3 5.010 . 5.010 4.337 4.122 4.605 . 0 0 "[ . 1]" 1
398 1 38 PRO HA 1 42 VAL HB 5.500 . 5.500 4.794 4.543 4.972 . 0 0 "[ . 1]" 1
399 1 38 PRO HA 1 42 VAL QG 5.440 . 5.440 4.106 3.849 4.290 . 0 0 "[ . 1]" 1
400 1 38 PRO HB2 1 39 PRO HD2 4.640 . 4.640 2.528 2.139 3.349 . 0 0 "[ . 1]" 1
401 1 38 PRO HB2 1 39 PRO QD 4.040 . 4.040 2.471 2.124 3.192 . 0 0 "[ . 1]" 1
402 1 38 PRO HB2 1 39 PRO HD3 4.640 . 4.640 3.620 3.288 4.023 . 0 0 "[ . 1]" 1
403 1 38 PRO HB2 1 42 VAL H 5.070 . 5.070 4.740 4.232 5.182 0.112 4 0 "[ . 1]" 1
404 1 38 PRO HB2 1 42 VAL HB 4.620 . 4.620 2.674 2.113 3.195 . 0 0 "[ . 1]" 1
405 1 38 PRO HB2 1 42 VAL QG 4.660 . 4.660 2.709 2.267 3.292 . 0 0 "[ . 1]" 1
406 1 38 PRO HB2 1 43 LYS HA 5.500 . 5.500 5.010 4.402 5.369 . 0 0 "[ . 1]" 1
407 1 38 PRO HB3 1 39 PRO HD2 4.890 . 4.890 2.895 2.407 3.238 . 0 0 "[ . 1]" 1
408 1 38 PRO HB3 1 39 PRO QD 4.290 . 4.290 2.756 2.292 2.966 . 0 0 "[ . 1]" 1
409 1 38 PRO HB3 1 39 PRO HD3 4.890 . 4.890 3.572 2.877 3.968 . 0 0 "[ . 1]" 1
410 1 38 PRO HB3 1 42 VAL QG 4.640 . 4.640 3.099 2.785 3.386 . 0 0 "[ . 1]" 1
411 1 38 PRO HD2 1 60 TRP HE1 4.240 . 4.240 3.940 3.034 4.387 0.147 9 0 "[ . 1]" 1
412 1 38 PRO HD3 1 60 TRP HE1 4.880 . 4.880 4.116 3.619 4.847 . 0 0 "[ . 1]" 1
413 1 38 PRO QG 1 43 LYS HA 5.060 . 5.060 4.542 4.175 5.256 0.196 4 0 "[ . 1]" 1
414 1 38 PRO QG 1 60 TRP HE1 3.710 . 3.710 3.136 2.564 3.787 0.077 9 0 "[ . 1]" 1
415 1 38 PRO QG 1 60 TRP HH2 4.670 . 4.670 4.179 3.374 4.597 . 0 0 "[ . 1]" 1
416 1 38 PRO HG2 1 60 TRP HE1 4.570 . 4.570 3.863 2.860 4.472 . 0 0 "[ . 1]" 1
417 1 38 PRO HG3 1 60 TRP HE1 4.570 . 4.570 3.526 2.662 4.539 . 0 0 "[ . 1]" 1
418 1 39 PRO HA 1 42 VAL H 5.450 . 5.450 4.710 4.595 4.842 . 0 0 "[ . 1]" 1
419 1 39 PRO HA 1 42 VAL QG 5.440 . 5.440 4.578 4.291 4.857 . 0 0 "[ . 1]" 1
420 1 39 PRO QB 1 41 GLY H 4.290 . 4.290 2.800 2.526 2.996 . 0 0 "[ . 1]" 1
421 1 39 PRO QB 1 42 VAL H 4.920 . 4.920 2.805 2.387 3.260 . 0 0 "[ . 1]" 1
422 1 39 PRO QB 1 42 VAL QG 3.840 . 3.840 2.846 2.030 3.551 . 0 0 "[ . 1]" 1
423 1 39 PRO QB 1 111 ALA MB 4.210 . 4.210 2.143 1.787 2.980 . 0 0 "[ . 1]" 1
424 1 39 PRO QD 1 42 VAL QG 3.740 . 3.740 2.132 2.005 2.371 . 0 0 "[ . 1]" 1
425 1 39 PRO QD 1 111 ALA MB 4.410 . 4.410 3.642 3.209 3.881 . 0 0 "[ . 1]" 1
426 1 39 PRO QG 1 41 GLY HA3 4.930 . 4.930 4.874 4.120 5.469 0.539 8 2 "[ . + -]" 1
427 1 39 PRO QG 1 42 VAL QG 3.120 . 3.120 2.149 1.916 2.576 . 0 0 "[ . 1]" 1
428 1 39 PRO QG 1 111 ALA HA 3.960 . 3.960 2.706 2.383 3.164 . 0 0 "[ . 1]" 1
429 1 39 PRO HG2 1 111 ALA MB 4.190 . 4.190 2.203 2.035 2.481 . 0 0 "[ . 1]" 1
430 1 39 PRO HG3 1 111 ALA MB 4.190 . 4.190 3.070 2.386 3.699 . 0 0 "[ . 1]" 1
431 1 40 SER HA 1 43 LYS H 4.030 . 4.030 3.424 3.292 3.520 . 0 0 "[ . 1]" 1
432 1 40 SER HA 1 43 LYS QB 4.010 . 4.010 2.682 2.574 2.887 . 0 0 "[ . 1]" 1
433 1 40 SER HA 1 43 LYS QG 4.920 . 4.920 3.677 3.093 4.542 . 0 0 "[ . 1]" 1
434 1 40 SER HA 1 44 ILE HG12 5.020 . 5.020 4.713 4.196 4.936 . 0 0 "[ . 1]" 1
435 1 40 SER QB 1 44 ILE MD 4.570 . 4.570 3.719 3.114 4.059 . 0 0 "[ . 1]" 1
436 1 41 GLY H 1 42 VAL H 4.550 . 4.550 2.774 2.744 2.813 . 0 0 "[ . 1]" 1
437 1 41 GLY H 1 44 ILE H 5.440 . 5.440 5.036 4.993 5.098 . 0 0 "[ . 1]" 1
438 1 41 GLY H 1 44 ILE MD 4.480 . 4.480 3.957 3.701 4.469 . 0 0 "[ . 1]" 1
439 1 41 GLY H 1 107 THR MG 4.590 . 4.590 3.585 3.098 4.154 . 0 0 "[ . 1]" 1
440 1 41 GLY H 1 111 ALA MB 4.180 . 4.180 3.243 2.779 3.772 . 0 0 "[ . 1]" 1
441 1 41 GLY HA2 1 44 ILE HB 5.420 . 5.420 4.659 3.221 5.006 . 0 0 "[ . 1]" 1
442 1 41 GLY HA2 1 44 ILE HG12 4.440 . 4.440 2.812 2.360 4.590 0.150 5 0 "[ . 1]" 1
443 1 41 GLY HA2 1 44 ILE MG 4.040 . 4.040 3.843 3.576 4.483 0.443 3 0 "[ . 1]" 1
444 1 41 GLY HA2 1 108 ILE MD 4.780 . 4.780 3.716 3.359 4.090 . 0 0 "[ . 1]" 1
445 1 41 GLY HA2 1 108 ILE QG 4.930 . 4.930 2.539 2.121 2.983 . 0 0 "[ . 1]" 1
446 1 41 GLY HA3 1 44 ILE H 5.250 . 5.250 5.132 4.939 5.252 0.002 8 0 "[ . 1]" 1
447 1 41 GLY HA3 1 107 THR MG 3.990 . 3.990 3.171 2.611 3.793 . 0 0 "[ . 1]" 1
448 1 41 GLY HA3 1 108 ILE MD 4.640 . 4.640 4.278 3.943 4.448 . 0 0 "[ . 1]" 1
449 1 41 GLY HA3 1 108 ILE QG 4.320 . 4.320 2.655 2.244 2.823 . 0 0 "[ . 1]" 1
450 1 41 GLY HA3 1 111 ALA HA 5.500 . 5.500 5.285 4.605 5.695 0.195 5 0 "[ . 1]" 1
451 1 41 GLY HA3 1 111 ALA MB 3.910 . 3.910 2.648 2.029 3.028 . 0 0 "[ . 1]" 1
452 1 42 VAL H 1 42 VAL QG 3.860 . 3.860 2.353 2.088 2.740 . 0 0 "[ . 1]" 1
453 1 42 VAL H 1 43 LYS H 3.680 . 3.680 2.617 2.574 2.674 . 0 0 "[ . 1]" 1
454 1 42 VAL H 1 44 ILE H 4.790 . 4.790 4.281 4.190 4.374 . 0 0 "[ . 1]" 1
455 1 42 VAL H 1 45 VAL QG 5.280 . 5.280 4.280 3.930 4.432 . 0 0 "[ . 1]" 1
456 1 42 VAL H 1 108 ILE HA 4.980 . 4.980 4.683 4.499 4.951 . 0 0 "[ . 1]" 1
457 1 42 VAL H 1 108 ILE MD 5.500 . 5.500 5.848 5.648 5.997 0.497 5 0 "[ . 1]" 1
458 1 42 VAL HA 1 42 VAL MG1 3.320 . 3.320 2.418 2.312 2.642 . 0 0 "[ . 1]" 1
459 1 42 VAL HA 1 42 VAL QG 2.840 . 2.840 2.087 2.050 2.118 . 0 0 "[ . 1]" 1
460 1 42 VAL HA 1 42 VAL MG2 3.320 . 3.320 2.293 2.182 2.361 . 0 0 "[ . 1]" 1
461 1 42 VAL HA 1 45 VAL HB 4.230 . 4.230 3.011 2.567 4.202 . 0 0 "[ . 1]" 1
462 1 42 VAL HA 1 45 VAL QG 3.520 . 3.520 2.673 1.974 2.999 . 0 0 "[ . 1]" 1
463 1 42 VAL HA 1 108 ILE MG 4.330 . 4.330 3.838 3.549 4.685 0.355 3 0 "[ . 1]" 1
464 1 42 VAL HA 1 111 ALA MB 4.710 . 4.710 3.780 3.451 4.255 . 0 0 "[ . 1]" 1
465 1 42 VAL QG 1 43 LYS H 4.000 . 4.000 2.933 2.499 3.088 . 0 0 "[ . 1]" 1
466 1 42 VAL QG 1 111 ALA H 4.700 . 4.700 4.765 4.564 4.952 0.252 1 0 "[ . 1]" 1
467 1 42 VAL QG 1 111 ALA HA 4.700 . 4.700 3.902 3.684 4.158 . 0 0 "[ . 1]" 1
468 1 42 VAL QG 1 111 ALA MB 3.250 . 3.250 1.973 1.853 2.100 . 0 0 "[ . 1]" 1
469 1 42 VAL QG 1 112 SER H 4.230 . 4.230 3.909 3.608 4.190 . 0 0 "[ . 1]" 1
470 1 42 VAL QG 1 112 SER HA 5.440 . 5.440 4.431 3.804 4.786 . 0 0 "[ . 1]" 1
471 1 42 VAL QG 1 112 SER QB 3.510 . 3.510 2.315 1.842 2.700 . 0 0 "[ . 1]" 1
472 1 42 VAL QG 1 115 CYS QB 3.830 . 3.830 3.004 2.180 3.470 . 0 0 "[ . 1]" 1
473 1 43 LYS H 1 43 LYS QB 3.340 . 3.340 2.340 2.070 2.449 . 0 0 "[ . 1]" 1
474 1 43 LYS H 1 43 LYS QE 4.690 . 4.690 4.392 3.667 4.824 0.134 1 0 "[ . 1]" 1
475 1 43 LYS H 1 44 ILE H 3.760 . 3.760 2.910 2.848 2.961 . 0 0 "[ . 1]" 1
476 1 43 LYS H 1 44 ILE HG12 4.850 . 4.850 4.157 3.941 5.283 0.433 5 0 "[ . 1]" 1
477 1 43 LYS HA 1 45 VAL H 4.790 . 4.790 4.524 4.397 4.683 . 0 0 "[ . 1]" 1
478 1 43 LYS HA 1 46 MET HB2 4.750 . 4.750 3.239 2.721 3.680 . 0 0 "[ . 1]" 1
479 1 43 LYS HA 1 46 MET QG . . 4.100 3.508 2.853 4.133 0.033 4 0 "[ . 1]" 1
480 1 43 LYS HA 1 60 TRP HE1 5.500 . 5.500 6.078 5.883 6.325 0.825 1 8 "[+**-.*** *]" 1
481 1 43 LYS HA 1 60 TRP HH2 4.370 . 4.370 2.754 2.365 3.631 . 0 0 "[ . 1]" 1
482 1 43 LYS HA 1 60 TRP HZ3 4.600 . 4.600 2.457 2.293 2.755 . 0 0 "[ . 1]" 1
483 1 43 LYS QB 1 44 ILE H 3.390 . 3.390 2.404 2.335 2.484 . 0 0 "[ . 1]" 1
484 1 43 LYS QE 1 60 TRP HE1 5.330 . 5.330 4.300 3.596 5.409 0.079 4 0 "[ . 1]" 1
485 1 43 LYS QG 1 60 TRP HE1 4.610 . 4.610 4.458 4.202 4.686 0.076 1 0 "[ . 1]" 1
486 1 43 LYS QG 1 60 TRP HH2 4.320 . 4.320 3.620 3.309 4.113 . 0 0 "[ . 1]" 1
487 1 43 LYS QG 1 60 TRP HZ3 4.610 . 4.610 3.578 2.822 3.950 . 0 0 "[ . 1]" 1
488 1 44 ILE H 1 45 VAL H 3.770 . 3.770 2.764 2.702 2.842 . 0 0 "[ . 1]" 1
489 1 44 ILE H 1 45 VAL QG 4.340 . 4.340 4.146 3.816 4.284 . 0 0 "[ . 1]" 1
490 1 44 ILE H 1 46 MET H 4.880 . 4.880 4.364 4.114 4.469 . 0 0 "[ . 1]" 1
491 1 44 ILE H 1 47 GLU H 5.500 . 5.500 4.904 4.816 4.951 . 0 0 "[ . 1]" 1
492 1 44 ILE H 1 47 GLU QB 5.160 . 5.160 4.987 4.838 5.265 0.105 4 0 "[ . 1]" 1
493 1 44 ILE HA 1 44 ILE MD 4.190 . 4.190 4.060 3.786 4.138 . 0 0 "[ . 1]" 1
494 1 44 ILE HA 1 47 GLU HB2 4.550 . 4.550 3.042 2.613 3.994 . 0 0 "[ . 1]" 1
495 1 44 ILE HA 1 47 GLU QB 3.940 . 3.940 2.716 2.586 2.868 . 0 0 "[ . 1]" 1
496 1 44 ILE HA 1 47 GLU HB3 4.550 . 4.550 3.534 2.657 4.510 . 0 0 "[ . 1]" 1
497 1 44 ILE HB 1 47 GLU QB 5.230 . 5.230 4.390 4.052 5.048 . 0 0 "[ . 1]" 1
498 1 44 ILE HB 1 103 PHE QD 4.250 . 4.250 2.785 2.034 3.350 . 0 0 "[ . 1]" 1
499 1 44 ILE HB 1 108 ILE MD 5.020 . 5.020 4.336 3.231 4.917 . 0 0 "[ . 1]" 1
500 1 44 ILE MD 1 102 ASN QB 4.090 . 4.090 3.701 2.619 4.221 0.131 2 0 "[ . 1]" 1
501 1 44 ILE MD 1 103 PHE HA 4.040 . 4.040 2.607 2.045 3.116 . 0 0 "[ . 1]" 1
502 1 44 ILE MD 1 103 PHE HB2 3.900 . 3.900 3.100 2.495 3.494 . 0 0 "[ . 1]" 1
503 1 44 ILE MD 1 103 PHE HB3 4.600 . 4.600 4.226 3.845 4.622 0.022 5 0 "[ . 1]" 1
504 1 44 ILE MD 1 103 PHE QD 3.310 . 3.310 2.218 1.724 2.684 . 0 0 "[ . 1]" 1
505 1 44 ILE MD 1 104 THR H 4.520 . 4.520 4.224 3.619 4.761 0.241 5 0 "[ . 1]" 1
506 1 44 ILE HG12 1 44 ILE MG 3.500 . 3.500 2.407 2.318 2.525 . 0 0 "[ . 1]" 1
507 1 44 ILE HG12 1 103 PHE QD 5.230 . 5.230 4.635 4.086 5.111 . 0 0 "[ . 1]" 1
508 1 44 ILE HG13 1 103 PHE QD 4.110 . 4.110 3.743 2.994 4.214 0.104 10 0 "[ . 1]" 1
509 1 44 ILE MG 1 102 ASN QB 4.520 . 4.520 4.493 3.594 4.817 0.297 3 0 "[ . 1]" 1
510 1 44 ILE MG 1 103 PHE HA 4.580 . 4.580 4.506 3.923 4.923 0.343 10 0 "[ . 1]" 1
511 1 44 ILE MG 1 103 PHE QD 3.570 . 3.570 3.117 1.948 3.783 0.213 1 0 "[ . 1]" 1
512 1 44 ILE MG 1 103 PHE QE 4.660 . 4.660 3.686 2.655 4.923 0.263 1 0 "[ . 1]" 1
513 1 45 VAL H 1 45 VAL QG 3.260 . 3.260 2.185 1.953 2.293 . 0 0 "[ . 1]" 1
514 1 45 VAL H 1 46 MET H 3.700 . 3.700 2.735 2.582 2.811 . 0 0 "[ . 1]" 1
515 1 45 VAL H 1 46 MET HB2 5.250 . 5.250 4.859 4.411 5.274 0.024 5 0 "[ . 1]" 1
516 1 45 VAL H 1 47 GLU H 4.660 . 4.660 4.084 3.961 4.221 . 0 0 "[ . 1]" 1
517 1 45 VAL H 1 108 ILE MD 4.220 . 4.220 4.058 3.813 4.271 0.051 4 0 "[ . 1]" 1
518 1 45 VAL H 1 115 CYS QB 5.340 . 5.340 5.100 4.621 5.598 0.258 1 0 "[ . 1]" 1
519 1 45 VAL HA 1 46 MET HA 5.090 . 5.090 4.772 4.690 4.805 . 0 0 "[ . 1]" 1
520 1 45 VAL HA 1 46 MET ME 4.840 . 4.840 4.849 4.543 5.391 0.551 5 2 "[ + - 1]" 1
521 1 45 VAL HA 1 48 ALA MB 3.890 . 3.890 2.905 2.534 3.091 . 0 0 "[ . 1]" 1
522 1 45 VAL HA 1 49 VAL QG 4.670 . 4.670 4.453 4.263 4.626 . 0 0 "[ . 1]" 1
523 1 45 VAL HA 1 103 PHE QE 4.160 . 4.160 3.323 2.640 3.979 . 0 0 "[ . 1]" 1
524 1 45 VAL HA 1 103 PHE HZ 4.900 . 4.900 2.909 2.222 4.710 . 0 0 "[ . 1]" 1
525 1 45 VAL HA 1 108 ILE MD 4.300 . 4.300 3.758 3.539 4.361 0.061 4 0 "[ . 1]" 1
526 1 45 VAL HA 1 119 TYR HA 4.200 . 4.200 4.438 4.225 4.786 0.586 2 1 "[ + . 1]" 1
527 1 45 VAL HB 1 108 ILE MD 4.520 . 4.520 4.122 2.736 4.521 0.001 5 0 "[ . 1]" 1
528 1 45 VAL HB 1 108 ILE MG 4.250 . 4.250 3.761 3.144 4.048 . 0 0 "[ . 1]" 1
529 1 45 VAL QG 1 46 MET HA 4.870 . 4.870 3.084 3.024 3.148 . 0 0 "[ . 1]" 1
530 1 45 VAL QG 1 46 MET ME 3.740 . 3.740 2.193 1.928 2.823 . 0 0 "[ . 1]" 1
531 1 45 VAL QG 1 46 MET QG 3.980 . 3.980 3.522 2.985 4.031 0.051 8 0 "[ . 1]" 1
532 1 45 VAL QG 1 103 PHE QE 4.550 . 4.550 3.166 2.050 3.781 . 0 0 "[ . 1]" 1
533 1 45 VAL QG 1 108 ILE MG 3.370 . 3.370 2.041 1.741 2.937 . 0 0 "[ . 1]" 1
534 1 45 VAL QG 1 115 CYS HA 3.960 . 3.960 2.627 2.177 2.921 . 0 0 "[ . 1]" 1
535 1 45 VAL QG 1 115 CYS QB 3.420 . 3.420 2.183 1.923 2.563 . 0 0 "[ . 1]" 1
536 1 45 VAL QG 1 118 LEU H 4.320 . 4.320 3.892 3.761 3.995 . 0 0 "[ . 1]" 1
537 1 45 VAL QG 1 118 LEU HB3 3.820 . 3.820 1.988 1.916 2.111 . 0 0 "[ . 1]" 1
538 1 45 VAL QG 1 118 LEU MD1 3.280 . 3.280 3.014 2.692 3.217 . 0 0 "[ . 1]" 1
539 1 45 VAL QG 1 118 LEU HG 3.290 . 3.290 3.012 2.620 3.361 0.071 4 0 "[ . 1]" 1
540 1 45 VAL QG 1 119 TYR HA 3.540 . 3.540 2.953 2.250 3.292 . 0 0 "[ . 1]" 1
541 1 45 VAL QG 1 119 TYR QB 3.320 . 3.320 2.356 2.088 2.798 . 0 0 "[ . 1]" 1
542 1 45 VAL QG 1 119 TYR QD 4.210 . 4.210 3.660 3.410 3.820 . 0 0 "[ . 1]" 1
543 1 45 VAL MG1 1 46 MET QG 5.500 . 5.500 3.627 3.026 4.140 . 0 0 "[ . 1]" 1
544 1 45 VAL MG1 1 119 TYR HB2 4.950 . 4.950 3.712 3.136 4.298 . 0 0 "[ . 1]" 1
545 1 45 VAL MG1 1 119 TYR HB3 4.950 . 4.950 4.653 4.133 5.249 0.299 3 0 "[ . 1]" 1
546 1 45 VAL MG2 1 46 MET QG 5.500 . 5.500 4.838 4.568 5.544 0.044 8 0 "[ . 1]" 1
547 1 45 VAL MG2 1 119 TYR HB2 4.950 . 4.950 2.427 2.131 2.902 . 0 0 "[ . 1]" 1
548 1 45 VAL MG2 1 119 TYR HB3 4.950 . 4.950 3.681 3.152 4.214 . 0 0 "[ . 1]" 1
549 1 46 MET H 1 46 MET HB2 3.540 . 3.540 2.426 2.090 2.746 . 0 0 "[ . 1]" 1
550 1 46 MET H 1 46 MET ME 3.660 . 3.660 3.388 2.975 3.701 0.041 5 0 "[ . 1]" 1
551 1 46 MET H 1 47 GLU H 3.720 . 3.720 2.600 2.481 2.703 . 0 0 "[ . 1]" 1
552 1 46 MET H 1 47 GLU QB 4.850 . 4.850 4.436 4.324 4.601 . 0 0 "[ . 1]" 1
553 1 46 MET H 1 49 VAL QG 4.660 . 4.660 4.475 3.967 4.715 0.055 4 0 "[ . 1]" 1
554 1 46 MET HA 1 46 MET ME 3.760 . 3.760 2.183 2.020 2.535 . 0 0 "[ . 1]" 1
555 1 46 MET HA 1 49 VAL H 4.620 . 4.620 3.532 3.399 3.735 . 0 0 "[ . 1]" 1
556 1 46 MET HA 1 49 VAL HB 3.940 . 3.940 3.281 2.743 4.095 0.155 6 0 "[ . 1]" 1
557 1 46 MET HA 1 49 VAL MG1 4.660 . 4.660 3.553 1.929 4.357 . 0 0 "[ . 1]" 1
558 1 46 MET HA 1 49 VAL QG 3.960 . 3.960 2.623 1.926 2.975 . 0 0 "[ . 1]" 1
559 1 46 MET HA 1 49 VAL MG2 4.660 . 4.660 3.376 2.879 4.343 . 0 0 "[ . 1]" 1
560 1 46 MET HA 1 67 ILE MD 5.500 . 5.500 5.202 4.703 5.608 0.108 1 0 "[ . 1]" 1
561 1 46 MET HB2 1 46 MET ME 3.950 . 3.950 3.812 3.464 4.030 0.080 2 0 "[ . 1]" 1
562 1 46 MET HB2 1 63 ILE MG 4.400 . 4.400 2.906 1.964 3.590 . 0 0 "[ . 1]" 1
563 1 46 MET HB3 1 60 TRP HH2 4.720 . 4.720 3.755 3.356 4.398 . 0 0 "[ . 1]" 1
564 1 46 MET HB3 1 63 ILE MG 3.780 . 3.780 2.240 1.937 2.723 . 0 0 "[ . 1]" 1
565 1 46 MET ME 1 46 MET QG . . 3.010 2.117 1.985 2.456 . 0 0 "[ . 1]" 1
566 1 46 MET ME 1 47 GLU H 4.940 . 4.940 4.903 4.751 5.013 0.073 6 0 "[ . 1]" 1
567 1 46 MET ME 1 60 TRP HH2 5.300 . 5.300 4.513 4.256 4.810 . 0 0 "[ . 1]" 1
568 1 46 MET ME 1 67 ILE MD 4.370 . 4.370 3.906 3.178 4.362 . 0 0 "[ . 1]" 1
569 1 46 MET ME 1 67 ILE MG 4.340 . 4.340 3.387 2.019 4.159 . 0 0 "[ . 1]" 1
570 1 46 MET ME 1 72 PHE QE 3.690 . 3.690 2.765 2.124 3.096 . 0 0 "[ . 1]" 1
571 1 46 MET ME 1 115 CYS HA 4.520 . 4.520 3.870 2.978 4.749 0.229 5 0 "[ . 1]" 1
572 1 46 MET ME 1 118 LEU HG 2.610 . 2.610 2.605 2.190 2.850 0.240 9 0 "[ . 1]" 1
573 1 46 MET QG 1 49 VAL QG 4.440 . 4.440 4.201 3.776 4.749 0.309 7 0 "[ . 1]" 1
574 1 46 MET QG 1 60 TRP HH2 4.420 . 4.420 1.992 1.854 2.337 . 0 0 "[ . 1]" 1
575 1 46 MET QG 1 63 ILE MG 4.080 . 4.080 3.349 2.813 3.972 . 0 0 "[ . 1]" 1
576 1 46 MET QG 1 67 ILE MD 4.030 . 4.030 2.973 2.314 3.765 . 0 0 "[ . 1]" 1
577 1 46 MET QG 1 67 ILE MG 4.460 . 4.460 3.248 2.132 4.136 . 0 0 "[ . 1]" 1
578 1 47 GLU H 1 47 GLU QB 3.470 . 3.470 2.276 2.119 2.396 . 0 0 "[ . 1]" 1
579 1 47 GLU H 1 48 ALA H 3.940 . 3.940 2.700 2.649 2.777 . 0 0 "[ . 1]" 1
580 1 47 GLU H 1 48 ALA MB 4.600 . 4.600 4.305 4.194 4.370 . 0 0 "[ . 1]" 1
581 1 47 GLU H 1 49 VAL H 4.760 . 4.760 4.218 4.047 4.427 . 0 0 "[ . 1]" 1
582 1 47 GLU H 1 49 VAL QG 4.890 . 4.890 4.590 3.805 4.963 0.073 8 0 "[ . 1]" 1
583 1 47 GLU HA 1 50 CYS HA 5.500 . 5.500 5.445 5.303 5.531 0.031 5 0 "[ . 1]" 1
584 1 47 GLU HA 1 50 CYS QB 4.680 . 4.680 2.804 2.705 2.916 . 0 0 "[ . 1]" 1
585 1 47 GLU HA 1 51 ALA H 4.780 . 4.780 4.478 4.372 4.595 . 0 0 "[ . 1]" 1
586 1 47 GLU HA 1 63 ILE MD 4.290 . 4.290 2.578 2.006 2.792 . 0 0 "[ . 1]" 1
587 1 47 GLU QB 1 48 ALA MB 4.870 . 4.870 3.845 3.735 4.165 . 0 0 "[ . 1]" 1
588 1 47 GLU QG 1 48 ALA H 5.010 . 5.010 3.833 2.664 4.206 . 0 0 "[ . 1]" 1
589 1 47 GLU QG 1 63 ILE MD 3.880 . 3.880 2.682 1.875 3.828 . 0 0 "[ . 1]" 1
590 1 47 GLU HG2 1 63 ILE MD 4.430 . 4.430 3.225 1.931 4.714 0.284 8 0 "[ . 1]" 1
591 1 47 GLU HG3 1 63 ILE MD 4.430 . 4.430 3.132 2.334 4.155 . 0 0 "[ . 1]" 1
592 1 48 ALA H 1 48 ALA MB 3.160 . 3.160 2.177 2.042 2.236 . 0 0 "[ . 1]" 1
593 1 48 ALA H 1 49 VAL H 3.780 . 3.780 2.781 2.727 2.851 . 0 0 "[ . 1]" 1
594 1 48 ALA H 1 49 VAL QG 4.430 . 4.430 4.051 3.619 4.270 . 0 0 "[ . 1]" 1
595 1 48 ALA H 1 63 ILE MD 5.500 . 5.500 5.369 4.839 5.638 0.138 5 0 "[ . 1]" 1
596 1 48 ALA H 1 93 MET ME 4.310 . 4.310 4.321 3.603 4.673 0.363 9 0 "[ . 1]" 1
597 1 48 ALA HA 1 93 MET ME 3.560 . 3.560 2.384 1.948 2.982 . 0 0 "[ . 1]" 1
598 1 48 ALA MB 1 49 VAL H 2.980 . 2.980 2.475 2.245 2.705 . 0 0 "[ . 1]" 1
599 1 48 ALA MB 1 52 ILE HB 4.670 . 4.670 4.656 4.432 4.791 0.121 5 0 "[ . 1]" 1
600 1 48 ALA MB 1 93 MET ME 3.050 . 3.050 2.321 1.773 2.936 . 0 0 "[ . 1]" 1
601 1 48 ALA MB 1 93 MET QG 5.250 . 5.250 4.043 3.193 4.985 . 0 0 "[ . 1]" 1
602 1 48 ALA MB 1 103 PHE QE 3.970 . 3.970 3.537 2.948 3.897 . 0 0 "[ . 1]" 1
603 1 48 ALA MB 1 103 PHE HZ 4.260 . 4.260 3.158 2.393 3.695 . 0 0 "[ . 1]" 1
604 1 48 ALA MB 1 119 TYR HA 4.590 . 4.590 4.301 3.786 4.606 0.016 2 0 "[ . 1]" 1
605 1 48 ALA MB 1 122 VAL QG 3.440 . 3.440 2.067 1.835 2.491 . 0 0 "[ . 1]" 1
606 1 49 VAL H 1 49 VAL MG1 4.340 . 4.340 3.166 1.825 3.737 . 0 0 "[ . 1]" 1
607 1 49 VAL H 1 49 VAL QG 3.650 . 3.650 2.096 1.821 2.238 . 0 0 "[ . 1]" 1
608 1 49 VAL H 1 49 VAL MG2 4.340 . 4.340 2.668 2.154 3.727 . 0 0 "[ . 1]" 1
609 1 49 VAL H 1 50 CYS H 3.890 . 3.890 2.692 2.656 2.758 . 0 0 "[ . 1]" 1
610 1 49 VAL H 1 118 LEU MD1 4.700 . 4.700 4.503 4.247 4.733 0.033 1 0 "[ . 1]" 1
611 1 49 VAL H 1 121 TRP HH2 5.500 . 5.500 5.329 5.105 5.601 0.101 8 0 "[ . 1]" 1
612 1 49 VAL H 1 122 VAL QG 4.120 . 4.120 3.783 3.275 4.266 0.146 9 0 "[ . 1]" 1
613 1 49 VAL HA 1 49 VAL MG1 3.570 . 3.570 2.642 2.379 3.196 . 0 0 "[ . 1]" 1
614 1 49 VAL HA 1 49 VAL MG2 3.570 . 3.570 2.340 2.298 2.402 . 0 0 "[ . 1]" 1
615 1 49 VAL HA 1 52 ILE H 3.890 . 3.890 3.535 3.304 3.716 . 0 0 "[ . 1]" 1
616 1 49 VAL HA 1 52 ILE HB 4.620 . 4.620 2.919 2.589 3.245 . 0 0 "[ . 1]" 1
617 1 49 VAL HA 1 52 ILE MG 3.660 . 3.660 3.050 2.910 3.220 . 0 0 "[ . 1]" 1
618 1 49 VAL HA 1 53 LEU H 4.250 . 4.250 4.369 4.277 4.481 0.231 1 0 "[ . 1]" 1
619 1 49 VAL HA 1 76 ILE HA 5.500 . 5.500 5.809 5.687 6.030 0.530 2 1 "[ + . 1]" 1
620 1 49 VAL HA 1 118 LEU MD1 4.700 . 4.700 4.211 4.037 4.421 . 0 0 "[ . 1]" 1
621 1 49 VAL HA 1 121 TRP HH2 4.490 . 4.490 2.613 2.388 2.848 . 0 0 "[ . 1]" 1
622 1 49 VAL HA 1 121 TRP HZ2 5.220 . 5.220 5.056 4.821 5.303 0.083 8 0 "[ . 1]" 1
623 1 49 VAL HA 1 121 TRP HZ3 4.230 . 4.230 2.385 1.985 2.716 . 0 0 "[ . 1]" 1
624 1 49 VAL HA 1 122 VAL QG 3.770 . 3.770 3.308 2.929 3.926 0.156 9 0 "[ . 1]" 1
625 1 49 VAL QG 1 52 ILE MG 4.080 . 4.080 2.939 2.755 3.233 . 0 0 "[ . 1]" 1
626 1 49 VAL QG 1 53 LEU H 4.460 . 4.460 4.014 3.894 4.149 . 0 0 "[ . 1]" 1
627 1 49 VAL QG 1 76 ILE HA 4.820 . 4.820 3.538 3.483 3.626 . 0 0 "[ . 1]" 1
628 1 49 VAL QG 1 76 ILE MD 3.180 . 3.180 1.901 1.785 2.041 . 0 0 "[ . 1]" 1
629 1 49 VAL QG 1 76 ILE MG 4.380 . 4.380 2.844 2.701 3.000 . 0 0 "[ . 1]" 1
630 1 49 VAL QG 1 118 LEU MD1 2.840 . 2.840 2.129 1.756 2.692 . 0 0 "[ . 1]" 1
631 1 49 VAL QG 1 121 TRP HE3 3.960 . 3.960 3.527 3.105 4.115 0.155 2 0 "[ . 1]" 1
632 1 49 VAL QG 1 121 TRP HH2 3.770 . 3.770 2.515 1.953 2.828 . 0 0 "[ . 1]" 1
633 1 49 VAL QG 1 121 TRP HZ2 4.700 . 4.700 4.110 3.826 4.379 . 0 0 "[ . 1]" 1
634 1 49 VAL MG1 1 72 PHE QE 4.250 . 4.250 2.591 2.131 2.970 . 0 0 "[ . 1]" 1
635 1 49 VAL MG1 1 76 ILE MD 3.700 . 3.700 2.327 1.943 3.196 . 0 0 "[ . 1]" 1
636 1 49 VAL MG1 1 118 LEU MD1 3.430 . 3.430 3.258 3.019 3.641 0.211 1 0 "[ . 1]" 1
637 1 49 VAL MG1 1 121 TRP HH2 4.310 . 4.310 3.431 2.677 4.615 0.305 2 0 "[ . 1]" 1
638 1 49 VAL MG2 1 72 PHE QE 4.250 . 4.250 3.308 2.909 3.538 . 0 0 "[ . 1]" 1
639 1 49 VAL MG2 1 76 ILE MD 3.700 . 3.700 2.233 1.952 2.671 . 0 0 "[ . 1]" 1
640 1 49 VAL MG2 1 118 LEU MD1 3.430 . 3.430 2.190 1.768 2.874 . 0 0 "[ . 1]" 1
641 1 49 VAL MG2 1 121 TRP HH2 4.310 . 4.310 2.861 1.956 3.391 . 0 0 "[ . 1]" 1
642 1 50 CYS H 1 50 CYS QB 3.580 . 3.580 2.307 2.099 2.383 . 0 0 "[ . 1]" 1
643 1 50 CYS H 1 51 ALA HA 5.450 . 5.450 5.277 5.217 5.344 . 0 0 "[ . 1]" 1
644 1 50 CYS H 1 51 ALA MB 4.600 . 4.600 4.276 4.207 4.366 . 0 0 "[ . 1]" 1
645 1 50 CYS H 1 52 ILE MG 4.830 . 4.830 5.004 4.852 5.146 0.316 8 0 "[ . 1]" 1
646 1 50 CYS HA 1 53 LEU H 4.310 . 4.310 3.617 3.557 3.693 . 0 0 "[ . 1]" 1
647 1 50 CYS HA 1 53 LEU QB 4.530 . 4.530 2.949 2.757 3.110 . 0 0 "[ . 1]" 1
648 1 50 CYS HA 1 53 LEU HG 4.390 . 4.390 3.826 3.542 4.102 . 0 0 "[ . 1]" 1
649 1 50 CYS HA 1 55 TYR QB 4.390 . 4.390 3.509 3.334 3.783 . 0 0 "[ . 1]" 1
650 1 50 CYS HA 1 55 TYR QD 3.990 . 3.990 2.499 1.945 3.407 . 0 0 "[ . 1]" 1
651 1 50 CYS QB 1 51 ALA H 3.560 . 3.560 2.696 2.486 3.381 . 0 0 "[ . 1]" 1
652 1 50 CYS QB 1 51 ALA MB 4.880 . 4.880 3.900 3.725 4.569 . 0 0 "[ . 1]" 1
653 1 50 CYS QB 1 55 TYR QB 5.180 . 5.180 2.395 1.979 3.312 . 0 0 "[ . 1]" 1
654 1 50 CYS QB 1 55 TYR QD 4.550 . 4.550 3.048 2.320 3.791 . 0 0 "[ . 1]" 1
655 1 50 CYS HB2 1 55 TYR QD 5.220 . 5.220 4.189 3.760 4.805 . 0 0 "[ . 1]" 1
656 1 50 CYS HB3 1 55 TYR QD 5.220 . 5.220 3.283 2.342 5.209 . 0 0 "[ . 1]" 1
657 1 51 ALA H 1 52 ILE MG 4.380 . 4.380 4.801 4.650 4.957 0.577 1 2 "[+ . -1]" 1
658 1 51 ALA MB 1 52 ILE H 3.590 . 3.590 2.476 2.193 2.606 . 0 0 "[ . 1]" 1
659 1 51 ALA MB 1 52 ILE HA 4.450 . 4.450 3.691 3.657 3.735 . 0 0 "[ . 1]" 1
660 1 51 ALA MB 1 52 ILE HB 4.570 . 4.570 3.999 3.789 4.092 . 0 0 "[ . 1]" 1
661 1 51 ALA MB 1 89 ILE MG 3.280 . 3.280 3.138 2.275 3.885 0.605 7 1 "[ . + 1]" 1
662 1 51 ALA MB 1 92 TYR QD 3.810 . 3.810 3.103 1.945 4.049 0.239 9 0 "[ . 1]" 1
663 1 51 ALA MB 1 92 TYR QE 4.350 . 4.350 3.134 2.117 4.655 0.305 7 0 "[ . 1]" 1
664 1 51 ALA MB 1 93 MET H 5.500 . 5.500 4.915 4.140 5.648 0.148 9 0 "[ . 1]" 1
665 1 52 ILE H 1 52 ILE HB 4.200 . 4.200 2.113 2.085 2.180 . 0 0 "[ . 1]" 1
666 1 52 ILE H 1 52 ILE MD 4.510 . 4.510 3.602 2.990 4.234 . 0 0 "[ . 1]" 1
667 1 52 ILE H 1 52 ILE HG12 4.890 . 4.890 4.560 4.473 4.648 . 0 0 "[ . 1]" 1
668 1 52 ILE H 1 52 ILE QG 4.290 . 4.290 3.757 3.567 3.928 . 0 0 "[ . 1]" 1
669 1 52 ILE H 1 52 ILE HG13 4.890 . 4.890 4.013 3.740 4.338 . 0 0 "[ . 1]" 1
670 1 52 ILE H 1 52 ILE MG 3.810 . 3.810 3.075 2.912 3.225 . 0 0 "[ . 1]" 1
671 1 52 ILE H 1 53 LEU H 3.750 . 3.750 2.773 2.731 2.799 . 0 0 "[ . 1]" 1
672 1 52 ILE HA 1 52 ILE MD 3.970 . 3.970 3.117 2.058 3.715 . 0 0 "[ . 1]" 1
673 1 52 ILE HA 1 52 ILE HG12 3.960 . 3.960 3.068 2.550 3.510 . 0 0 "[ . 1]" 1
674 1 52 ILE HA 1 52 ILE QG 3.460 . 3.460 2.098 1.978 2.295 . 0 0 "[ . 1]" 1
675 1 52 ILE HA 1 52 ILE HG13 3.960 . 3.960 2.153 2.008 2.382 . 0 0 "[ . 1]" 1
676 1 52 ILE HA 1 89 ILE MD 4.310 . 4.310 3.216 2.228 3.851 . 0 0 "[ . 1]" 1
677 1 52 ILE HA 1 89 ILE MG 3.790 . 3.790 3.404 2.359 4.278 0.488 7 0 "[ . 1]" 1
678 1 52 ILE HB 1 89 ILE MG 4.930 . 4.930 4.460 3.996 5.030 0.100 10 0 "[ . 1]" 1
679 1 52 ILE HB 1 121 TRP HZ2 5.480 . 5.480 4.636 4.215 5.064 . 0 0 "[ . 1]" 1
680 1 52 ILE MD 1 121 TRP HE3 5.500 . 5.500 4.679 4.316 5.430 . 0 0 "[ . 1]" 1
681 1 52 ILE MD 1 121 TRP HH2 4.770 . 4.770 2.961 2.415 3.760 . 0 0 "[ . 1]" 1
682 1 52 ILE MD 1 121 TRP HZ2 4.160 . 4.160 3.398 2.140 4.407 0.247 9 0 "[ . 1]" 1
683 1 52 ILE MD 1 122 VAL HA 3.700 . 3.700 2.860 2.555 3.203 . 0 0 "[ . 1]" 1
684 1 52 ILE MD 1 122 VAL QG 3.470 . 3.470 2.107 1.803 2.421 . 0 0 "[ . 1]" 1
685 1 52 ILE MD 1 125 GLN QB 3.730 . 3.730 2.501 1.894 3.704 . 0 0 "[ . 1]" 1
686 1 52 ILE QG 1 121 TRP HZ2 5.340 . 5.340 3.697 2.609 4.530 . 0 0 "[ . 1]" 1
687 1 52 ILE QG 1 125 GLN QG 4.450 . 4.450 3.203 2.126 4.481 0.031 8 0 "[ . 1]" 1
688 1 52 ILE MG 1 53 LEU H 4.030 . 4.030 2.064 1.938 2.166 . 0 0 "[ . 1]" 1
689 1 52 ILE MG 1 79 TYR H 5.500 . 5.500 5.607 5.151 5.929 0.429 8 0 "[ . 1]" 1
690 1 52 ILE MG 1 79 TYR QB 4.530 . 4.530 3.198 2.835 3.559 . 0 0 "[ . 1]" 1
691 1 52 ILE MG 1 79 TYR QD 4.060 . 4.060 3.104 2.479 3.642 . 0 0 "[ . 1]" 1
692 1 52 ILE MG 1 79 TYR QE 4.340 . 4.340 3.866 3.443 4.401 0.061 6 0 "[ . 1]" 1
693 1 52 ILE MG 1 121 TRP HE1 4.570 . 4.570 4.891 4.760 5.067 0.497 8 0 "[ . 1]" 1
694 1 52 ILE MG 1 121 TRP HH2 3.820 . 3.820 1.780 1.708 1.856 . 0 0 "[ . 1]" 1
695 1 52 ILE MG 1 122 VAL QG 4.290 . 4.290 3.863 3.493 4.263 . 0 0 "[ . 1]" 1
696 1 53 LEU H 1 89 ILE MD 5.470 . 5.470 5.345 5.009 5.703 0.233 4 0 "[ . 1]" 1
697 1 53 LEU HA 1 53 LEU QD 3.510 . 3.510 2.018 2.005 2.029 . 0 0 "[ . 1]" 1
698 1 53 LEU HA 1 55 TYR QE 5.500 . 5.500 4.935 4.480 5.322 . 0 0 "[ . 1]" 1
699 1 53 LEU QB 1 54 GLY H 3.920 . 3.920 3.046 2.920 3.231 . 0 0 "[ . 1]" 1
700 1 53 LEU QB 1 55 TYR QE 3.750 . 3.750 2.328 2.124 2.603 . 0 0 "[ . 1]" 1
701 1 53 LEU QD 1 54 GLY H 4.850 . 4.850 4.270 4.238 4.339 . 0 0 "[ . 1]" 1
702 1 53 LEU QD 1 55 TYR QE 3.750 . 3.750 2.563 1.827 3.159 . 0 0 "[ . 1]" 1
703 1 53 LEU QD 1 75 ASN QB 3.670 . 3.670 2.374 1.979 3.019 . 0 0 "[ . 1]" 1
704 1 53 LEU QD 1 76 ILE HA 3.990 . 3.990 3.145 2.867 3.521 . 0 0 "[ . 1]" 1
705 1 53 LEU QD 1 76 ILE QG 4.840 . 4.840 2.943 2.673 3.243 . 0 0 "[ . 1]" 1
706 1 53 LEU QD 1 79 TYR H 4.380 . 4.380 4.428 4.166 4.609 0.229 8 0 "[ . 1]" 1
707 1 53 LEU QD 1 79 TYR HA 5.110 . 5.110 3.657 3.534 3.900 . 0 0 "[ . 1]" 1
708 1 53 LEU QD 1 79 TYR QD 4.020 . 4.020 3.404 2.717 4.105 0.085 6 0 "[ . 1]" 1
709 1 53 LEU QD 1 121 TRP HH2 4.390 . 4.390 4.037 3.783 4.356 . 0 0 "[ . 1]" 1
710 1 53 LEU QD 1 121 TRP HZ2 4.470 . 4.470 4.312 4.044 4.539 0.069 3 0 "[ . 1]" 1
711 1 53 LEU MD1 1 55 TYR QE 4.460 . 4.460 2.604 1.833 3.313 . 0 0 "[ . 1]" 1
712 1 53 LEU MD1 1 121 TRP HH2 5.210 . 5.210 4.729 4.397 5.131 . 0 0 "[ . 1]" 1
713 1 53 LEU MD1 1 121 TRP HZ2 5.500 . 5.500 5.705 5.451 5.949 0.449 1 0 "[ . 1]" 1
714 1 53 LEU MD2 1 55 TYR QE 4.460 . 4.460 4.064 3.550 4.465 0.005 9 0 "[ . 1]" 1
715 1 53 LEU MD2 1 121 TRP HH2 5.210 . 5.210 4.389 4.060 4.751 . 0 0 "[ . 1]" 1
716 1 53 LEU MD2 1 121 TRP HZ2 5.500 . 5.500 4.465 4.161 4.762 . 0 0 "[ . 1]" 1
717 1 53 LEU HG 1 75 ASN QB 5.320 . 5.320 4.793 4.261 5.403 0.083 8 0 "[ . 1]" 1
718 1 53 LEU HG 1 76 ILE MD 5.340 . 5.340 5.577 5.453 5.702 0.362 8 0 "[ . 1]" 1
719 1 53 LEU HG 1 76 ILE QG 5.190 . 5.190 4.234 4.095 4.415 . 0 0 "[ . 1]" 1
720 1 53 LEU HG 1 76 ILE MG 5.500 . 5.500 5.483 5.049 5.679 0.179 8 0 "[ . 1]" 1
721 1 53 LEU HG 1 121 TRP HH2 4.730 . 4.730 4.012 3.730 4.315 . 0 0 "[ . 1]" 1
722 1 54 GLY H 1 55 TYR H 3.400 . 3.400 2.317 2.173 2.431 . 0 0 "[ . 1]" 1
723 1 54 GLY H 1 55 TYR QD 4.650 . 4.650 3.793 3.027 4.150 . 0 0 "[ . 1]" 1
724 1 55 TYR H 1 55 TYR HB2 3.940 . 3.940 2.558 2.347 2.637 . 0 0 "[ . 1]" 1
725 1 55 TYR H 1 55 TYR QB 3.380 . 3.380 2.516 2.318 2.588 . 0 0 "[ . 1]" 1
726 1 55 TYR H 1 55 TYR HB3 3.940 . 3.940 3.724 3.603 3.755 . 0 0 "[ . 1]" 1
727 1 55 TYR HA 1 55 TYR QD 3.450 . 3.450 2.376 2.028 2.989 . 0 0 "[ . 1]" 1
728 1 55 TYR HA 1 55 TYR QE 4.540 . 4.540 4.336 4.233 4.524 . 0 0 "[ . 1]" 1
729 1 56 GLN H 1 56 GLN QG 3.410 . 3.410 2.380 1.969 3.284 . 0 0 "[ . 1]" 1
730 1 56 GLN HA 1 56 GLN HG2 3.940 . 3.940 2.681 2.418 3.563 . 0 0 "[ . 1]" 1
731 1 56 GLN HA 1 56 GLN QG 3.360 . 3.360 2.456 2.280 3.357 . 0 0 "[ . 1]" 1
732 1 56 GLN HA 1 56 GLN HG3 3.940 . 3.940 3.115 2.307 4.196 0.256 9 0 "[ . 1]" 1
733 1 56 GLN QB 1 57 PHE H 4.170 . 4.170 1.820 1.757 2.026 . 0 0 "[ . 1]" 1
734 1 57 PHE HA 1 57 PHE QD 3.910 . 3.910 3.214 2.494 3.721 . 0 0 "[ . 1]" 1
735 1 58 SER H 1 59 ASN H 4.560 . 4.560 4.397 4.290 4.431 . 0 0 "[ . 1]" 1
736 1 58 SER HA 1 59 ASN H 3.300 . 3.300 2.402 2.188 2.509 . 0 0 "[ . 1]" 1
737 1 58 SER HA 1 62 ASP H 5.500 . 5.500 5.802 5.598 5.936 0.436 4 0 "[ . 1]" 1
738 1 58 SER QB 1 59 ASN H 4.060 . 4.060 2.861 2.304 3.345 . 0 0 "[ . 1]" 1
739 1 59 ASN H 1 59 ASN QB 3.510 . 3.510 2.625 2.273 3.055 . 0 0 "[ . 1]" 1
740 1 59 ASN H 1 61 ARG HB3 5.290 . 5.290 5.317 5.090 5.495 0.205 8 0 "[ . 1]" 1
741 1 59 ASN H 1 62 ASP H 4.210 . 4.210 3.640 3.452 3.985 . 0 0 "[ . 1]" 1
742 1 59 ASN H 1 62 ASP HA 5.270 . 5.270 5.262 4.854 5.676 0.406 8 0 "[ . 1]" 1
743 1 59 ASN H 1 62 ASP QB 4.330 . 4.330 2.361 1.844 3.178 . 0 0 "[ . 1]" 1
744 1 59 ASN H 1 63 ILE H 3.960 . 3.960 3.843 3.424 4.014 0.054 1 0 "[ . 1]" 1
745 1 59 ASN H 1 63 ILE HB 5.500 . 5.500 5.281 3.688 5.602 0.102 9 0 "[ . 1]" 1
746 1 59 ASN QB 1 62 ASP H 4.140 . 4.140 2.978 2.634 3.984 . 0 0 "[ . 1]" 1
747 1 60 TRP HA 1 63 ILE H 4.100 . 4.100 3.493 3.325 3.613 . 0 0 "[ . 1]" 1
748 1 60 TRP HA 1 63 ILE HB 4.020 . 4.020 2.321 2.003 2.584 . 0 0 "[ . 1]" 1
749 1 60 TRP HA 1 63 ILE MD 4.270 . 4.270 2.309 2.018 2.791 . 0 0 "[ . 1]" 1
750 1 60 TRP HA 1 63 ILE MG 4.820 . 4.820 3.625 3.000 3.910 . 0 0 "[ . 1]" 1
751 1 60 TRP QB 1 60 TRP HD1 3.340 . 3.340 2.486 2.483 2.493 . 0 0 "[ . 1]" 1
752 1 60 TRP QB 1 61 ARG H 4.170 . 4.170 2.568 2.416 2.735 . 0 0 "[ . 1]" 1
753 1 60 TRP QB 1 63 ILE MD 4.250 . 4.250 3.871 3.593 4.115 . 0 0 "[ . 1]" 1
754 1 60 TRP HH2 1 63 ILE MD 5.500 . 5.500 5.168 4.601 5.478 . 0 0 "[ . 1]" 1
755 1 60 TRP HH2 1 63 ILE MG 4.850 . 4.850 3.995 3.673 4.262 . 0 0 "[ . 1]" 1
756 1 60 TRP HH2 1 67 ILE MD 4.400 . 4.400 3.697 2.924 4.396 . 0 0 "[ . 1]" 1
757 1 60 TRP HZ3 1 63 ILE MG 4.390 . 4.390 2.841 2.356 3.186 . 0 0 "[ . 1]" 1
758 1 60 TRP HZ3 1 67 ILE MD 4.820 . 4.820 4.555 3.828 4.885 0.065 2 0 "[ . 1]" 1
759 1 61 ARG H 1 61 ARG HB3 3.190 . 3.190 2.815 2.564 3.082 . 0 0 "[ . 1]" 1
760 1 61 ARG H 1 62 ASP H 3.870 . 3.870 2.975 2.797 3.076 . 0 0 "[ . 1]" 1
761 1 61 ARG H 1 63 ILE H 3.910 . 3.910 3.997 3.693 4.088 0.178 4 0 "[ . 1]" 1
762 1 61 ARG HA 1 61 ARG QD 3.530 . 3.530 2.876 2.053 3.815 0.285 2 0 "[ . 1]" 1
763 1 61 ARG HA 1 61 ARG QG 3.470 . 3.470 2.332 2.075 2.722 . 0 0 "[ . 1]" 1
764 1 61 ARG HA 1 64 GLN QB 4.530 . 4.530 2.779 2.383 4.193 . 0 0 "[ . 1]" 1
765 1 61 ARG HA 1 64 GLN QG 4.170 . 4.170 4.101 2.513 4.450 0.280 2 0 "[ . 1]" 1
766 1 61 ARG HB2 1 63 ILE H 5.500 . 5.500 5.390 5.133 5.591 0.091 2 0 "[ . 1]" 1
767 1 61 ARG HB3 1 62 ASP H 3.790 . 3.790 2.105 1.942 2.359 . 0 0 "[ . 1]" 1
768 1 61 ARG HB3 1 62 ASP QB 4.150 . 4.150 4.152 3.453 4.342 0.192 6 0 "[ . 1]" 1
769 1 61 ARG QD 1 65 GLN QG 4.680 . 4.680 4.068 2.681 4.745 0.065 1 0 "[ . 1]" 1
770 1 61 ARG QG 1 65 GLN QG 4.220 . 4.220 3.254 2.836 3.621 . 0 0 "[ . 1]" 1
771 1 62 ASP H 1 63 ILE H 3.930 . 3.930 2.739 2.552 2.850 . 0 0 "[ . 1]" 1
772 1 62 ASP H 1 63 ILE HG13 4.450 . 4.450 4.560 4.443 4.653 0.203 2 0 "[ . 1]" 1
773 1 62 ASP H 1 65 GLN H 5.310 . 5.310 4.914 4.824 5.050 . 0 0 "[ . 1]" 1
774 1 62 ASP HA 1 65 GLN QB 3.990 . 3.990 2.960 2.640 3.119 . 0 0 "[ . 1]" 1
775 1 62 ASP HA 1 65 GLN QG 4.200 . 4.200 3.260 2.509 3.806 . 0 0 "[ . 1]" 1
776 1 62 ASP QB 1 63 ILE H 3.860 . 3.860 2.639 2.503 3.069 . 0 0 "[ . 1]" 1
777 1 62 ASP HB2 1 63 ILE H 4.560 . 4.560 2.811 2.558 4.140 . 0 0 "[ . 1]" 1
778 1 62 ASP HB3 1 63 ILE H 4.560 . 4.560 3.516 3.164 3.636 . 0 0 "[ . 1]" 1
779 1 63 ILE H 1 63 ILE HB 3.490 . 3.490 2.400 2.243 2.444 . 0 0 "[ . 1]" 1
780 1 63 ILE H 1 63 ILE MD 4.620 . 4.620 3.467 3.396 3.624 . 0 0 "[ . 1]" 1
781 1 63 ILE H 1 63 ILE HG12 4.880 . 4.880 3.687 3.563 3.978 . 0 0 "[ . 1]" 1
782 1 63 ILE H 1 64 GLN QB 5.110 . 5.110 4.372 4.235 4.660 . 0 0 "[ . 1]" 1
783 1 63 ILE H 1 65 GLN H 4.550 . 4.550 4.151 3.661 4.299 . 0 0 "[ . 1]" 1
784 1 63 ILE HA 1 63 ILE MG 3.690 . 3.690 2.403 2.365 2.531 . 0 0 "[ . 1]" 1
785 1 63 ILE HA 1 66 PHE QB 4.310 . 4.310 2.772 2.528 3.390 . 0 0 "[ . 1]" 1
786 1 63 ILE HA 1 66 PHE QD 4.660 . 4.660 3.515 1.969 4.403 . 0 0 "[ . 1]" 1
787 1 64 GLN HA 1 64 GLN QG 3.740 . 3.740 2.549 2.204 3.170 . 0 0 "[ . 1]" 1
788 1 64 GLN HA 1 67 ILE HB 5.070 . 5.070 4.726 4.544 4.846 . 0 0 "[ . 1]" 1
789 1 64 GLN HA 1 67 ILE MD 3.730 . 3.730 2.237 2.085 2.744 . 0 0 "[ . 1]" 1
790 1 64 GLN HA 1 67 ILE HG12 4.180 . 4.180 2.153 2.017 2.845 . 0 0 "[ . 1]" 1
791 1 64 GLN HA 1 67 ILE QG 3.670 . 3.670 1.982 1.798 2.072 . 0 0 "[ . 1]" 1
792 1 64 GLN HA 1 67 ILE HG13 4.180 . 4.180 2.850 1.817 3.170 . 0 0 "[ . 1]" 1
793 1 64 GLN QB 1 67 ILE MD 4.020 . 4.020 3.530 3.329 3.916 . 0 0 "[ . 1]" 1
794 1 64 GLN QB 1 67 ILE QG 4.220 . 4.220 3.816 3.517 3.952 . 0 0 "[ . 1]" 1
795 1 64 GLN QG 1 65 GLN QG 4.590 . 4.590 3.745 2.433 4.796 0.206 9 0 "[ . 1]" 1
796 1 64 GLN QG 1 66 PHE H 5.030 . 5.030 5.066 4.485 5.588 0.558 9 1 "[ . +1]" 1
797 1 64 GLN QG 1 67 ILE MD 4.620 . 4.620 3.266 2.568 4.840 0.220 8 0 "[ . 1]" 1
798 1 64 GLN QG 1 67 ILE QG 4.550 . 4.550 3.395 3.060 4.309 . 0 0 "[ . 1]" 1
799 1 65 GLN H 1 65 GLN QG 3.380 . 3.380 2.206 1.952 2.421 . 0 0 "[ . 1]" 1
800 1 65 GLN HA 1 65 GLN HG2 4.010 . 4.010 2.790 2.452 2.968 . 0 0 "[ . 1]" 1
801 1 65 GLN HA 1 65 GLN HG3 4.010 . 4.010 3.510 2.843 3.734 . 0 0 "[ . 1]" 1
802 1 65 GLN HA 1 67 ILE H 5.440 . 5.440 4.852 4.306 5.022 . 0 0 "[ . 1]" 1
803 1 65 GLN HA 1 68 ARG QB 3.800 . 3.800 2.594 2.330 3.771 . 0 0 "[ . 1]" 1
804 1 65 GLN QG 1 66 PHE H 4.840 . 4.840 4.085 3.922 4.147 . 0 0 "[ . 1]" 1
805 1 66 PHE H 1 66 PHE QB 3.230 . 3.230 2.229 2.051 2.507 . 0 0 "[ . 1]" 1
806 1 66 PHE H 1 67 ILE H 3.800 . 3.800 2.750 2.455 2.919 . 0 0 "[ . 1]" 1
807 1 66 PHE H 1 67 ILE QG 4.350 . 4.350 3.858 3.765 4.121 . 0 0 "[ . 1]" 1
808 1 66 PHE H 1 67 ILE MG 4.420 . 4.420 4.190 3.938 4.339 . 0 0 "[ . 1]" 1
809 1 66 PHE HA 1 66 PHE QD 3.860 . 3.860 2.511 1.919 2.952 . 0 0 "[ . 1]" 1
810 1 66 PHE HA 1 67 ILE MG 5.090 . 5.090 4.848 4.410 4.980 . 0 0 "[ . 1]" 1
811 1 66 PHE QB 1 67 ILE H 3.670 . 3.670 2.354 2.111 2.747 . 0 0 "[ . 1]" 1
812 1 67 ILE H 1 68 ARG H 4.020 . 4.020 2.744 2.576 2.985 . 0 0 "[ . 1]" 1
813 1 67 ILE H 1 68 ARG HA 5.500 . 5.500 5.161 4.533 5.326 . 0 0 "[ . 1]" 1
814 1 67 ILE H 1 69 LYS H 4.450 . 4.450 4.418 4.125 5.201 0.751 8 2 "[ . +-1]" 1
815 1 67 ILE H 1 72 PHE QD 4.850 . 4.850 4.361 4.106 4.831 . 0 0 "[ . 1]" 1
816 1 67 ILE HA 1 67 ILE MD 4.240 . 4.240 4.062 3.798 4.130 . 0 0 "[ . 1]" 1
817 1 67 ILE HA 1 67 ILE MG 3.470 . 3.470 2.337 2.293 2.406 . 0 0 "[ . 1]" 1
818 1 67 ILE HA 1 69 LYS H 3.760 . 3.760 3.779 3.257 4.137 0.377 4 0 "[ . 1]" 1
819 1 67 ILE HA 1 72 PHE HA 5.080 . 5.080 3.442 2.876 3.825 . 0 0 "[ . 1]" 1
820 1 67 ILE HA 1 72 PHE HB2 4.690 . 4.690 2.271 2.000 2.581 . 0 0 "[ . 1]" 1
821 1 67 ILE HA 1 72 PHE QD 4.110 . 4.110 2.226 1.984 2.803 . 0 0 "[ . 1]" 1
822 1 67 ILE HB 1 68 ARG H 4.420 . 4.420 3.977 3.782 4.516 0.096 9 0 "[ . 1]" 1
823 1 67 ILE HB 1 72 PHE QD 5.170 . 5.170 3.318 2.427 3.633 . 0 0 "[ . 1]" 1
824 1 67 ILE HB 1 72 PHE QE 5.500 . 5.500 3.698 3.431 3.916 . 0 0 "[ . 1]" 1
825 1 67 ILE MD 1 72 PHE QE 4.340 . 4.340 4.336 3.785 4.617 0.277 7 0 "[ . 1]" 1
826 1 67 ILE QG 1 72 PHE QD 4.420 . 4.420 4.615 4.166 4.830 0.410 9 0 "[ . 1]" 1
827 1 67 ILE MG 1 68 ARG H 4.250 . 4.250 3.952 3.822 4.300 0.050 9 0 "[ . 1]" 1
828 1 67 ILE MG 1 72 PHE QD 3.630 . 3.630 2.342 1.863 2.722 . 0 0 "[ . 1]" 1
829 1 67 ILE MG 1 72 PHE QE 3.540 . 3.540 2.199 2.056 2.381 . 0 0 "[ . 1]" 1
830 1 68 ARG H 1 68 ARG QB 3.120 . 3.120 2.220 2.072 2.359 . 0 0 "[ . 1]" 1
831 1 68 ARG H 1 72 PHE QD 5.290 . 5.290 5.363 5.080 5.508 0.218 3 0 "[ . 1]" 1
832 1 68 ARG HA 1 68 ARG HG2 4.130 . 4.130 2.739 2.011 3.890 . 0 0 "[ . 1]" 1
833 1 68 ARG HA 1 68 ARG QG 3.580 . 3.580 2.377 1.983 3.159 . 0 0 "[ . 1]" 1
834 1 68 ARG HA 1 68 ARG HG3 4.130 . 4.130 2.952 2.375 3.478 . 0 0 "[ . 1]" 1
835 1 68 ARG QB 1 68 ARG QD 2.940 . 2.940 2.158 1.970 2.392 . 0 0 "[ . 1]" 1
836 1 68 ARG QB 1 69 LYS H 3.100 . 3.100 2.797 2.491 3.651 0.551 9 1 "[ . +1]" 1
837 1 70 ASP HA 1 72 PHE H 4.570 . 4.570 3.500 3.275 4.332 . 0 0 "[ . 1]" 1
838 1 71 ASP H 1 71 ASP QB 3.480 . 3.480 2.447 2.326 2.663 . 0 0 "[ . 1]" 1
839 1 71 ASP H 1 72 PHE H 3.920 . 3.920 2.587 2.450 2.715 . 0 0 "[ . 1]" 1
840 1 71 ASP H 1 72 PHE HA 4.840 . 4.840 4.688 4.410 4.935 0.095 5 0 "[ . 1]" 1
841 1 71 ASP HA 1 74 HIS HB2 4.620 . 4.620 2.290 2.008 2.666 . 0 0 "[ . 1]" 1
842 1 71 ASP HA 1 74 HIS QB 3.800 . 3.800 2.099 1.998 2.382 . 0 0 "[ . 1]" 1
843 1 71 ASP HA 1 74 HIS HB3 4.620 . 4.620 3.120 2.110 3.949 . 0 0 "[ . 1]" 1
844 1 71 ASP QB 1 74 HIS H 4.450 . 4.450 4.194 3.830 4.554 0.104 5 0 "[ . 1]" 1
845 1 71 ASP QB 1 74 HIS QB 4.130 . 4.130 2.606 2.001 3.256 . 0 0 "[ . 1]" 1
846 1 71 ASP QB 1 75 ASN H 4.210 . 4.210 3.476 3.097 4.013 . 0 0 "[ . 1]" 1
847 1 72 PHE H 1 72 PHE HB3 3.460 . 3.460 2.407 2.343 2.476 . 0 0 "[ . 1]" 1
848 1 72 PHE H 1 73 ILE H 3.900 . 3.900 2.820 2.733 2.970 . 0 0 "[ . 1]" 1
849 1 72 PHE HA 1 72 PHE QD 3.730 . 3.730 2.412 2.109 2.618 . 0 0 "[ . 1]" 1
850 1 72 PHE HA 1 72 PHE QE 4.840 . 4.840 4.517 4.397 4.595 . 0 0 "[ . 1]" 1
851 1 72 PHE HB3 1 73 ILE HA 5.100 . 5.100 4.498 4.404 4.572 . 0 0 "[ . 1]" 1
852 1 72 PHE HB3 1 73 ILE MD 4.600 . 4.600 3.897 3.279 4.671 0.071 1 0 "[ . 1]" 1
853 1 72 PHE HB3 1 74 HIS H 4.680 . 4.680 4.624 4.544 4.753 0.073 9 0 "[ . 1]" 1
854 1 72 PHE QD 1 73 ILE H 3.920 . 3.920 3.278 2.960 3.821 . 0 0 "[ . 1]" 1
855 1 72 PHE QD 1 73 ILE HA 5.010 . 5.010 3.845 3.423 4.354 . 0 0 "[ . 1]" 1
856 1 72 PHE QD 1 73 ILE HB 4.890 . 4.890 4.573 4.048 5.057 0.167 3 0 "[ . 1]" 1
857 1 72 PHE QD 1 73 ILE MD 3.690 . 3.690 2.366 1.949 2.998 . 0 0 "[ . 1]" 1
858 1 72 PHE QD 1 73 ILE HG12 3.780 . 3.780 2.277 1.780 2.841 . 0 0 "[ . 1]" 1
859 1 72 PHE QD 1 73 ILE HG13 4.770 . 4.770 3.620 3.326 4.151 . 0 0 "[ . 1]" 1
860 1 72 PHE QD 1 74 HIS H 5.460 . 5.460 5.290 5.107 5.519 0.059 3 0 "[ . 1]" 1
861 1 72 PHE QD 1 76 ILE MD 4.230 . 4.230 3.117 3.017 3.270 . 0 0 "[ . 1]" 1
862 1 72 PHE QD 1 76 ILE MG 5.500 . 5.500 5.529 5.342 5.697 0.197 3 0 "[ . 1]" 1
863 1 72 PHE QD 1 118 LEU MD2 5.250 . 5.250 5.148 4.580 5.456 0.206 9 0 "[ . 1]" 1
864 1 72 PHE QE 1 73 ILE HA 5.300 . 5.300 4.551 4.265 5.004 . 0 0 "[ . 1]" 1
865 1 72 PHE QE 1 73 ILE MD 4.110 . 4.110 2.366 2.016 2.684 . 0 0 "[ . 1]" 1
866 1 72 PHE QE 1 76 ILE MD 4.390 . 4.390 2.523 2.269 2.670 . 0 0 "[ . 1]" 1
867 1 72 PHE QE 1 76 ILE MG 5.500 . 5.500 4.835 4.631 5.119 . 0 0 "[ . 1]" 1
868 1 72 PHE QE 1 118 LEU MD1 4.610 . 4.610 4.050 3.645 4.301 . 0 0 "[ . 1]" 1
869 1 72 PHE QE 1 118 LEU MD2 4.400 . 4.400 3.638 2.903 4.223 . 0 0 "[ . 1]" 1
870 1 72 PHE QE 1 118 LEU HG 4.400 . 4.400 4.013 3.598 4.421 0.021 2 0 "[ . 1]" 1
871 1 73 ILE H 1 73 ILE HG12 3.490 . 3.490 2.225 2.001 2.594 . 0 0 "[ . 1]" 1
872 1 73 ILE H 1 75 ASN H 4.250 . 4.250 4.185 4.064 4.271 0.021 7 0 "[ . 1]" 1
873 1 73 ILE HA 1 73 ILE MD 3.390 . 3.390 1.992 1.933 2.039 . 0 0 "[ . 1]" 1
874 1 73 ILE HA 1 73 ILE MG 3.500 . 3.500 2.306 2.213 2.438 . 0 0 "[ . 1]" 1
875 1 73 ILE HA 1 76 ILE H 3.490 . 3.490 3.329 3.217 3.384 . 0 0 "[ . 1]" 1
876 1 73 ILE HA 1 76 ILE HB 4.190 . 4.190 2.505 2.291 2.715 . 0 0 "[ . 1]" 1
877 1 73 ILE HA 1 76 ILE MD 3.990 . 3.990 2.536 2.158 2.847 . 0 0 "[ . 1]" 1
878 1 73 ILE HA 1 76 ILE QG 4.850 . 4.850 3.611 3.410 3.864 . 0 0 "[ . 1]" 1
879 1 73 ILE HA 1 76 ILE MG 4.820 . 4.820 3.903 3.719 4.114 . 0 0 "[ . 1]" 1
880 1 73 ILE HB 1 75 ASN H 5.220 . 5.220 5.229 5.025 5.339 0.119 4 0 "[ . 1]" 1
881 1 73 ILE MD 1 76 ILE MD 3.420 . 3.420 2.492 2.089 2.922 . 0 0 "[ . 1]" 1
882 1 73 ILE MD 1 76 ILE MG 4.560 . 4.560 3.767 3.181 4.013 . 0 0 "[ . 1]" 1
883 1 73 ILE MD 1 114 ALA MB 5.050 . 5.050 4.662 3.796 5.117 0.067 1 0 "[ . 1]" 1
884 1 73 ILE MD 1 118 LEU MD2 3.500 . 3.500 2.998 2.404 3.509 0.009 2 0 "[ . 1]" 1
885 1 73 ILE HG12 1 74 HIS H 4.410 . 4.410 4.193 4.023 4.474 0.064 1 0 "[ . 1]" 1
886 1 73 ILE HG13 1 73 ILE MG 3.270 . 3.270 2.375 2.316 2.482 . 0 0 "[ . 1]" 1
887 1 73 ILE MG 1 74 HIS H 3.900 . 3.900 3.658 3.296 3.861 . 0 0 "[ . 1]" 1
888 1 73 ILE MG 1 74 HIS HA 4.510 . 4.510 3.650 3.234 3.901 . 0 0 "[ . 1]" 1
889 1 73 ILE MG 1 76 ILE H 4.420 . 4.420 4.510 4.417 4.588 0.168 2 0 "[ . 1]" 1
890 1 73 ILE MG 1 77 VAL H 3.820 . 3.820 3.749 3.594 3.831 0.011 1 0 "[ . 1]" 1
891 1 74 HIS H 1 74 HIS QB 3.230 . 3.230 2.311 2.229 2.387 . 0 0 "[ . 1]" 1
892 1 74 HIS H 1 75 ASN H 3.670 . 3.670 2.734 2.703 2.777 . 0 0 "[ . 1]" 1
893 1 74 HIS H 1 76 ILE H 4.510 . 4.510 4.175 4.067 4.334 . 0 0 "[ . 1]" 1
894 1 74 HIS HA 1 77 VAL HB 3.990 . 3.990 3.144 2.826 3.418 . 0 0 "[ . 1]" 1
895 1 74 HIS HA 1 77 VAL MG1 5.140 . 5.140 4.406 3.993 4.774 . 0 0 "[ . 1]" 1
896 1 74 HIS HA 1 77 VAL MG2 4.160 . 4.160 3.997 3.727 4.197 0.037 7 0 "[ . 1]" 1
897 1 74 HIS HA 1 78 HIS H 4.570 . 4.570 3.865 3.691 4.238 . 0 0 "[ . 1]" 1
898 1 74 HIS HA 1 78 HIS HD2 3.890 . 3.890 2.972 2.192 3.936 0.046 8 0 "[ . 1]" 1
899 1 74 HIS QB 1 75 ASN H 3.420 . 3.420 2.569 2.489 2.686 . 0 0 "[ . 1]" 1
900 1 74 HIS QB 1 75 ASN QB 4.950 . 4.950 4.012 3.748 4.397 . 0 0 "[ . 1]" 1
901 1 75 ASN H 1 75 ASN QB 3.390 . 3.390 2.369 2.192 2.603 . 0 0 "[ . 1]" 1
902 1 75 ASN H 1 76 ILE H 3.740 . 3.740 2.570 2.503 2.634 . 0 0 "[ . 1]" 1
903 1 75 ASN H 1 76 ILE MD 5.040 . 5.040 4.955 4.840 5.076 0.036 8 0 "[ . 1]" 1
904 1 75 ASN H 1 76 ILE MG 5.500 . 5.500 5.744 5.712 5.799 0.299 9 0 "[ . 1]" 1
905 1 75 ASN H 1 77 VAL H 4.100 . 4.100 4.025 3.885 4.148 0.048 6 0 "[ . 1]" 1
906 1 75 ASN HA 1 76 ILE HA 5.400 . 5.400 4.834 4.790 4.873 . 0 0 "[ . 1]" 1
907 1 75 ASN HA 1 78 HIS H 4.010 . 4.010 3.411 3.245 3.626 . 0 0 "[ . 1]" 1
908 1 75 ASN HA 1 78 HIS HB2 4.470 . 4.470 2.830 2.409 3.280 . 0 0 "[ . 1]" 1
909 1 75 ASN HA 1 78 HIS HB3 5.500 . 5.500 4.412 3.977 4.873 . 0 0 "[ . 1]" 1
910 1 75 ASN HA 1 79 TYR H 4.600 . 4.600 3.947 3.748 4.104 . 0 0 "[ . 1]" 1
911 1 75 ASN QB 1 78 HIS H 5.180 . 5.180 4.898 4.760 5.048 . 0 0 "[ . 1]" 1
912 1 76 ILE H 1 76 ILE MD 3.680 . 3.680 3.399 3.320 3.479 . 0 0 "[ . 1]" 1
913 1 76 ILE H 1 76 ILE MG 3.920 . 3.920 3.687 3.643 3.726 . 0 0 "[ . 1]" 1
914 1 76 ILE H 1 77 VAL H 3.730 . 3.730 2.618 2.548 2.662 . 0 0 "[ . 1]" 1
915 1 76 ILE H 1 78 HIS H 4.760 . 4.760 4.062 3.840 4.271 . 0 0 "[ . 1]" 1
916 1 76 ILE HA 1 76 ILE HG12 4.160 . 4.160 2.490 2.434 2.531 . 0 0 "[ . 1]" 1
917 1 76 ILE HA 1 76 ILE QG 3.620 . 3.620 2.322 2.284 2.348 . 0 0 "[ . 1]" 1
918 1 76 ILE HA 1 76 ILE HG13 4.160 . 4.160 2.780 2.709 2.872 . 0 0 "[ . 1]" 1
919 1 76 ILE HA 1 76 ILE MG 3.680 . 3.680 2.395 2.321 2.452 . 0 0 "[ . 1]" 1
920 1 76 ILE HA 1 79 TYR HB2 4.590 . 4.590 3.741 3.196 4.630 0.040 3 0 "[ . 1]" 1
921 1 76 ILE HA 1 79 TYR HB3 4.590 . 4.590 3.053 2.630 3.683 . 0 0 "[ . 1]" 1
922 1 76 ILE HA 1 121 TRP HZ3 5.110 . 5.110 5.484 5.212 5.703 0.593 3 4 "[* +-.* 1]" 1
923 1 76 ILE HB 1 118 LEU MD1 5.160 . 5.160 4.179 3.816 4.614 . 0 0 "[ . 1]" 1
924 1 76 ILE MD 1 76 ILE MG 3.370 . 3.370 1.896 1.825 1.970 . 0 0 "[ . 1]" 1
925 1 76 ILE MD 1 118 LEU MD1 3.420 . 3.420 2.041 1.876 2.354 . 0 0 "[ . 1]" 1
926 1 76 ILE MD 1 118 LEU MD2 4.420 . 4.420 2.878 2.200 3.394 . 0 0 "[ . 1]" 1
927 1 76 ILE MD 1 118 LEU HG 4.100 . 4.100 3.457 3.001 3.946 . 0 0 "[ . 1]" 1
928 1 76 ILE QG 1 77 VAL H 4.900 . 4.900 4.118 4.046 4.183 . 0 0 "[ . 1]" 1
929 1 76 ILE MG 1 77 VAL H 4.220 . 4.220 3.348 3.156 3.454 . 0 0 "[ . 1]" 1
930 1 76 ILE MG 1 77 VAL HA 4.720 . 4.720 3.317 3.171 3.437 . 0 0 "[ . 1]" 1
931 1 76 ILE MG 1 77 VAL MG1 4.960 . 4.960 4.703 4.539 4.864 . 0 0 "[ . 1]" 1
932 1 76 ILE MG 1 77 VAL MG2 4.000 . 4.000 2.953 2.819 3.101 . 0 0 "[ . 1]" 1
933 1 76 ILE MG 1 79 TYR H 4.820 . 4.820 4.784 4.698 4.919 0.099 3 0 "[ . 1]" 1
934 1 76 ILE MG 1 79 TYR HB2 5.150 . 5.150 5.110 4.699 5.614 0.464 3 0 "[ . 1]" 1
935 1 76 ILE MG 1 79 TYR QB 4.520 . 4.520 4.035 3.876 4.376 . 0 0 "[ . 1]" 1
936 1 76 ILE MG 1 79 TYR HB3 5.150 . 5.150 4.238 4.061 4.565 . 0 0 "[ . 1]" 1
937 1 76 ILE MG 1 118 LEU MD1 3.990 . 3.990 2.220 1.905 2.521 . 0 0 "[ . 1]" 1
938 1 76 ILE MG 1 118 LEU MD2 4.870 . 4.870 3.064 2.709 3.498 . 0 0 "[ . 1]" 1
939 1 76 ILE MG 1 121 TRP HB2 5.370 . 5.370 4.364 4.130 4.587 . 0 0 "[ . 1]" 1
940 1 76 ILE MG 1 121 TRP HB3 5.370 . 5.370 4.091 3.882 4.310 . 0 0 "[ . 1]" 1
941 1 76 ILE MG 1 121 TRP HE1 4.310 . 4.310 3.390 3.215 3.567 . 0 0 "[ . 1]" 1
942 1 76 ILE MG 1 121 TRP HH2 5.060 . 5.060 3.245 3.043 3.473 . 0 0 "[ . 1]" 1
943 1 76 ILE MG 1 121 TRP HZ2 4.650 . 4.650 2.950 2.768 3.075 . 0 0 "[ . 1]" 1
944 1 76 ILE MG 1 121 TRP HZ3 4.570 . 4.570 3.561 3.313 3.769 . 0 0 "[ . 1]" 1
945 1 77 VAL H 1 77 VAL HB 3.020 . 3.020 2.410 2.262 2.515 . 0 0 "[ . 1]" 1
946 1 77 VAL H 1 77 VAL MG1 3.980 . 3.980 3.744 3.652 3.782 . 0 0 "[ . 1]" 1
947 1 77 VAL H 1 78 HIS H 3.800 . 3.800 2.394 2.265 2.509 . 0 0 "[ . 1]" 1
948 1 77 VAL H 1 78 HIS HB2 4.630 . 4.630 4.566 4.408 4.756 0.126 5 0 "[ . 1]" 1
949 1 77 VAL HA 1 77 VAL MG1 3.490 . 3.490 2.390 2.299 2.545 . 0 0 "[ . 1]" 1
950 1 77 VAL HA 1 77 VAL MG2 3.060 . 3.060 2.323 2.256 2.387 . 0 0 "[ . 1]" 1
951 1 77 VAL HA 1 78 HIS H 3.480 . 3.480 3.520 3.443 3.552 0.072 5 0 "[ . 1]" 1
952 1 77 VAL HA 1 78 HIS HD2 4.790 . 4.790 4.584 4.216 4.885 0.095 5 0 "[ . 1]" 1
953 1 77 VAL HA 1 79 TYR H 4.020 . 4.020 3.859 3.637 3.984 . 0 0 "[ . 1]" 1
954 1 77 VAL HA 1 121 TRP HE1 5.270 . 5.270 4.111 3.542 4.425 . 0 0 "[ . 1]" 1
955 1 77 VAL HB 1 78 HIS HD2 3.740 . 3.740 2.374 2.170 2.661 . 0 0 "[ . 1]" 1
956 1 77 VAL MG1 1 78 HIS H 4.000 . 4.000 3.416 3.073 3.836 . 0 0 "[ . 1]" 1
957 1 77 VAL MG1 1 78 HIS HA 4.600 . 4.600 3.396 3.091 3.805 . 0 0 "[ . 1]" 1
958 1 77 VAL MG1 1 78 HIS HB2 5.500 . 5.500 4.811 4.370 5.222 . 0 0 "[ . 1]" 1
959 1 77 VAL MG1 1 78 HIS HD2 4.030 . 4.030 2.613 1.939 3.255 . 0 0 "[ . 1]" 1
960 1 77 VAL MG1 1 79 TYR H 4.920 . 4.920 4.615 4.434 4.874 . 0 0 "[ . 1]" 1
961 1 77 VAL MG2 1 78 HIS HD2 4.700 . 4.700 3.998 3.845 4.163 . 0 0 "[ . 1]" 1
962 1 78 HIS H 1 78 HIS HB2 3.720 . 3.720 2.402 2.361 2.454 . 0 0 "[ . 1]" 1
963 1 78 HIS H 1 78 HIS HD2 4.330 . 4.330 2.564 2.313 2.871 . 0 0 "[ . 1]" 1
964 1 78 HIS H 1 79 TYR H 3.720 . 3.720 2.451 2.267 2.578 . 0 0 "[ . 1]" 1
965 1 78 HIS HA 1 78 HIS HD2 4.340 . 4.340 3.325 2.513 3.943 . 0 0 "[ . 1]" 1
966 1 78 HIS HB2 1 79 TYR H 4.480 . 4.480 3.545 3.378 3.667 . 0 0 "[ . 1]" 1
967 1 79 TYR HA 1 79 TYR QD 3.740 . 3.740 3.170 2.415 3.651 . 0 0 "[ . 1]" 1
968 1 79 TYR QB 1 121 TRP HH2 4.490 . 4.490 4.572 4.211 4.937 0.447 3 0 "[ . 1]" 1
969 1 79 TYR QB 1 121 TRP HZ2 3.960 . 3.960 3.109 2.766 3.814 . 0 0 "[ . 1]" 1
970 1 79 TYR QD 1 81 THR HA 4.880 . 4.880 4.245 3.903 4.886 0.006 3 0 "[ . 1]" 1
971 1 79 TYR QD 1 121 TRP HH2 5.100 . 5.100 4.890 3.804 5.091 . 0 0 "[ . 1]" 1
972 1 79 TYR QE 1 81 THR MG 3.970 . 3.970 3.132 1.887 4.302 0.332 5 0 "[ . 1]" 1
973 1 79 TYR QE 1 121 TRP HE1 4.430 . 4.430 3.596 2.321 4.724 0.294 4 0 "[ . 1]" 1
974 1 80 ASP HA 1 83 LEU QB 5.340 . 5.340 4.554 2.632 5.710 0.370 3 0 "[ . 1]" 1
975 1 80 ASP QB 1 83 LEU QB 5.180 . 5.180 2.849 1.876 5.312 0.132 3 0 "[ . 1]" 1
976 1 80 ASP QB 1 83 LEU QD 4.210 . 4.210 2.817 2.007 3.431 . 0 0 "[ . 1]" 1
977 1 80 ASP QB 1 83 LEU HG 4.810 . 4.810 3.794 2.180 4.437 . 0 0 "[ . 1]" 1
978 1 80 ASP HB2 1 83 LEU HG 5.500 . 5.500 4.479 3.723 5.221 . 0 0 "[ . 1]" 1
979 1 80 ASP HB3 1 83 LEU HG 5.500 . 5.500 4.396 2.192 5.518 0.018 8 0 "[ . 1]" 1
980 1 81 THR HB 1 82 THR H 4.110 . 4.110 3.681 2.495 4.067 . 0 0 "[ . 1]" 1
981 1 81 THR MG 1 121 TRP HE1 5.500 . 5.500 5.224 3.950 5.655 0.155 1 0 "[ . 1]" 1
982 1 82 THR H 1 82 THR MG 3.390 . 3.390 2.717 1.987 3.727 0.337 8 0 "[ . 1]" 1
983 1 82 THR H 1 83 LEU H 4.200 . 4.200 2.495 1.775 2.912 . 0 0 "[ . 1]" 1
984 1 82 THR MG 1 83 LEU H 4.270 . 4.270 3.322 1.938 4.315 0.045 1 0 "[ . 1]" 1
985 1 82 THR MG 1 83 LEU QD 4.670 . 4.670 3.534 2.343 4.761 0.091 8 0 "[ . 1]" 1
986 1 83 LEU H 1 83 LEU QD 4.690 . 4.690 2.775 2.040 3.675 . 0 0 "[ . 1]" 1
987 1 83 LEU HA 1 83 LEU MD1 3.970 . 3.970 3.277 1.997 4.090 0.120 1 0 "[ . 1]" 1
988 1 83 LEU HA 1 83 LEU QD 3.400 . 3.400 2.470 1.784 3.430 0.030 9 0 "[ . 1]" 1
989 1 83 LEU HA 1 83 LEU MD2 3.970 . 3.970 2.795 2.007 3.937 . 0 0 "[ . 1]" 1
990 1 83 LEU HA 1 83 LEU HG 3.750 . 3.750 3.047 2.075 3.564 . 0 0 "[ . 1]" 1
991 1 87 PRO QB 1 88 GLN H 4.090 . 4.090 3.606 2.412 3.922 . 0 0 "[ . 1]" 1
992 1 87 PRO QB 1 89 ILE H 4.160 . 4.160 3.673 2.311 4.515 0.355 2 0 "[ . 1]" 1
993 1 87 PRO QB 1 90 ARG H 3.800 . 3.800 3.568 2.663 4.511 0.711 10 1 "[ . +]" 1
994 1 88 GLN H 1 89 ILE H 5.150 . 5.150 2.499 2.148 2.845 . 0 0 "[ . 1]" 1
995 1 88 GLN H 1 89 ILE HA 5.140 . 5.140 4.998 4.624 5.390 0.250 2 0 "[ . 1]" 1
996 1 88 GLN H 1 89 ILE QG 4.650 . 4.650 3.733 3.049 4.755 0.105 7 0 "[ . 1]" 1
997 1 88 GLN H 1 91 LYS H 5.500 . 5.500 5.489 4.846 5.979 0.479 1 0 "[ . 1]" 1
998 1 89 ILE H 1 89 ILE HG12 4.000 . 4.000 2.316 1.869 3.969 . 0 0 "[ . 1]" 1
999 1 89 ILE H 1 89 ILE QG 3.290 . 3.290 2.168 1.860 2.682 . 0 0 "[ . 1]" 1
1000 1 89 ILE H 1 89 ILE HG13 4.000 . 4.000 3.436 2.727 3.598 . 0 0 "[ . 1]" 1
1001 1 89 ILE H 1 90 ARG H 3.680 . 3.680 2.658 2.218 3.078 . 0 0 "[ . 1]" 1
1002 1 89 ILE H 1 90 ARG HA 5.500 . 5.500 5.177 4.778 5.530 0.030 7 0 "[ . 1]" 1
1003 1 89 ILE H 1 91 LYS H 4.780 . 4.780 4.313 3.746 4.776 . 0 0 "[ . 1]" 1
1004 1 89 ILE HA 1 89 ILE MD 3.710 . 3.710 2.190 1.934 3.772 0.062 3 0 "[ . 1]" 1
1005 1 89 ILE HA 1 89 ILE HG12 3.880 . 3.880 2.960 2.426 3.296 . 0 0 "[ . 1]" 1
1006 1 89 ILE HA 1 89 ILE HG13 3.880 . 3.880 3.609 2.699 3.788 . 0 0 "[ . 1]" 1
1007 1 89 ILE HA 1 89 ILE MG 3.510 . 3.510 2.343 2.246 2.553 . 0 0 "[ . 1]" 1
1008 1 89 ILE HA 1 92 TYR HA 5.500 . 5.500 4.927 4.403 5.622 0.122 7 0 "[ . 1]" 1
1009 1 89 ILE HA 1 92 TYR QB 3.610 . 3.610 2.250 1.888 2.860 . 0 0 "[ . 1]" 1
1010 1 89 ILE HA 1 92 TYR QD 4.120 . 4.120 3.441 2.908 4.003 . 0 0 "[ . 1]" 1
1011 1 89 ILE HA 1 93 MET H 4.390 . 4.390 3.583 3.023 4.231 . 0 0 "[ . 1]" 1
1012 1 89 ILE HB 1 89 ILE MD 3.510 . 3.510 3.103 2.217 3.232 . 0 0 "[ . 1]" 1
1013 1 89 ILE HB 1 92 TYR QB 5.480 . 5.480 4.668 3.937 5.477 . 0 0 "[ . 1]" 1
1014 1 89 ILE MD 1 92 TYR QB 4.300 . 4.300 3.283 2.684 4.347 0.047 3 0 "[ . 1]" 1
1015 1 89 ILE MG 1 90 ARG HA 3.940 . 3.940 3.558 2.804 4.175 0.235 8 0 "[ . 1]" 1
1016 1 89 ILE MG 1 91 LYS H 5.500 . 5.500 4.923 4.385 5.490 . 0 0 "[ . 1]" 1
1017 1 89 ILE MG 1 92 TYR QB 4.800 . 4.800 2.980 1.850 4.413 . 0 0 "[ . 1]" 1
1018 1 89 ILE MG 1 93 MET H 4.300 . 4.300 3.106 2.529 3.551 . 0 0 "[ . 1]" 1
1019 1 89 ILE MG 1 93 MET HG2 4.030 . 4.030 2.404 1.875 3.266 . 0 0 "[ . 1]" 1
1020 1 89 ILE MG 1 93 MET QG 3.470 . 3.470 2.064 1.840 2.875 . 0 0 "[ . 1]" 1
1021 1 89 ILE MG 1 93 MET HG3 4.030 . 4.030 2.574 1.988 3.309 . 0 0 "[ . 1]" 1
1022 1 89 ILE MG 1 126 ILE MD 3.750 . 3.750 2.822 1.929 3.654 . 0 0 "[ . 1]" 1
1023 1 90 ARG H 1 90 ARG QB 3.680 . 3.680 2.281 2.111 2.574 . 0 0 "[ . 1]" 1
1024 1 90 ARG H 1 90 ARG QD 4.550 . 4.550 4.172 3.419 4.634 0.084 9 0 "[ . 1]" 1
1025 1 90 ARG H 1 91 LYS H 3.730 . 3.730 2.885 2.810 2.933 . 0 0 "[ . 1]" 1
1026 1 90 ARG HA 1 90 ARG QD 4.220 . 4.220 3.234 2.026 4.258 0.038 5 0 "[ . 1]" 1
1027 1 90 ARG HA 1 93 MET H 4.540 . 4.540 4.064 3.512 4.473 . 0 0 "[ . 1]" 1
1028 1 90 ARG HA 1 93 MET QG 4.700 . 4.700 4.187 3.360 4.869 0.169 4 0 "[ . 1]" 1
1029 1 90 ARG HA 1 126 ILE MD 4.370 . 4.370 2.451 1.972 2.832 . 0 0 "[ . 1]" 1
1030 1 90 ARG HA 1 126 ILE QG 4.630 . 4.630 3.759 2.072 4.780 0.150 10 0 "[ . 1]" 1
1031 1 90 ARG QB 1 126 ILE MD 3.640 . 3.640 3.500 2.040 3.793 0.153 10 0 "[ . 1]" 1
1032 1 90 ARG QD 1 126 ILE HA 4.730 . 4.730 4.337 2.984 5.021 0.291 8 0 "[ . 1]" 1
1033 1 90 ARG QD 1 126 ILE MD 4.820 . 4.820 3.621 2.216 4.966 0.146 7 0 "[ . 1]" 1
1034 1 90 ARG QD 1 126 ILE MG 3.800 . 3.800 3.370 2.594 4.005 0.205 5 0 "[ . 1]" 1
1035 1 92 TYR HA 1 92 TYR QD 3.470 . 3.470 2.354 1.901 2.993 . 0 0 "[ . 1]" 1
1036 1 92 TYR HA 1 92 TYR QE 4.760 . 4.760 4.371 3.981 4.794 0.034 9 0 "[ . 1]" 1
1037 1 92 TYR QB 1 93 MET ME 5.030 . 5.030 4.342 2.412 5.217 0.187 9 0 "[ . 1]" 1
1038 1 92 TYR QD 1 96 GLU HG2 4.200 . 4.200 3.327 2.542 3.979 . 0 0 "[ . 1]" 1
1039 1 92 TYR QD 1 96 GLU QG 3.670 . 3.670 2.648 1.907 3.653 . 0 0 "[ . 1]" 1
1040 1 92 TYR QD 1 96 GLU HG3 4.200 . 4.200 2.984 1.931 4.386 0.186 9 0 "[ . 1]" 1
1041 1 92 TYR QE 1 96 GLU QB 4.020 . 4.020 3.873 2.208 4.305 0.285 10 0 "[ . 1]" 1
1042 1 92 TYR QE 1 96 GLU HG2 3.890 . 3.890 3.392 2.207 4.263 0.373 7 0 "[ . 1]" 1
1043 1 92 TYR QE 1 96 GLU QG 3.190 . 3.190 2.592 2.063 3.140 . 0 0 "[ . 1]" 1
1044 1 92 TYR QE 1 96 GLU HG3 3.890 . 3.890 2.784 2.376 3.724 . 0 0 "[ . 1]" 1
1045 1 93 MET H 1 93 MET ME 4.550 . 4.550 4.132 3.207 4.592 0.042 9 0 "[ . 1]" 1
1046 1 93 MET H 1 93 MET QG 3.360 . 3.360 2.117 1.844 2.416 . 0 0 "[ . 1]" 1
1047 1 93 MET H 1 96 GLU QG 5.280 . 5.280 4.994 4.560 5.411 0.131 9 0 "[ . 1]" 1
1048 1 93 MET HA 1 93 MET ME 4.540 . 4.540 3.461 2.325 4.160 . 0 0 "[ . 1]" 1
1049 1 93 MET HA 1 95 GLU H 5.020 . 5.020 4.947 4.202 5.745 0.725 7 1 "[ . + 1]" 1
1050 1 93 MET HA 1 96 GLU H 4.200 . 4.200 3.953 3.384 4.611 0.411 2 0 "[ . 1]" 1
1051 1 93 MET HA 1 96 GLU QB 4.730 . 4.730 3.568 2.662 4.686 . 0 0 "[ . 1]" 1
1052 1 93 MET HA 1 126 ILE MD 5.310 . 5.310 4.949 4.220 5.608 0.298 5 0 "[ . 1]" 1
1053 1 93 MET QB 1 93 MET ME 3.960 . 3.960 3.120 2.016 3.670 . 0 0 "[ . 1]" 1
1054 1 93 MET QB 1 94 GLU H 3.660 . 3.660 3.000 1.868 3.900 0.240 2 0 "[ . 1]" 1
1055 1 93 MET QB 1 122 VAL QG 5.280 . 5.280 4.019 2.780 5.056 . 0 0 "[ . 1]" 1
1056 1 93 MET HB2 1 126 ILE MD 4.490 . 4.490 2.579 2.035 3.209 . 0 0 "[ . 1]" 1
1057 1 93 MET HB3 1 126 ILE MD 4.490 . 4.490 3.450 2.437 4.082 . 0 0 "[ . 1]" 1
1058 1 93 MET ME 1 93 MET HG2 3.820 . 3.820 2.624 2.056 3.345 . 0 0 "[ . 1]" 1
1059 1 93 MET ME 1 93 MET QG 3.240 . 3.240 2.139 1.956 2.315 . 0 0 "[ . 1]" 1
1060 1 93 MET ME 1 93 MET HG3 3.820 . 3.820 2.488 1.987 3.259 . 0 0 "[ . 1]" 1
1061 1 93 MET ME 1 122 VAL MG1 4.760 . 4.760 3.517 2.091 4.764 0.004 9 0 "[ . 1]" 1
1062 1 93 MET ME 1 122 VAL QG 3.820 . 3.820 2.892 1.844 3.853 0.033 2 0 "[ . 1]" 1
1063 1 93 MET ME 1 122 VAL MG2 4.760 . 4.760 3.464 1.851 4.833 0.073 5 0 "[ . 1]" 1
1064 1 93 MET HG2 1 126 ILE MD 4.280 . 4.280 3.667 2.537 4.508 0.228 10 0 "[ . 1]" 1
1065 1 93 MET HG3 1 126 ILE MD 4.280 . 4.280 3.139 2.173 4.112 . 0 0 "[ . 1]" 1
1066 1 94 GLU H 1 94 GLU QB 3.390 . 3.390 2.616 2.147 3.022 . 0 0 "[ . 1]" 1
1067 1 94 GLU H 1 95 GLU H 3.800 . 3.800 3.011 2.110 4.480 0.680 7 1 "[ . + 1]" 1
1068 1 94 GLU H 1 96 GLU QG 5.340 . 5.340 4.664 3.304 5.599 0.259 5 0 "[ . 1]" 1
1069 1 94 GLU H 1 126 ILE MD 5.130 . 5.130 4.637 3.690 5.605 0.475 4 0 "[ . 1]" 1
1070 1 94 GLU HA 1 97 PHE H 4.510 . 4.510 3.936 2.988 4.917 0.407 5 0 "[ . 1]" 1
1071 1 94 GLU HA 1 98 LEU H 4.030 . 4.030 4.019 3.229 4.671 0.641 7 1 "[ . + 1]" 1
1072 1 94 GLU HA 1 98 LEU HB2 4.230 . 4.230 3.633 2.058 4.781 0.551 10 1 "[ . +]" 1
1073 1 94 GLU HA 1 98 LEU QB 3.700 . 3.700 2.802 2.022 3.652 . 0 0 "[ . 1]" 1
1074 1 94 GLU HA 1 98 LEU HB3 4.230 . 4.230 3.339 2.054 4.545 0.315 4 0 "[ . 1]" 1
1075 1 94 GLU HA 1 98 LEU QD 4.290 . 4.290 3.364 1.930 4.737 0.447 4 0 "[ . 1]" 1
1076 1 94 GLU QB 1 98 LEU QD 4.760 . 4.760 3.504 2.353 4.392 . 0 0 "[ . 1]" 1
1077 1 94 GLU QG 1 126 ILE MG 4.350 . 4.350 4.011 2.334 4.635 0.285 4 0 "[ . 1]" 1
1078 1 95 GLU H 1 95 GLU HG2 4.050 . 4.050 3.298 2.163 4.096 0.046 7 0 "[ . 1]" 1
1079 1 95 GLU H 1 95 GLU QG 3.350 . 3.350 2.598 2.145 3.112 . 0 0 "[ . 1]" 1
1080 1 95 GLU H 1 95 GLU HG3 4.050 . 4.050 3.079 2.170 3.836 . 0 0 "[ . 1]" 1
1081 1 95 GLU H 1 96 GLU H 3.340 . 3.340 2.700 2.526 2.826 . 0 0 "[ . 1]" 1
1082 1 95 GLU H 1 96 GLU QB 5.500 . 5.500 4.751 3.776 5.368 . 0 0 "[ . 1]" 1
1083 1 95 GLU H 1 96 GLU QG 4.710 . 4.710 4.303 3.761 4.876 0.166 2 0 "[ . 1]" 1
1084 1 95 GLU HA 1 95 GLU HG2 3.860 . 3.860 2.514 2.092 3.655 . 0 0 "[ . 1]" 1
1085 1 95 GLU HA 1 95 GLU QG 3.380 . 3.380 2.397 2.048 3.284 . 0 0 "[ . 1]" 1
1086 1 95 GLU HA 1 95 GLU HG3 3.860 . 3.860 3.155 2.764 3.719 . 0 0 "[ . 1]" 1
1087 1 96 GLU H 1 96 GLU QB 3.350 . 3.350 2.527 2.103 3.245 . 0 0 "[ . 1]" 1
1088 1 96 GLU H 1 96 GLU HG2 4.340 . 4.340 2.767 1.925 4.157 . 0 0 "[ . 1]" 1
1089 1 96 GLU H 1 96 GLU QG 3.680 . 3.680 2.573 1.917 3.834 0.154 2 0 "[ . 1]" 1
1090 1 96 GLU H 1 96 GLU HG3 4.340 . 4.340 3.632 2.228 4.495 0.155 2 0 "[ . 1]" 1
1091 1 96 GLU H 1 97 PHE H 3.680 . 3.680 2.540 1.871 3.525 . 0 0 "[ . 1]" 1
1092 1 96 GLU H 1 98 LEU H 4.590 . 4.590 4.144 2.880 4.752 0.162 7 0 "[ . 1]" 1
1093 1 96 GLU QB 1 97 PHE H 3.710 . 3.710 3.072 1.797 3.965 0.255 10 0 "[ . 1]" 1
1094 1 96 GLU QB 1 97 PHE HA 4.690 . 4.690 4.425 4.115 4.565 . 0 0 "[ . 1]" 1
1095 1 96 GLU QB 1 98 LEU H 5.330 . 5.330 4.756 2.781 5.761 0.431 7 0 "[ . 1]" 1
1096 1 96 GLU QG 1 97 PHE H 4.510 . 4.510 4.264 3.725 4.768 0.258 5 0 "[ . 1]" 1
1097 1 97 PHE H 1 97 PHE HB2 3.930 . 3.930 3.223 2.668 3.994 0.064 3 0 "[ . 1]" 1
1098 1 97 PHE H 1 97 PHE HB3 3.930 . 3.930 3.620 3.207 3.966 0.036 1 0 "[ . 1]" 1
1099 1 97 PHE H 1 98 LEU H 3.540 . 3.540 2.221 1.595 3.050 . 0 0 "[ . 1]" 1
1100 1 97 PHE H 1 98 LEU HA 5.080 . 5.080 4.292 3.823 4.757 . 0 0 "[ . 1]" 1
1101 1 97 PHE H 1 98 LEU QD 4.410 . 4.410 3.816 2.125 5.051 0.641 3 1 "[ + . 1]" 1
1102 1 97 PHE HA 1 98 LEU QD 4.580 . 4.580 4.635 3.516 5.344 0.764 2 1 "[ + . 1]" 1
1103 1 97 PHE HA 1 99 SER H 4.480 . 4.480 4.000 3.216 4.842 0.362 10 0 "[ . 1]" 1
1104 1 97 PHE QB 1 98 LEU H 4.000 . 4.000 3.501 2.284 3.910 . 0 0 "[ . 1]" 1
1105 1 97 PHE QB 1 98 LEU QD 5.280 . 5.280 4.706 3.670 5.635 0.355 3 0 "[ . 1]" 1
1106 1 97 PHE QB 1 99 SER H 5.100 . 5.100 4.633 2.318 5.562 0.462 1 0 "[ . 1]" 1
1107 1 97 PHE HB2 1 98 LEU H 4.550 . 4.550 4.032 3.078 4.569 0.019 7 0 "[ . 1]" 1
1108 1 97 PHE HB3 1 98 LEU H 4.550 . 4.550 3.918 2.354 4.576 0.026 3 0 "[ . 1]" 1
1109 1 98 LEU H 1 98 LEU QD 4.690 . 4.690 2.766 1.776 3.565 . 0 0 "[ . 1]" 1
1110 1 98 LEU H 1 99 SER H 3.780 . 3.780 2.450 1.789 2.924 . 0 0 "[ . 1]" 1
1111 1 98 LEU H 1 100 ASP H 4.520 . 4.520 3.700 2.989 4.377 . 0 0 "[ . 1]" 1
1112 1 98 LEU HA 1 98 LEU QD 3.740 . 3.740 2.837 1.842 3.377 . 0 0 "[ . 1]" 1
1113 1 98 LEU HA 1 100 ASP H 5.300 . 5.300 3.968 3.412 4.734 . 0 0 "[ . 1]" 1
1114 1 98 LEU QD 1 99 SER H 4.010 . 4.010 2.396 1.819 3.781 . 0 0 "[ . 1]" 1
1115 1 98 LEU QD 1 99 SER QB 3.400 . 3.400 2.800 1.922 3.963 0.563 9 1 "[ . +1]" 1
1116 1 98 LEU QD 1 100 ASP H 4.460 . 4.460 4.042 3.668 4.469 0.009 7 0 "[ . 1]" 1
1117 1 98 LEU MD1 1 99 SER HB2 5.760 . 5.760 4.561 3.291 5.996 0.236 7 0 "[ . 1]" 1
1118 1 98 LEU MD1 1 99 SER HB3 5.760 . 5.760 4.456 2.015 6.197 0.437 7 0 "[ . 1]" 1
1119 1 98 LEU MD2 1 99 SER HB2 5.760 . 5.760 4.247 1.939 5.871 0.111 9 0 "[ . 1]" 1
1120 1 98 LEU MD2 1 99 SER HB3 5.760 . 5.760 4.160 2.064 6.210 0.450 9 0 "[ . 1]" 1
1121 1 99 SER H 1 99 SER QB 3.210 . 3.210 2.524 2.234 2.794 . 0 0 "[ . 1]" 1
1122 1 99 SER H 1 100 ASP H 3.600 . 3.600 2.472 2.060 2.770 . 0 0 "[ . 1]" 1
1123 1 99 SER H 1 100 ASP QB 4.550 . 4.550 4.395 4.038 4.866 0.316 10 0 "[ . 1]" 1
1124 1 99 SER HA 1 100 ASP HA 5.440 . 5.440 4.682 4.441 4.951 . 0 0 "[ . 1]" 1
1125 1 99 SER QB 1 100 ASP H 3.970 . 3.970 3.477 2.912 3.953 . 0 0 "[ . 1]" 1
1126 1 99 SER QB 1 100 ASP QB 5.180 . 5.180 4.821 3.804 5.394 0.214 9 0 "[ . 1]" 1
1127 1 100 ASP H 1 100 ASP QB 3.230 . 3.230 2.398 2.249 2.502 . 0 0 "[ . 1]" 1
1128 1 100 ASP HA 1 101 PRO QD 3.590 . 3.590 1.964 1.825 2.089 . 0 0 "[ . 1]" 1
1129 1 100 ASP HA 1 101 PRO QG 4.720 . 4.720 3.878 3.683 4.039 . 0 0 "[ . 1]" 1
1130 1 100 ASP QB 1 102 ASN H 4.480 . 4.480 3.989 2.790 5.510 1.030 3 2 "[ -+ . 1]" 1
1131 1 100 ASP QB 1 103 PHE H 4.890 . 4.890 3.739 2.444 4.579 . 0 0 "[ . 1]" 1
1132 1 101 PRO HA 1 103 PHE H 4.190 . 4.190 3.581 3.082 3.992 . 0 0 "[ . 1]" 1
1133 1 101 PRO HA 1 104 THR MG 5.150 . 5.150 5.219 4.717 5.457 0.307 10 0 "[ . 1]" 1
1134 1 101 PRO QB 1 102 ASN H 3.710 . 3.710 3.265 1.844 3.968 0.258 4 0 "[ . 1]" 1
1135 1 101 PRO QB 1 103 PHE H 4.720 . 4.720 4.628 4.104 5.066 0.346 5 0 "[ . 1]" 1
1136 1 101 PRO HB2 1 102 ASN H 4.470 . 4.470 3.493 1.853 4.331 . 0 0 "[ . 1]" 1
1137 1 101 PRO HB2 1 103 PHE H 5.500 . 5.500 5.007 4.294 5.582 0.082 10 0 "[ . 1]" 1
1138 1 101 PRO HB3 1 102 ASN H 4.470 . 4.470 4.129 3.276 4.622 0.152 10 0 "[ . 1]" 1
1139 1 101 PRO HB3 1 103 PHE H 5.500 . 5.500 5.475 5.151 5.842 0.342 5 0 "[ . 1]" 1
1140 1 102 ASN H 1 103 PHE H 3.450 . 3.450 2.472 1.747 2.887 . 0 0 "[ . 1]" 1
1141 1 102 ASN H 1 104 THR H 5.500 . 5.500 5.364 4.575 5.835 0.335 7 0 "[ . 1]" 1
1142 1 102 ASN H 1 104 THR MG 5.020 . 5.020 4.748 3.688 5.165 0.145 7 0 "[ . 1]" 1
1143 1 102 ASN HA 1 104 THR MG 3.980 . 3.980 3.357 2.939 3.928 . 0 0 "[ . 1]" 1
1144 1 102 ASN HA 1 107 THR MG 3.820 . 3.820 3.899 3.334 4.254 0.434 5 0 "[ . 1]" 1
1145 1 102 ASN QB 1 103 PHE HB2 4.290 . 4.290 4.123 3.718 4.532 0.242 8 0 "[ . 1]" 1
1146 1 102 ASN QB 1 107 THR MG 4.740 . 4.740 3.970 3.045 4.835 0.095 3 0 "[ . 1]" 1
1147 1 103 PHE H 1 104 THR MG 4.580 . 4.580 4.200 3.756 4.557 . 0 0 "[ . 1]" 1
1148 1 103 PHE HA 1 103 PHE QD 3.560 . 3.560 2.669 2.052 2.996 . 0 0 "[ . 1]" 1
1149 1 103 PHE HA 1 104 THR H 3.280 . 3.280 2.403 2.272 2.474 . 0 0 "[ . 1]" 1
1150 1 103 PHE HA 1 104 THR MG 4.510 . 4.510 3.915 3.737 4.067 . 0 0 "[ . 1]" 1
1151 1 103 PHE HA 1 108 ILE MD 3.740 . 3.740 3.150 2.799 3.567 . 0 0 "[ . 1]" 1
1152 1 103 PHE HB3 1 104 THR H 4.510 . 4.510 4.399 4.313 4.483 . 0 0 "[ . 1]" 1
1153 1 103 PHE QD 1 104 THR H 4.400 . 4.400 3.894 3.457 4.402 0.002 3 0 "[ . 1]" 1
1154 1 103 PHE QD 1 108 ILE MD 3.890 . 3.890 2.525 1.926 2.924 . 0 0 "[ . 1]" 1
1155 1 103 PHE QD 1 108 ILE QG 5.340 . 5.340 3.929 3.350 4.300 . 0 0 "[ . 1]" 1
1156 1 103 PHE QD 1 119 TYR QE 4.070 . 4.070 3.316 2.075 4.173 0.103 3 0 "[ . 1]" 1
1157 1 103 PHE QE 1 108 ILE MD 4.310 . 4.310 2.215 1.852 2.680 . 0 0 "[ . 1]" 1
1158 1 103 PHE QE 1 119 TYR QE 4.310 . 4.310 2.805 2.041 3.676 . 0 0 "[ . 1]" 1
1159 1 103 PHE HZ 1 122 VAL MG1 5.220 . 5.220 4.221 3.537 4.817 . 0 0 "[ . 1]" 1
1160 1 103 PHE HZ 1 122 VAL QG 4.160 . 4.160 3.874 3.352 4.343 0.183 10 0 "[ . 1]" 1
1161 1 103 PHE HZ 1 122 VAL MG2 5.220 . 5.220 4.905 3.420 5.593 0.373 10 0 "[ . 1]" 1
1162 1 104 THR H 1 104 THR MG 3.400 . 3.400 2.009 1.838 2.112 . 0 0 "[ . 1]" 1
1163 1 104 THR H 1 105 TYR H 4.550 . 4.550 4.420 4.379 4.465 . 0 0 "[ . 1]" 1
1164 1 104 THR H 1 108 ILE H 4.340 . 4.340 3.755 3.397 4.021 . 0 0 "[ . 1]" 1
1165 1 104 THR HA 1 104 THR MG 3.470 . 3.470 3.165 3.111 3.198 . 0 0 "[ . 1]" 1
1166 1 104 THR HA 1 108 ILE MD 4.410 . 4.410 4.307 4.056 4.527 0.117 1 0 "[ . 1]" 1
1167 1 104 THR HA 1 119 TYR QD 5.220 . 5.220 5.138 4.736 5.338 0.118 3 0 "[ . 1]" 1
1168 1 104 THR HA 1 119 TYR QE 3.960 . 3.960 3.626 3.158 3.989 0.029 10 0 "[ . 1]" 1
1169 1 104 THR HB 1 106 GLU H 4.310 . 4.310 4.514 4.208 4.942 0.632 8 1 "[ . + 1]" 1
1170 1 104 THR MG 1 105 TYR H 3.860 . 3.860 3.850 3.702 4.033 0.173 8 0 "[ . 1]" 1
1171 1 104 THR MG 1 105 TYR HA 4.720 . 4.720 4.752 4.607 5.095 0.375 8 0 "[ . 1]" 1
1172 1 104 THR MG 1 105 TYR HB3 5.350 . 5.350 5.152 4.861 5.400 0.050 8 0 "[ . 1]" 1
1173 1 104 THR MG 1 106 GLU H 4.180 . 4.180 3.253 2.980 4.284 0.104 8 0 "[ . 1]" 1
1174 1 104 THR MG 1 106 GLU QG 4.120 . 4.120 3.996 2.663 4.274 0.154 7 0 "[ . 1]" 1
1175 1 104 THR MG 1 107 THR H 3.460 . 3.460 1.896 1.726 2.648 . 0 0 "[ . 1]" 1
1176 1 104 THR MG 1 108 ILE H 3.660 . 3.660 3.154 2.818 3.524 . 0 0 "[ . 1]" 1
1177 1 104 THR MG 1 108 ILE HB 4.800 . 4.800 4.834 4.495 5.197 0.397 6 0 "[ . 1]" 1
1178 1 104 THR MG 1 108 ILE MD 4.620 . 4.620 4.416 4.126 4.651 0.031 6 0 "[ . 1]" 1
1179 1 104 THR MG 1 119 TYR QE 5.270 . 5.270 5.457 5.102 5.583 0.313 2 0 "[ . 1]" 1
1180 1 105 TYR H 1 105 TYR HB2 3.530 . 3.530 2.598 2.370 2.751 . 0 0 "[ . 1]" 1
1181 1 105 TYR H 1 105 TYR HB3 3.820 . 3.820 2.605 2.445 2.912 . 0 0 "[ . 1]" 1
1182 1 105 TYR H 1 105 TYR QD 4.240 . 4.240 4.182 4.108 4.225 . 0 0 "[ . 1]" 1
1183 1 105 TYR H 1 106 GLU H 4.020 . 4.020 2.929 2.748 3.181 . 0 0 "[ . 1]" 1
1184 1 105 TYR H 1 108 ILE MD 5.060 . 5.060 4.531 4.261 4.813 . 0 0 "[ . 1]" 1
1185 1 105 TYR H 1 119 TYR QD 4.420 . 4.420 4.205 3.858 4.662 0.242 2 0 "[ . 1]" 1
1186 1 105 TYR H 1 119 TYR QE 4.480 . 4.480 2.786 2.476 3.743 . 0 0 "[ . 1]" 1
1187 1 105 TYR HA 1 105 TYR QD 4.230 . 4.230 2.089 1.860 2.333 . 0 0 "[ . 1]" 1
1188 1 105 TYR HA 1 108 ILE HB 4.240 . 4.240 3.042 2.826 3.505 . 0 0 "[ . 1]" 1
1189 1 105 TYR HA 1 109 ASN H 4.340 . 4.340 3.986 3.781 4.273 . 0 0 "[ . 1]" 1
1190 1 105 TYR HA 1 119 TYR QD 4.620 . 4.620 2.225 1.860 3.194 . 0 0 "[ . 1]" 1
1191 1 105 TYR HA 1 119 TYR QE 4.980 . 4.980 2.769 2.379 3.608 . 0 0 "[ . 1]" 1
1192 1 105 TYR HB2 1 106 GLU H 4.440 . 4.440 3.956 3.608 4.235 . 0 0 "[ . 1]" 1
1193 1 105 TYR HB2 1 119 TYR QD 3.880 . 3.880 3.197 2.855 3.604 . 0 0 "[ . 1]" 1
1194 1 105 TYR HB2 1 119 TYR QE 3.610 . 3.610 2.268 1.896 2.675 . 0 0 "[ . 1]" 1
1195 1 105 TYR HB2 1 120 GLN QG 3.790 . 3.790 4.040 3.998 4.154 0.364 2 0 "[ . 1]" 1
1196 1 105 TYR HB3 1 106 GLU H 3.820 . 3.820 2.661 2.072 3.044 . 0 0 "[ . 1]" 1
1197 1 105 TYR HB3 1 119 TYR QE 4.180 . 4.180 3.707 3.301 3.992 . 0 0 "[ . 1]" 1
1198 1 105 TYR QD 1 106 GLU H 4.650 . 4.650 3.916 3.316 4.225 . 0 0 "[ . 1]" 1
1199 1 105 TYR QD 1 106 GLU HA 4.960 . 4.960 4.139 3.867 4.370 . 0 0 "[ . 1]" 1
1200 1 105 TYR QD 1 109 ASN H 4.450 . 4.450 3.939 3.636 4.294 . 0 0 "[ . 1]" 1
1201 1 105 TYR QD 1 119 TYR QB 5.070 . 5.070 3.230 2.449 3.680 . 0 0 "[ . 1]" 1
1202 1 105 TYR QD 1 119 TYR QE 4.130 . 4.130 3.746 3.360 4.139 0.009 6 0 "[ . 1]" 1
1203 1 105 TYR QD 1 120 GLN HG2 4.620 . 4.620 3.456 2.990 4.026 . 0 0 "[ . 1]" 1
1204 1 105 TYR QD 1 120 GLN HG3 4.620 . 4.620 3.660 3.144 4.150 . 0 0 "[ . 1]" 1
1205 1 105 TYR QE 1 108 ILE MG 4.450 . 4.450 4.400 3.686 4.665 0.215 2 0 "[ . 1]" 1
1206 1 105 TYR QE 1 109 ASN H 5.040 . 5.040 4.695 4.406 4.894 . 0 0 "[ . 1]" 1
1207 1 105 TYR QE 1 109 ASN HA 4.220 . 4.220 4.208 4.028 4.303 0.083 8 0 "[ . 1]" 1
1208 1 105 TYR QE 1 109 ASN HB2 3.780 . 3.780 3.173 2.604 3.662 . 0 0 "[ . 1]" 1
1209 1 105 TYR QE 1 116 GLY H 4.880 . 4.880 4.685 4.212 4.982 0.102 7 0 "[ . 1]" 1
1210 1 105 TYR QE 1 116 GLY HA2 3.710 . 3.710 2.736 2.239 3.101 . 0 0 "[ . 1]" 1
1211 1 105 TYR QE 1 116 GLY HA3 3.550 . 3.550 2.531 1.949 2.917 . 0 0 "[ . 1]" 1
1212 1 105 TYR QE 1 120 GLN HG2 3.920 . 3.920 3.599 3.175 4.003 0.083 8 0 "[ . 1]" 1
1213 1 105 TYR QE 1 120 GLN HG3 3.920 . 3.920 2.922 2.495 3.675 . 0 0 "[ . 1]" 1
1214 1 106 GLU H 1 106 GLU QB 3.510 . 3.510 2.293 2.194 2.686 . 0 0 "[ . 1]" 1
1215 1 106 GLU H 1 106 GLU QG 4.330 . 4.330 3.338 1.817 4.026 . 0 0 "[ . 1]" 1
1216 1 106 GLU H 1 107 THR H 3.890 . 3.890 2.793 2.702 3.046 . 0 0 "[ . 1]" 1
1217 1 106 GLU H 1 108 ILE H 4.880 . 4.880 4.246 3.791 4.571 . 0 0 "[ . 1]" 1
1218 1 106 GLU H 1 109 ASN H 4.670 . 4.670 4.593 4.422 4.733 0.063 6 0 "[ . 1]" 1
1219 1 106 GLU H 1 119 TYR QD 5.500 . 5.500 5.606 5.369 6.056 0.556 2 1 "[ + . 1]" 1
1220 1 106 GLU HA 1 106 GLU HG2 4.140 . 4.140 3.122 2.422 3.720 . 0 0 "[ . 1]" 1
1221 1 106 GLU HA 1 106 GLU QG 3.540 . 3.540 2.537 2.305 3.248 . 0 0 "[ . 1]" 1
1222 1 106 GLU HA 1 106 GLU HG3 4.140 . 4.140 2.781 2.416 3.683 . 0 0 "[ . 1]" 1
1223 1 106 GLU HA 1 109 ASN HB2 4.160 . 4.160 3.316 2.964 3.617 . 0 0 "[ . 1]" 1
1224 1 106 GLU HA 1 109 ASN HB3 4.500 . 4.500 2.568 2.330 2.778 . 0 0 "[ . 1]" 1
1225 1 106 GLU QB 1 108 ILE H 5.080 . 5.080 4.650 4.319 5.110 0.030 8 0 "[ . 1]" 1
1226 1 106 GLU QG 1 107 THR H 4.100 . 4.100 3.258 1.722 4.025 . 0 0 "[ . 1]" 1
1227 1 106 GLU QG 1 108 ILE H 5.340 . 5.340 5.109 4.245 5.646 0.306 3 0 "[ . 1]" 1
1228 1 107 THR H 1 107 THR HB 3.600 . 3.600 2.568 2.464 2.636 . 0 0 "[ . 1]" 1
1229 1 107 THR H 1 108 ILE H 3.720 . 3.720 2.780 2.638 3.100 . 0 0 "[ . 1]" 1
1230 1 107 THR H 1 109 ASN H 4.290 . 4.290 4.187 4.093 4.253 . 0 0 "[ . 1]" 1
1231 1 107 THR HA 1 107 THR MG 3.250 . 3.250 2.366 2.308 2.425 . 0 0 "[ . 1]" 1
1232 1 107 THR HA 1 108 ILE HA 5.050 . 5.050 4.764 4.731 4.783 . 0 0 "[ . 1]" 1
1233 1 107 THR HA 1 110 ARG HB3 3.920 . 3.920 3.156 2.854 3.324 . 0 0 "[ . 1]" 1
1234 1 107 THR HA 1 110 ARG QD 4.570 . 4.570 4.056 3.620 4.357 . 0 0 "[ . 1]" 1
1235 1 107 THR HB 1 108 ILE H 3.860 . 3.860 2.448 2.275 2.710 . 0 0 "[ . 1]" 1
1236 1 107 THR HB 1 108 ILE QG 4.480 . 4.480 3.376 3.156 4.378 . 0 0 "[ . 1]" 1
1237 1 107 THR MG 1 108 ILE QG 3.880 . 3.880 3.445 3.032 3.832 . 0 0 "[ . 1]" 1
1238 1 107 THR MG 1 110 ARG H 4.940 . 4.940 4.853 4.738 5.015 0.075 7 0 "[ . 1]" 1
1239 1 107 THR MG 1 110 ARG QD 4.350 . 4.350 4.267 3.578 4.480 0.130 7 0 "[ . 1]" 1
1240 1 107 THR MG 1 111 ALA H 4.520 . 4.520 4.181 4.027 4.431 . 0 0 "[ . 1]" 1
1241 1 108 ILE H 1 108 ILE HB 3.270 . 3.270 2.381 2.180 2.526 . 0 0 "[ . 1]" 1
1242 1 108 ILE H 1 108 ILE MD 3.750 . 3.750 3.486 3.024 3.741 . 0 0 "[ . 1]" 1
1243 1 108 ILE H 1 109 ASN H 3.720 . 3.720 2.695 2.549 2.775 . 0 0 "[ . 1]" 1
1244 1 108 ILE H 1 110 ARG H 4.560 . 4.560 4.218 4.014 4.388 . 0 0 "[ . 1]" 1
1245 1 108 ILE H 1 110 ARG HB3 5.500 . 5.500 5.366 5.122 5.504 0.004 1 0 "[ . 1]" 1
1246 1 108 ILE H 1 119 TYR QD 5.500 . 5.500 5.239 4.948 5.628 0.128 2 0 "[ . 1]" 1
1247 1 108 ILE HA 1 108 ILE HG12 3.910 . 3.910 2.542 2.379 3.040 . 0 0 "[ . 1]" 1
1248 1 108 ILE HA 1 108 ILE HG13 3.910 . 3.910 2.663 2.017 2.849 . 0 0 "[ . 1]" 1
1249 1 108 ILE HA 1 108 ILE MG 3.450 . 3.450 2.462 2.383 2.737 . 0 0 "[ . 1]" 1
1250 1 108 ILE HA 1 111 ALA HA 5.500 . 5.500 5.107 4.685 5.445 . 0 0 "[ . 1]" 1
1251 1 108 ILE HA 1 111 ALA MB 3.680 . 3.680 2.394 2.190 2.631 . 0 0 "[ . 1]" 1
1252 1 108 ILE HB 1 108 ILE MD 3.420 . 3.420 2.227 1.986 2.349 . 0 0 "[ . 1]" 1
1253 1 108 ILE MD 1 119 TYR H 4.480 . 4.480 4.280 3.982 4.652 0.172 3 0 "[ . 1]" 1
1254 1 108 ILE MD 1 119 TYR HA 4.260 . 4.260 3.923 3.483 4.359 0.099 4 0 "[ . 1]" 1
1255 1 108 ILE MD 1 119 TYR QB 3.750 . 3.750 2.113 1.892 2.382 . 0 0 "[ . 1]" 1
1256 1 108 ILE MD 1 119 TYR QD 3.600 . 3.600 2.551 1.804 3.036 . 0 0 "[ . 1]" 1
1257 1 108 ILE MD 1 119 TYR QE 3.880 . 3.880 3.531 3.183 3.807 . 0 0 "[ . 1]" 1
1258 1 108 ILE QG 1 111 ALA MB 4.210 . 4.210 3.805 3.513 4.148 . 0 0 "[ . 1]" 1
1259 1 108 ILE QG 1 119 TYR QB 4.960 . 4.960 3.821 2.882 4.199 . 0 0 "[ . 1]" 1
1260 1 108 ILE MG 1 109 ASN HB2 4.660 . 4.660 4.188 3.466 4.495 . 0 0 "[ . 1]" 1
1261 1 108 ILE MG 1 115 CYS HA 4.560 . 4.560 3.721 3.566 3.871 . 0 0 "[ . 1]" 1
1262 1 108 ILE MG 1 115 CYS HB2 3.990 . 3.990 2.447 1.936 3.180 . 0 0 "[ . 1]" 1
1263 1 108 ILE MG 1 115 CYS HB3 3.990 . 3.990 2.053 1.867 3.198 . 0 0 "[ . 1]" 1
1264 1 108 ILE MG 1 116 GLY HA2 4.620 . 4.620 2.272 1.911 2.979 . 0 0 "[ . 1]" 1
1265 1 108 ILE MG 1 116 GLY HA3 4.800 . 4.800 3.415 3.041 4.259 . 0 0 "[ . 1]" 1
1266 1 108 ILE MG 1 119 TYR QB 4.220 . 4.220 2.274 2.051 2.561 . 0 0 "[ . 1]" 1
1267 1 108 ILE MG 1 119 TYR QD 4.340 . 4.340 3.587 3.014 4.048 . 0 0 "[ . 1]" 1
1268 1 109 ASN H 1 109 ASN HB3 3.420 . 3.420 2.546 2.473 2.715 . 0 0 "[ . 1]" 1
1269 1 109 ASN H 1 110 ARG H 3.680 . 3.680 2.785 2.677 2.922 . 0 0 "[ . 1]" 1
1270 1 109 ASN H 1 111 ALA H 4.700 . 4.700 4.182 3.928 4.360 . 0 0 "[ . 1]" 1
1271 1 109 ASN HA 1 110 ARG HA 4.950 . 4.950 4.780 4.720 4.819 . 0 0 "[ . 1]" 1
1272 1 109 ASN HA 1 116 GLY H 4.530 . 4.530 2.763 2.307 3.324 . 0 0 "[ . 1]" 1
1273 1 109 ASN HA 1 116 GLY HA3 4.840 . 4.840 2.778 2.101 3.158 . 0 0 "[ . 1]" 1
1274 1 109 ASN HB2 1 116 GLY HA3 4.910 . 4.910 3.453 2.832 4.080 . 0 0 "[ . 1]" 1
1275 1 109 ASN HB3 1 116 GLY HA2 5.500 . 5.500 5.197 4.574 5.691 0.191 4 0 "[ . 1]" 1
1276 1 110 ARG H 1 110 ARG HB3 3.090 . 3.090 2.531 2.417 2.634 . 0 0 "[ . 1]" 1
1277 1 110 ARG H 1 111 ALA MB 4.220 . 4.220 4.210 4.032 4.290 0.070 8 0 "[ . 1]" 1
1278 1 110 ARG H 1 112 SER H 4.980 . 4.980 4.186 3.941 5.100 0.120 1 0 "[ . 1]" 1
1279 1 110 ARG HA 1 110 ARG QD 4.460 . 4.460 3.926 3.644 4.187 . 0 0 "[ . 1]" 1
1280 1 110 ARG HA 1 110 ARG HG2 3.910 . 3.910 2.750 2.272 3.168 . 0 0 "[ . 1]" 1
1281 1 110 ARG HA 1 110 ARG HG3 3.910 . 3.910 2.808 2.408 3.440 . 0 0 "[ . 1]" 1
1282 1 110 ARG HA 1 112 SER H 4.690 . 4.690 4.096 3.771 4.915 0.225 1 0 "[ . 1]" 1
1283 1 110 ARG HB2 1 110 ARG QD 3.920 . 3.920 2.806 2.382 3.148 . 0 0 "[ . 1]" 1
1284 1 110 ARG HB3 1 111 ALA H 3.530 . 3.530 2.559 2.390 2.878 . 0 0 "[ . 1]" 1
1285 1 110 ARG QG 1 111 ALA HA 4.400 . 4.400 3.879 3.381 4.393 . 0 0 "[ . 1]" 1
1286 1 111 ALA H 1 112 SER H 3.400 . 3.400 2.808 2.409 3.270 . 0 0 "[ . 1]" 1
1287 1 111 ALA H 1 112 SER HA 5.500 . 5.500 5.242 5.024 5.323 . 0 0 "[ . 1]" 1
1288 1 111 ALA MB 1 112 SER HA 4.450 . 4.450 4.353 4.114 4.424 . 0 0 "[ . 1]" 1
1289 1 111 ALA MB 1 112 SER QB 4.210 . 4.210 3.099 2.979 3.209 . 0 0 "[ . 1]" 1
1290 1 111 ALA MB 1 115 CYS QB 4.840 . 4.840 3.289 2.754 4.001 . 0 0 "[ . 1]" 1
1291 1 112 SER H 1 112 SER QB 3.670 . 3.670 2.939 2.748 3.053 . 0 0 "[ . 1]" 1
1292 1 112 SER H 1 114 ALA H 5.500 . 5.500 5.026 4.779 5.410 . 0 0 "[ . 1]" 1
1293 1 112 SER H 1 115 CYS H 4.830 . 4.830 4.338 3.808 4.839 0.009 4 0 "[ . 1]" 1
1294 1 112 SER H 1 115 CYS QB 5.100 . 5.100 3.397 2.807 4.659 . 0 0 "[ . 1]" 1
1295 1 112 SER HA 1 115 CYS H 5.500 . 5.500 4.545 4.248 5.120 . 0 0 "[ . 1]" 1
1296 1 112 SER QB 1 114 ALA MB 4.750 . 4.750 3.257 2.878 3.704 . 0 0 "[ . 1]" 1
1297 1 112 SER QB 1 115 CYS H 4.440 . 4.440 2.465 2.017 3.422 . 0 0 "[ . 1]" 1
1298 1 112 SER QB 1 115 CYS QB 3.690 . 3.690 2.813 2.169 3.647 . 0 0 "[ . 1]" 1
1299 1 112 SER HB2 1 115 CYS HB2 5.230 . 5.230 3.910 3.435 4.375 . 0 0 "[ . 1]" 1
1300 1 112 SER HB2 1 115 CYS HB3 5.230 . 5.230 4.880 3.297 5.449 0.219 1 0 "[ . 1]" 1
1301 1 112 SER HB3 1 115 CYS HB2 5.230 . 5.230 3.181 2.198 4.852 . 0 0 "[ . 1]" 1
1302 1 112 SER HB3 1 115 CYS HB3 5.230 . 5.230 4.274 3.684 5.329 0.099 1 0 "[ . 1]" 1
1303 1 113 LYS H 1 113 LYS QG 4.690 . 4.690 3.099 2.072 4.040 . 0 0 "[ . 1]" 1
1304 1 113 LYS HA 1 113 LYS HG2 4.100 . 4.100 2.964 2.091 3.621 . 0 0 "[ . 1]" 1
1305 1 113 LYS HA 1 113 LYS HG3 4.100 . 4.100 3.195 2.047 4.227 0.127 5 0 "[ . 1]" 1
1306 1 113 LYS QB 1 114 ALA H 4.090 . 4.090 3.341 2.977 3.938 . 0 0 "[ . 1]" 1
1307 1 113 LYS QB 1 115 CYS H 5.250 . 5.250 4.904 4.632 5.289 0.039 1 0 "[ . 1]" 1
1308 1 114 ALA H 1 115 CYS H 4.100 . 4.100 2.292 2.179 2.464 . 0 0 "[ . 1]" 1
1309 1 114 ALA HA 1 117 PRO QD 4.280 . 4.280 3.126 2.831 3.877 . 0 0 "[ . 1]" 1
1310 1 114 ALA HA 1 117 PRO QG 4.300 . 4.300 2.501 2.298 3.135 . 0 0 "[ . 1]" 1
1311 1 114 ALA MB 1 117 PRO QD 4.600 . 4.600 4.193 3.974 4.783 0.183 8 0 "[ . 1]" 1
1312 1 114 ALA MB 1 118 LEU HB2 4.630 . 4.630 4.850 4.509 5.247 0.617 1 1 "[+ . 1]" 1
1313 1 114 ALA MB 1 118 LEU MD2 4.130 . 4.130 3.850 3.353 4.291 0.161 1 0 "[ . 1]" 1
1314 1 115 CYS H 1 115 CYS QB 3.620 . 3.620 2.397 2.102 2.766 . 0 0 "[ . 1]" 1
1315 1 115 CYS H 1 116 GLY H 3.820 . 3.820 2.656 2.553 2.697 . 0 0 "[ . 1]" 1
1316 1 115 CYS H 1 116 GLY HA2 5.500 . 5.500 5.225 5.117 5.269 . 0 0 "[ . 1]" 1
1317 1 115 CYS H 1 116 GLY HA3 5.110 . 5.110 4.809 4.676 4.874 . 0 0 "[ . 1]" 1
1318 1 115 CYS H 1 117 PRO QD 4.310 . 4.310 3.357 3.248 3.630 . 0 0 "[ . 1]" 1
1319 1 115 CYS H 1 117 PRO QG 5.390 . 5.390 4.520 4.189 4.779 . 0 0 "[ . 1]" 1
1320 1 115 CYS HA 1 118 LEU HB2 4.400 . 4.400 2.399 2.068 2.564 . 0 0 "[ . 1]" 1
1321 1 115 CYS HA 1 118 LEU HB3 4.060 . 4.060 3.624 2.971 3.975 . 0 0 "[ . 1]" 1
1322 1 115 CYS HA 1 118 LEU MD1 5.110 . 5.110 4.962 4.685 5.141 0.031 9 0 "[ . 1]" 1
1323 1 115 CYS HA 1 118 LEU MD2 4.870 . 4.870 3.736 3.633 3.857 . 0 0 "[ . 1]" 1
1324 1 115 CYS HA 1 118 LEU HG 3.660 . 3.660 3.901 3.726 4.065 0.405 9 0 "[ . 1]" 1
1325 1 115 CYS QB 1 116 GLY H 4.430 . 4.430 2.451 2.199 3.069 . 0 0 "[ . 1]" 1
1326 1 116 GLY H 1 117 PRO QD 3.510 . 3.510 2.461 2.412 2.625 . 0 0 "[ . 1]" 1
1327 1 116 GLY H 1 117 PRO QG 4.310 . 4.310 4.353 4.162 4.483 0.173 3 0 "[ . 1]" 1
1328 1 116 GLY H 1 118 LEU H 4.770 . 4.770 4.178 4.127 4.234 . 0 0 "[ . 1]" 1
1329 1 116 GLY H 1 119 TYR H 5.210 . 5.210 4.773 4.720 4.836 . 0 0 "[ . 1]" 1
1330 1 116 GLY HA2 1 117 PRO QD 4.080 . 4.080 3.452 3.410 3.474 . 0 0 "[ . 1]" 1
1331 1 116 GLY HA2 1 119 TYR H 4.590 . 4.590 3.609 3.398 3.837 . 0 0 "[ . 1]" 1
1332 1 116 GLY HA3 1 118 LEU H 4.240 . 4.240 4.354 4.222 4.408 0.168 3 0 "[ . 1]" 1
1333 1 117 PRO HA 1 120 GLN H 4.130 . 4.130 3.785 3.653 3.931 . 0 0 "[ . 1]" 1
1334 1 117 PRO HA 1 120 GLN HG2 4.710 . 4.710 4.810 4.472 5.104 0.394 2 0 "[ . 1]" 1
1335 1 117 PRO HA 1 120 GLN QG 4.150 . 4.150 3.694 3.389 3.964 . 0 0 "[ . 1]" 1
1336 1 117 PRO HA 1 120 GLN HG3 4.710 . 4.710 3.851 3.456 4.198 . 0 0 "[ . 1]" 1
1337 1 117 PRO QD 1 118 LEU H 3.980 . 3.980 2.999 2.835 3.161 . 0 0 "[ . 1]" 1
1338 1 117 PRO QG 1 118 LEU H 3.630 . 3.630 3.326 2.541 3.828 0.198 9 0 "[ . 1]" 1
1339 1 118 LEU H 1 118 LEU MD1 5.110 . 5.110 4.135 4.096 4.158 . 0 0 "[ . 1]" 1
1340 1 118 LEU H 1 119 TYR H 3.870 . 3.870 2.667 2.642 2.698 . 0 0 "[ . 1]" 1
1341 1 118 LEU H 1 120 GLN H 4.310 . 4.310 4.036 3.738 4.221 . 0 0 "[ . 1]" 1
1342 1 118 LEU H 1 121 TRP HB3 5.480 . 5.480 4.840 4.632 5.196 . 0 0 "[ . 1]" 1
1343 1 118 LEU HA 1 118 LEU MD1 3.390 . 3.390 2.025 1.979 2.109 . 0 0 "[ . 1]" 1
1344 1 118 LEU HA 1 118 LEU MD2 3.440 . 3.440 2.011 1.982 2.076 . 0 0 "[ . 1]" 1
1345 1 118 LEU HA 1 121 TRP H 3.850 . 3.850 3.373 3.054 3.502 . 0 0 "[ . 1]" 1
1346 1 118 LEU HA 1 121 TRP HB2 4.620 . 4.620 3.706 3.452 4.097 . 0 0 "[ . 1]" 1
1347 1 118 LEU HA 1 121 TRP HB3 4.120 . 4.120 2.423 2.311 2.535 . 0 0 "[ . 1]" 1
1348 1 118 LEU HA 1 121 TRP HE3 4.440 . 4.440 3.165 2.815 3.810 . 0 0 "[ . 1]" 1
1349 1 118 LEU MD1 1 119 TYR HA 4.480 . 4.480 4.494 4.170 4.634 0.154 4 0 "[ . 1]" 1
1350 1 118 LEU MD1 1 119 TYR QB 5.340 . 5.340 5.268 5.058 5.367 0.027 1 0 "[ . 1]" 1
1351 1 118 LEU MD1 1 121 TRP HB3 4.410 . 4.410 2.945 2.386 3.192 . 0 0 "[ . 1]" 1
1352 1 118 LEU MD1 1 121 TRP HE3 4.070 . 4.070 2.217 2.034 2.631 . 0 0 "[ . 1]" 1
1353 1 119 TYR H 1 119 TYR HB2 3.840 . 3.840 2.686 2.592 2.845 . 0 0 "[ . 1]" 1
1354 1 119 TYR H 1 119 TYR QB 3.350 . 3.350 2.236 2.169 2.268 . 0 0 "[ . 1]" 1
1355 1 119 TYR H 1 119 TYR HB3 3.840 . 3.840 2.402 2.249 2.483 . 0 0 "[ . 1]" 1
1356 1 119 TYR H 1 119 TYR QD 4.320 . 4.320 4.152 4.080 4.175 . 0 0 "[ . 1]" 1
1357 1 119 TYR HA 1 119 TYR QD 3.640 . 3.640 2.337 1.937 3.067 . 0 0 "[ . 1]" 1
1358 1 119 TYR HA 1 119 TYR QE 4.980 . 4.980 4.520 4.312 4.799 . 0 0 "[ . 1]" 1
1359 1 119 TYR HA 1 122 VAL HB 4.830 . 4.830 3.475 2.539 4.627 . 0 0 "[ . 1]" 1
1360 1 119 TYR HA 1 122 VAL MG1 4.340 . 4.340 3.173 1.950 4.620 0.280 1 0 "[ . 1]" 1
1361 1 119 TYR HA 1 122 VAL QG 3.750 . 3.750 2.664 1.948 3.229 . 0 0 "[ . 1]" 1
1362 1 119 TYR HA 1 122 VAL MG2 4.340 . 4.340 3.843 2.254 4.471 0.131 10 0 "[ . 1]" 1
1363 1 119 TYR QB 1 120 GLN QG 5.180 . 5.180 3.523 3.210 3.951 . 0 0 "[ . 1]" 1
1364 1 119 TYR QB 1 122 VAL QG 4.300 . 4.300 4.081 3.609 4.557 0.257 2 0 "[ . 1]" 1
1365 1 119 TYR HB2 1 120 GLN H 4.350 . 4.350 3.953 3.755 4.402 0.052 9 0 "[ . 1]" 1
1366 1 119 TYR HB3 1 120 GLN H 4.350 . 4.350 2.635 2.344 3.326 . 0 0 "[ . 1]" 1
1367 1 119 TYR QD 1 120 GLN H 3.920 . 3.920 3.650 2.684 3.998 0.078 9 0 "[ . 1]" 1
1368 1 119 TYR QD 1 120 GLN QG 3.760 . 3.760 3.179 2.337 3.756 . 0 0 "[ . 1]" 1
1369 1 119 TYR QD 1 122 VAL QG 4.590 . 4.590 3.024 2.189 4.426 . 0 0 "[ . 1]" 1
1370 1 120 GLN H 1 120 GLN QG 3.760 . 3.760 2.569 2.044 3.226 . 0 0 "[ . 1]" 1
1371 1 121 TRP H 1 122 VAL H 3.640 . 3.640 2.823 2.774 2.915 . 0 0 "[ . 1]" 1
1372 1 121 TRP HA 1 121 TRP HD1 4.290 . 4.290 3.150 2.980 3.409 . 0 0 "[ . 1]" 1
1373 1 121 TRP HB2 1 121 TRP HE3 4.160 . 4.160 4.080 4.010 4.122 . 0 0 "[ . 1]" 1
1374 1 121 TRP HB3 1 121 TRP HE3 4.100 . 4.100 2.540 2.455 2.595 . 0 0 "[ . 1]" 1
1375 1 121 TRP HB3 1 121 TRP HZ3 4.910 . 4.910 4.964 4.886 5.003 0.093 10 0 "[ . 1]" 1
1376 1 121 TRP HD1 1 122 VAL H 5.360 . 5.360 5.217 5.017 5.359 . 0 0 "[ . 1]" 1
1377 1 121 TRP HE1 1 122 VAL HA 5.500 . 5.500 5.214 4.666 5.532 0.032 8 0 "[ . 1]" 1
1378 1 121 TRP HE1 1 122 VAL QG 5.440 . 5.440 5.479 5.202 5.849 0.409 6 0 "[ . 1]" 1
1379 1 121 TRP HE3 1 122 VAL H 4.140 . 4.140 2.366 2.094 2.641 . 0 0 "[ . 1]" 1
1380 1 121 TRP HE3 1 122 VAL HA 4.600 . 4.600 3.509 3.336 3.707 . 0 0 "[ . 1]" 1
1381 1 121 TRP HE3 1 122 VAL QG 3.400 . 3.400 2.545 1.871 3.089 . 0 0 "[ . 1]" 1
1382 1 121 TRP HH2 1 122 VAL HA 5.500 . 5.500 4.697 4.446 4.920 . 0 0 "[ . 1]" 1
1383 1 121 TRP HZ2 1 122 VAL QG 4.800 . 4.800 4.557 4.108 5.010 0.210 6 0 "[ . 1]" 1
1384 1 121 TRP HZ3 1 122 VAL QG 4.980 . 4.980 2.457 1.929 3.168 . 0 0 "[ . 1]" 1
1385 1 122 VAL H 1 122 VAL QG 3.240 . 3.240 2.308 1.653 2.910 . 0 0 "[ . 1]" 1
1386 1 122 VAL H 1 123 ASN H 3.940 . 3.940 2.712 2.582 2.897 . 0 0 "[ . 1]" 1
1387 1 122 VAL HA 1 122 VAL MG1 3.670 . 3.670 2.825 1.952 3.229 . 0 0 "[ . 1]" 1
1388 1 122 VAL HA 1 122 VAL MG2 3.670 . 3.670 2.278 2.021 3.053 . 0 0 "[ . 1]" 1
1389 1 122 VAL HA 1 125 GLN H 4.250 . 4.250 3.407 3.240 3.682 . 0 0 "[ . 1]" 1
1390 1 122 VAL HA 1 125 GLN QB 4.770 . 4.770 2.893 2.424 3.269 . 0 0 "[ . 1]" 1
1391 1 122 VAL HB 1 123 ASN H 3.550 . 3.550 3.114 2.251 3.820 0.270 6 0 "[ . 1]" 1
1392 1 122 VAL QG 1 123 ASN H 4.110 . 4.110 2.183 1.750 2.936 . 0 0 "[ . 1]" 1
1393 1 122 VAL QG 1 123 ASN HA 4.180 . 4.180 3.002 2.804 4.060 . 0 0 "[ . 1]" 1
1394 1 122 VAL QG 1 123 ASN QB 5.280 . 5.280 3.240 2.822 4.283 . 0 0 "[ . 1]" 1
1395 1 122 VAL QG 1 124 ALA H 4.700 . 4.700 4.145 3.701 4.484 . 0 0 "[ . 1]" 1
1396 1 123 ASN H 1 123 ASN QB 3.540 . 3.540 2.273 2.177 2.518 . 0 0 "[ . 1]" 1
1397 1 123 ASN H 1 124 ALA H 3.880 . 3.880 2.810 2.601 3.072 . 0 0 "[ . 1]" 1
1398 1 123 ASN HA 1 126 ILE HA 5.320 . 5.320 5.284 5.166 5.348 0.028 6 0 "[ . 1]" 1
1399 1 123 ASN HA 1 126 ILE HB 4.210 . 4.210 2.569 2.272 3.195 . 0 0 "[ . 1]" 1
1400 1 123 ASN HA 1 126 ILE MD 4.220 . 4.220 4.067 2.533 4.794 0.574 1 3 "[+ . * -]" 1
1401 1 123 ASN HA 1 126 ILE QG 3.660 . 3.660 3.328 2.419 3.803 0.143 4 0 "[ . 1]" 1
1402 1 123 ASN QB 1 124 ALA H 3.920 . 3.920 2.566 2.361 2.688 . 0 0 "[ . 1]" 1
1403 1 123 ASN QB 1 126 ILE H 5.340 . 5.340 4.839 4.611 5.030 . 0 0 "[ . 1]" 1
1404 1 123 ASN QB 1 126 ILE HB 4.330 . 4.330 4.380 4.029 4.554 0.224 4 0 "[ . 1]" 1
1405 1 123 ASN HB2 1 126 ILE HB 5.110 . 5.110 4.940 4.477 5.295 0.185 5 0 "[ . 1]" 1
1406 1 123 ASN HB2 1 126 ILE MG 5.500 . 5.500 5.507 4.893 6.152 0.652 5 1 "[ + 1]" 1
1407 1 123 ASN HB3 1 126 ILE HB 5.110 . 5.110 4.953 4.177 5.144 0.034 4 0 "[ . 1]" 1
1408 1 123 ASN HB3 1 126 ILE MG 5.500 . 5.500 5.614 4.949 5.812 0.312 7 0 "[ . 1]" 1
1409 1 124 ALA H 1 125 GLN H 3.900 . 3.900 2.676 2.621 2.790 . 0 0 "[ . 1]" 1
1410 1 124 ALA HA 1 125 GLN HA 4.950 . 4.950 4.760 4.709 4.795 . 0 0 "[ . 1]" 1
1411 1 124 ALA HA 1 126 ILE H 4.470 . 4.470 3.499 3.413 3.601 . 0 0 "[ . 1]" 1
1412 1 125 GLN H 1 125 GLN QB 3.650 . 3.650 2.188 2.105 2.301 . 0 0 "[ . 1]" 1
1413 1 125 GLN H 1 125 GLN QG 4.260 . 4.260 3.437 2.701 4.033 . 0 0 "[ . 1]" 1
1414 1 125 GLN H 1 126 ILE H 4.290 . 4.290 2.706 2.628 2.805 . 0 0 "[ . 1]" 1
1415 1 125 GLN H 1 126 ILE HA 5.500 . 5.500 5.185 5.126 5.282 . 0 0 "[ . 1]" 1
1416 1 125 GLN HA 1 125 GLN QG 3.640 . 3.640 2.574 2.071 3.388 . 0 0 "[ . 1]" 1
1417 1 125 GLN HA 1 128 PHE QB 3.920 . 3.920 3.370 2.819 4.721 0.801 4 1 "[ +. 1]" 1
1418 1 126 ILE H 1 126 ILE HB 3.950 . 3.950 2.285 2.237 2.314 . 0 0 "[ . 1]" 1
1419 1 126 ILE H 1 126 ILE MD 4.390 . 4.390 4.175 3.956 4.481 0.091 6 0 "[ . 1]" 1
1420 1 126 ILE HA 1 126 ILE MD 3.880 . 3.880 2.631 1.973 3.716 . 0 0 "[ . 1]" 1
1421 1 126 ILE HA 1 126 ILE HG12 4.030 . 4.030 2.383 2.070 2.727 . 0 0 "[ . 1]" 1
1422 1 126 ILE HA 1 126 ILE QG 3.530 . 3.530 2.312 2.054 2.648 . 0 0 "[ . 1]" 1
1423 1 126 ILE HA 1 126 ILE HG13 4.030 . 4.030 3.271 2.512 3.633 . 0 0 "[ . 1]" 1
1424 1 126 ILE HA 1 126 ILE MG 3.550 . 3.550 2.622 2.513 2.866 . 0 0 "[ . 1]" 1
1425 1 126 ILE QG 1 126 ILE MG 3.030 . 3.030 2.413 2.269 2.629 . 0 0 "[ . 1]" 1
1426 1 126 ILE QG 1 127 ASN H 5.110 . 5.110 4.240 4.039 4.519 . 0 0 "[ . 1]" 1
1427 1 126 ILE HG12 1 126 ILE MG 3.460 . 3.460 2.947 2.394 3.194 . 0 0 "[ . 1]" 1
1428 1 126 ILE HG13 1 126 ILE MG 3.460 . 3.460 2.741 2.321 3.223 . 0 0 "[ . 1]" 1
1429 1 126 ILE MG 1 127 ASN HA 4.430 . 4.430 3.103 2.827 3.955 . 0 0 "[ . 1]" 1
1430 1 126 ILE MG 1 127 ASN QB 4.490 . 4.490 3.199 2.347 3.811 . 0 0 "[ . 1]" 1
1431 1 126 ILE MG 1 130 LYS QD 3.880 . 3.880 3.684 3.208 4.100 0.220 8 0 "[ . 1]" 1
1432 1 126 ILE MG 1 130 LYS QE 3.910 . 3.910 3.262 2.272 4.043 0.133 5 0 "[ . 1]" 1
1433 1 127 ASN H 1 127 ASN QB 3.390 . 3.390 2.451 2.232 3.149 . 0 0 "[ . 1]" 1
1434 1 127 ASN H 1 128 PHE H 4.350 . 4.350 3.012 2.461 4.457 0.107 4 0 "[ . 1]" 1
1435 1 127 ASN H 1 129 SER H 4.780 . 4.780 4.284 3.922 5.077 0.297 5 0 "[ . 1]" 1
1436 1 127 ASN H 1 130 LYS QG 4.800 . 4.800 4.517 4.291 4.842 0.042 10 0 "[ . 1]" 1
1437 1 127 ASN HA 1 129 SER H 4.600 . 4.600 4.308 3.924 4.782 0.182 8 0 "[ . 1]" 1
1438 1 127 ASN HA 1 130 LYS QB 4.460 . 4.460 3.600 2.892 4.266 . 0 0 "[ . 1]" 1
1439 1 127 ASN HA 1 130 LYS QD 4.230 . 4.230 3.325 2.099 4.332 0.102 9 0 "[ . 1]" 1
1440 1 127 ASN HA 1 130 LYS QG 4.530 . 4.530 2.516 2.119 2.981 . 0 0 "[ . 1]" 1
1441 1 127 ASN QB 1 129 SER H 5.310 . 5.310 4.877 4.479 5.371 0.061 5 0 "[ . 1]" 1
1442 1 127 ASN QB 1 130 LYS QG 4.420 . 4.420 4.178 3.267 4.663 0.243 8 0 "[ . 1]" 1
1443 1 128 PHE H 1 129 SER H 4.440 . 4.440 2.818 2.340 3.655 . 0 0 "[ . 1]" 1
1444 1 128 PHE H 1 130 LYS QG 4.720 . 4.720 4.011 2.208 4.726 0.006 10 0 "[ . 1]" 1
1445 1 128 PHE HA 1 128 PHE QD 4.050 . 4.050 2.431 1.946 2.936 . 0 0 "[ . 1]" 1
1446 1 128 PHE HA 1 130 LYS QG 5.340 . 5.340 4.743 3.935 5.453 0.113 10 0 "[ . 1]" 1
1447 1 128 PHE HA 1 131 CYS QB 4.880 . 4.880 3.428 2.080 4.866 . 0 0 "[ . 1]" 1
1448 1 130 LYS H 1 131 CYS H 3.780 . 3.780 1.922 1.704 2.422 . 0 0 "[ . 1]" 1
1449 1 130 LYS HA 1 130 LYS QD 4.810 . 4.810 3.511 2.043 4.282 . 0 0 "[ . 1]" 1
1450 1 130 LYS HA 1 130 LYS QG 3.590 . 3.590 2.694 2.303 3.292 . 0 0 "[ . 1]" 1
1451 1 130 LYS HA 1 131 CYS HA 5.020 . 5.020 4.825 4.739 4.891 . 0 0 "[ . 1]" 1
1452 1 130 LYS QB 1 130 LYS QE 3.770 . 3.770 2.792 2.042 3.651 . 0 0 "[ . 1]" 1
1453 1 130 LYS QB 1 131 CYS H 4.190 . 4.190 3.066 2.319 3.750 . 0 0 "[ . 1]" 1
1454 1 131 CYS H 1 131 CYS QB 3.550 . 3.550 2.360 2.092 2.555 . 0 0 "[ . 1]" 1
1455 1 131 CYS QB 1 132 LEU H 4.250 . 4.250 3.075 2.462 3.576 . 0 0 "[ . 1]" 1
1456 1 132 LEU H 1 133 GLU H 3.900 . 3.900 2.421 1.869 2.722 . 0 0 "[ . 1]" 1
1457 1 132 LEU H 1 133 GLU HA 5.310 . 5.310 4.932 4.115 5.327 0.017 6 0 "[ . 1]" 1
1458 1 132 LEU H 1 133 GLU QB 4.820 . 4.820 4.470 4.007 4.975 0.155 9 0 "[ . 1]" 1
1459 1 132 LEU HA 1 132 LEU QD 3.430 . 3.430 2.324 1.992 3.354 . 0 0 "[ . 1]" 1
1460 1 132 LEU HA 1 134 ASN H 5.270 . 5.270 4.469 3.606 5.488 0.218 9 0 "[ . 1]" 1
1461 1 132 LEU QB 1 133 GLU HA 4.720 . 4.720 4.469 3.971 4.818 0.098 4 0 "[ . 1]" 1
1462 1 132 LEU HG 1 133 GLU H 4.590 . 4.590 4.215 2.308 4.635 0.045 1 0 "[ . 1]" 1
1463 1 133 GLU H 1 133 GLU QB 3.230 . 3.230 2.637 2.255 3.111 . 0 0 "[ . 1]" 1
1464 1 133 GLU H 1 133 GLU QG 4.060 . 4.060 3.779 3.180 4.229 0.169 10 0 "[ . 1]" 1
1465 1 133 GLU H 1 134 ASN H 3.710 . 3.710 2.728 1.687 3.809 0.099 10 0 "[ . 1]" 1
1466 1 133 GLU H 1 134 ASN HA 5.270 . 5.270 4.880 4.005 5.565 0.295 5 0 "[ . 1]" 1
1467 1 133 GLU H 1 134 ASN QB 4.900 . 4.900 4.475 3.656 5.045 0.145 5 0 "[ . 1]" 1
1468 1 133 GLU HA 1 134 ASN QB 5.030 . 5.030 4.575 3.727 5.246 0.216 2 0 "[ . 1]" 1
1469 1 134 ASN H 1 134 ASN HB2 3.920 . 3.920 2.959 2.030 3.562 . 0 0 "[ . 1]" 1
1470 1 134 ASN H 1 134 ASN HB3 3.920 . 3.920 3.531 2.364 4.012 0.092 6 0 "[ . 1]" 1
1471 1 134 ASN QB 1 135 VAL H 4.020 . 4.020 2.477 1.769 3.133 . 0 0 "[ . 1]" 1
1472 1 134 ASN QB 1 135 VAL QG 4.870 . 4.870 3.638 2.229 4.413 . 0 0 "[ . 1]" 1
1473 1 134 ASN QB 1 136 ASP H 4.190 . 4.190 3.900 2.890 4.791 0.601 9 1 "[ . +1]" 1
1474 1 134 ASN HB2 1 135 VAL H 4.570 . 4.570 3.319 1.976 4.276 . 0 0 "[ . 1]" 1
1475 1 134 ASN HB3 1 135 VAL H 4.570 . 4.570 2.814 1.996 3.432 . 0 0 "[ . 1]" 1
1476 1 135 VAL H 1 136 ASP H 3.900 . 3.900 2.923 1.702 4.124 0.224 1 0 "[ . 1]" 1
1477 1 135 VAL HA 1 135 VAL MG1 3.740 . 3.740 2.772 2.215 3.213 . 0 0 "[ . 1]" 1
1478 1 135 VAL HA 1 135 VAL MG2 3.740 . 3.740 2.556 2.172 3.191 . 0 0 "[ . 1]" 1
1479 1 135 VAL QG 1 136 ASP HA 4.820 . 4.820 3.674 3.348 4.503 . 0 0 "[ . 1]" 1
1480 1 135 VAL QG 1 136 ASP QB 5.280 . 5.280 4.138 3.098 4.646 . 0 0 "[ . 1]" 1
1481 1 135 VAL QG 1 137 PRO QD 4.690 . 4.690 4.148 3.285 5.072 0.382 4 0 "[ . 1]" 1
1482 1 136 ASP H 1 136 ASP QB 3.450 . 3.450 2.418 2.242 2.923 . 0 0 "[ . 1]" 1
1483 1 136 ASP HA 1 137 PRO QD 3.060 . 3.060 2.006 1.931 2.146 . 0 0 "[ . 1]" 1
1484 1 136 ASP HA 1 137 PRO QG 4.450 . 4.450 3.922 3.824 4.032 . 0 0 "[ . 1]" 1
1485 1 136 ASP QB 1 137 PRO QD 3.860 . 3.860 2.730 1.841 3.596 . 0 0 "[ . 1]" 1
1486 1 136 ASP QB 1 137 PRO QG 5.110 . 5.110 4.368 2.990 5.258 0.148 3 0 "[ . 1]" 1
1487 1 137 PRO QB 1 138 LEU H 3.400 . 3.400 2.890 2.567 3.169 . 0 0 "[ . 1]" 1
1488 1 138 LEU H 1 138 LEU QB 3.210 . 3.210 2.415 2.078 2.829 . 0 0 "[ . 1]" 1
1489 1 138 LEU H 1 138 LEU QD 4.260 . 4.260 3.280 2.295 4.007 . 0 0 "[ . 1]" 1
1490 1 138 LEU H 1 139 ARG H 4.610 . 4.610 4.356 3.904 4.635 0.025 1 0 "[ . 1]" 1
1491 1 138 LEU HA 1 138 LEU QD 3.660 . 3.660 2.197 1.799 3.054 . 0 0 "[ . 1]" 1
1492 1 138 LEU HA 1 139 ARG H 3.320 . 3.320 2.233 2.140 2.491 . 0 0 "[ . 1]" 1
1493 1 138 LEU QD 1 139 ARG H 4.430 . 4.430 3.070 2.221 4.490 0.060 8 0 "[ . 1]" 1
1494 1 138 LEU QD 1 139 ARG HA 5.230 . 5.230 4.602 3.231 5.327 0.097 8 0 "[ . 1]" 1
1495 1 139 ARG H 1 139 ARG QG 5.100 . 5.100 2.759 1.954 4.161 . 0 0 "[ . 1]" 1
1496 1 139 ARG QG 1 140 GLN H 4.700 . 4.700 3.479 1.887 4.736 0.036 4 0 "[ . 1]" 1
1497 1 140 GLN HA 1 141 GLU HA 4.440 . 4.440 4.401 4.342 4.462 0.022 1 0 "[ . 1]" 1
1498 1 140 GLN HA 1 141 GLU QB 4.440 . 4.440 4.209 3.918 4.445 0.005 8 0 "[ . 1]" 1
1499 1 140 GLN QB 1 141 GLU H 4.100 . 4.100 3.555 2.956 3.976 . 0 0 "[ . 1]" 1
1500 1 141 GLU H 1 141 GLU QB 3.570 . 3.570 2.843 2.344 3.322 . 0 0 "[ . 1]" 1
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