NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
525722 |
2l80   |
17388 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2l80
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 1279
_Distance_constraint_stats_list.Viol_count 1099
_Distance_constraint_stats_list.Viol_total 1339.343
_Distance_constraint_stats_list.Viol_max 0.987
_Distance_constraint_stats_list.Viol_rms 0.0572
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0105
_Distance_constraint_stats_list.Viol_average_violations_only 0.1219
_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 3 VAL 0.846 0.200 4 0 "[ . 1]"
1 4 SER 0.770 0.317 8 0 "[ . 1]"
1 5 LYS 7.449 0.564 7 2 "[ . + -]"
1 6 TYR 0.698 0.138 8 0 "[ . 1]"
1 7 ALA 0.186 0.059 2 0 "[ . 1]"
1 8 ASN 0.914 0.312 7 0 "[ . 1]"
1 9 ASN 1.341 0.344 8 0 "[ . 1]"
1 10 LEU 6.033 0.633 2 1 "[ + . 1]"
1 11 THR 0.121 0.055 1 0 "[ . 1]"
1 12 GLN 0.713 0.067 2 0 "[ . 1]"
1 13 LEU 1.301 0.157 10 0 "[ . 1]"
1 14 ASP 0.350 0.099 5 0 "[ . 1]"
1 15 ASN 0.130 0.059 7 0 "[ . 1]"
1 16 GLY 0.071 0.059 6 0 "[ . 1]"
1 17 VAL 0.799 0.130 3 0 "[ . 1]"
1 18 ARG 0.000 0.000 . 0 "[ . 1]"
1 19 ILE 0.508 0.130 1 0 "[ . 1]"
1 20 PRO 2.513 0.130 1 0 "[ . 1]"
1 21 PRO 1.169 0.148 2 0 "[ . 1]"
1 22 SER 2.273 0.182 3 0 "[ . 1]"
1 23 GLY 0.000 0.000 . 0 "[ . 1]"
1 24 TRP 3.781 0.526 2 1 "[ + . 1]"
1 25 LYS 0.856 0.156 10 0 "[ . 1]"
1 26 CYS 1.044 0.114 9 0 "[ . 1]"
1 27 ALA 0.000 0.000 . 0 "[ . 1]"
1 28 ARG 9.737 0.720 6 7 "[* ***+- *1]"
1 29 CYS 1.373 0.154 9 0 "[ . 1]"
1 30 ASP 2.235 0.559 8 1 "[ . + 1]"
1 31 LEU 1.036 0.100 7 0 "[ . 1]"
1 32 ARG 10.022 0.901 10 3 "[- .* +]"
1 33 GLU 6.853 0.612 7 2 "[ . +- 1]"
1 34 ASN 2.312 0.324 6 0 "[ . 1]"
1 35 LEU 0.996 0.120 4 0 "[ . 1]"
1 36 TRP 0.123 0.075 6 0 "[ . 1]"
1 37 LEU 1.815 0.315 8 0 "[ . 1]"
1 38 ASN 0.090 0.068 7 0 "[ . 1]"
1 39 LEU 1.551 0.633 2 1 "[ + . 1]"
1 40 THR 3.021 0.487 8 0 "[ . 1]"
1 41 ASP 0.906 0.157 10 0 "[ . 1]"
1 42 GLY 0.034 0.034 9 0 "[ . 1]"
1 43 SER 0.611 0.081 4 0 "[ . 1]"
1 44 VAL 0.000 0.000 . 0 "[ . 1]"
1 45 LEU 4.698 0.434 2 0 "[ . 1]"
1 46 CYS 3.310 0.541 1 1 "[+ . 1]"
1 47 GLY 0.497 0.222 4 0 "[ . 1]"
1 55 GLY 0.030 0.030 6 0 "[ . 1]"
1 56 GLY 0.647 0.106 10 0 "[ . 1]"
1 57 ASN 0.054 0.033 4 0 "[ . 1]"
1 58 GLY 0.000 0.000 . 0 "[ . 1]"
1 59 HIS 7.288 0.541 1 1 "[+ . 1]"
1 60 ALA 0.893 0.099 4 0 "[ . 1]"
1 61 LEU 6.103 0.666 9 2 "[- . +1]"
1 62 GLU 4.228 0.615 1 1 "[+ . 1]"
1 63 HIS 0.727 0.091 5 0 "[ . 1]"
1 64 TYR 1.755 0.666 9 1 "[ . +1]"
1 65 ARG 4.149 0.784 4 2 "[ - +. 1]"
1 66 ASP 0.000 0.000 . 0 "[ . 1]"
1 67 MET 0.388 0.255 5 0 "[ . 1]"
1 68 GLY 0.114 0.060 5 0 "[ . 1]"
1 69 TYR 4.475 0.487 8 0 "[ . 1]"
1 70 PRO 3.692 0.238 3 0 "[ . 1]"
1 71 LEU 0.145 0.138 8 0 "[ . 1]"
1 72 ALA 0.662 0.123 7 0 "[ . 1]"
1 73 VAL 0.072 0.042 1 0 "[ . 1]"
1 74 LYS 2.662 0.586 4 1 "[ +. 1]"
1 75 LEU 5.054 0.354 8 0 "[ . 1]"
1 76 GLY 0.992 0.175 6 0 "[ . 1]"
1 77 THR 0.677 0.586 4 1 "[ +. 1]"
1 78 ILE 0.174 0.057 10 0 "[ . 1]"
1 79 THR 1.047 0.120 10 0 "[ . 1]"
1 80 PRO 2.344 0.223 1 0 "[ . 1]"
1 81 ASP 1.338 0.293 8 0 "[ . 1]"
1 82 GLY 0.598 0.087 7 0 "[ . 1]"
1 83 ALA 0.407 0.099 1 0 "[ . 1]"
1 84 ASP 0.421 0.392 4 0 "[ . 1]"
1 85 VAL 0.526 0.345 3 0 "[ . 1]"
1 86 TYR 0.595 0.151 4 0 "[ . 1]"
1 87 SER 0.692 0.278 4 0 "[ . 1]"
1 88 PHE 1.252 0.355 5 0 "[ . 1]"
1 89 GLN 0.970 0.562 4 1 "[ +. 1]"
1 90 GLU 1.047 0.278 4 0 "[ . 1]"
1 91 GLU 1.862 0.532 5 1 "[ + 1]"
1 92 GLU 3.668 0.876 2 2 "[-+ . 1]"
1 93 PRO 2.077 0.379 5 0 "[ . 1]"
1 94 VAL 0.000 0.000 . 0 "[ . 1]"
1 95 LEU 4.862 0.987 4 2 "[ +. - 1]"
1 96 ASP 3.690 0.987 4 2 "[ +. - 1]"
1 97 PRO 0.054 0.026 1 0 "[ . 1]"
1 98 HIS 3.281 0.332 1 0 "[ . 1]"
1 99 LEU 4.738 0.968 3 4 "[- + . ** 1]"
1 100 ALA 1.426 0.166 1 0 "[ . 1]"
1 101 LYS 3.611 0.399 3 0 "[ . 1]"
1 102 HIS 6.229 0.968 3 4 "[- + . ** 1]"
1 103 LEU 3.950 0.181 3 0 "[ . 1]"
1 104 ALA 1.955 0.181 3 0 "[ . 1]"
1 105 HIS 0.604 0.063 9 0 "[ . 1]"
1 106 PHE 2.352 0.206 2 0 "[ . 1]"
1 107 GLY 0.000 0.000 . 0 "[ . 1]"
1 108 ILE 2.851 0.206 2 0 "[ . 1]"
1 109 ASP 0.000 0.000 . 0 "[ . 1]"
1 110 MET 0.607 0.087 9 0 "[ . 1]"
1 111 LEU 0.458 0.099 4 0 "[ . 1]"
1 112 HIS 1.366 0.940 6 1 "[ .+ 1]"
1 113 MET 1.191 0.940 6 1 "[ .+ 1]"
1 114 HIS 0.288 0.153 7 0 "[ . 1]"
1 115 GLY 0.000 0.000 . 0 "[ . 1]"
1 116 THR 0.288 0.153 7 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 3 VAL HA 1 3 VAL HB 2.461 . 3.218 2.430 2.400 2.481 . 0 0 "[ . 1]" 1
2 1 3 VAL HA 1 3 VAL MG1 2.640 . 3.511 3.191 3.179 3.199 . 0 0 "[ . 1]" 1
3 1 3 VAL HA 1 3 VAL MG2 2.343 . 3.029 2.424 2.342 2.485 . 0 0 "[ . 1]" 1
4 1 3 VAL HA 1 4 SER H 2.074 . 2.612 2.187 2.132 2.234 . 0 0 "[ . 1]" 1
5 1 3 VAL HA 1 95 LEU H 2.394 . 3.111 2.166 1.955 2.486 . 0 0 "[ . 1]" 1
6 1 3 VAL HA 1 95 LEU QB 2.095 . 2.644 2.269 1.831 2.644 . 0 0 "[ . 1]" 1
7 1 3 VAL HA 1 95 LEU HG 3.110 . 4.319 4.402 4.301 4.519 0.200 4 0 "[ . 1]" 1
8 1 3 VAL HB 1 3 VAL MG1 2.338 . 3.021 2.117 2.110 2.126 . 0 0 "[ . 1]" 1
9 1 3 VAL HB 1 3 VAL MG2 1.984 . 2.476 2.131 2.129 2.135 . 0 0 "[ . 1]" 1
10 1 3 VAL MG1 1 4 SER HA 3.552 . 5.129 4.382 4.103 4.888 . 0 0 "[ . 1]" 1
11 1 3 VAL MG2 1 4 SER H 2.554 . 3.370 2.605 2.417 2.820 . 0 0 "[ . 1]" 1
12 1 3 VAL MG2 1 96 ASP HA 3.319 . 4.696 3.534 3.223 3.902 . 0 0 "[ . 1]" 1
13 1 3 VAL MG2 1 97 PRO HA 3.589 . 5.199 4.467 3.430 4.804 . 0 0 "[ . 1]" 1
14 1 3 VAL MG2 1 97 PRO HD2 2.884 . 3.924 3.560 3.419 3.681 . 0 0 "[ . 1]" 1
15 1 3 VAL MG2 1 97 PRO HD3 2.313 . 2.982 2.265 2.068 2.345 . 0 0 "[ . 1]" 1
16 1 3 VAL MG2 1 97 PRO HG2 2.616 . 3.471 2.908 2.759 3.041 . 0 0 "[ . 1]" 1
17 1 3 VAL MG2 1 97 PRO HG3 2.640 . 3.511 2.249 1.808 2.474 . 0 0 "[ . 1]" 1
18 1 4 SER H 1 4 SER HB2 2.753 . 3.700 3.136 2.478 4.017 0.317 8 0 "[ . 1]" 1
19 1 4 SER H 1 94 VAL HB 3.359 . 4.769 2.600 2.395 3.086 . 0 0 "[ . 1]" 1
20 1 4 SER H 1 94 VAL MG2 3.566 . 5.155 3.577 3.477 3.690 . 0 0 "[ . 1]" 1
21 1 4 SER H 1 95 LEU QB 3.051 . 4.215 3.782 3.216 4.129 . 0 0 "[ . 1]" 1
22 1 4 SER HA 1 4 SER HB2 2.194 . 2.796 2.634 2.447 3.026 0.230 2 0 "[ . 1]" 1
23 1 4 SER HA 1 4 SER HB3 2.743 . 3.683 2.573 2.324 3.033 . 0 0 "[ . 1]" 1
24 1 5 LYS H 1 5 LYS HA 2.699 . 3.610 2.839 2.801 2.882 . 0 0 "[ . 1]" 1
25 1 5 LYS H 1 5 LYS HB2 2.937 . 4.015 2.729 2.301 3.630 . 0 0 "[ . 1]" 1
26 1 5 LYS H 1 5 LYS HG3 3.554 . 5.133 3.474 2.109 4.485 . 0 0 "[ . 1]" 1
27 1 5 LYS H 1 6 TYR H 2.961 . 4.057 2.520 2.330 2.737 . 0 0 "[ . 1]" 1
28 1 5 LYS HA 1 5 LYS HB2 2.040 . 2.560 2.695 2.449 3.031 0.471 3 0 "[ . 1]" 1
29 1 5 LYS HA 1 5 LYS HG2 2.862 . 3.886 3.155 2.529 3.776 . 0 0 "[ . 1]" 1
30 1 5 LYS HA 1 5 LYS HG3 2.799 . 3.778 3.223 2.651 3.816 0.038 6 0 "[ . 1]" 1
31 1 5 LYS HA 1 6 TYR H 2.852 . 3.869 3.436 3.368 3.541 . 0 0 "[ . 1]" 1
32 1 5 LYS HB2 1 5 LYS HE2 3.603 . 5.226 4.294 2.069 5.508 0.282 8 0 "[ . 1]" 1
33 1 5 LYS HB2 1 5 LYS HG2 2.274 . 2.921 2.829 2.398 3.008 0.087 5 0 "[ . 1]" 1
34 1 5 LYS HB2 1 5 LYS HG3 1.956 . 2.434 2.531 2.367 2.998 0.564 7 2 "[ . + -]" 1
35 1 5 LYS HB2 1 6 TYR H 3.080 . 4.266 3.592 2.759 4.159 . 0 0 "[ . 1]" 1
36 1 5 LYS HD2 1 5 LYS HE2 2.294 . 2.952 2.745 2.424 3.016 0.064 2 0 "[ . 1]" 1
37 1 5 LYS HE2 1 5 LYS HG2 2.676 . 3.571 3.026 2.366 3.836 0.265 9 0 "[ . 1]" 1
38 1 5 LYS HE2 1 5 LYS HG3 2.479 . 3.247 3.388 2.780 3.748 0.501 10 1 "[ . +]" 1
39 1 6 TYR H 1 6 TYR HA 2.889 . 3.932 2.864 2.774 2.927 . 0 0 "[ . 1]" 1
40 1 6 TYR H 1 6 TYR QB 2.944 . 3.756 2.221 2.063 2.601 . 0 0 "[ . 1]" 1
41 1 6 TYR H 1 6 TYR HD1 2.793 . 3.768 3.215 2.042 3.870 0.102 5 0 "[ . 1]" 1
42 1 6 TYR H 1 7 ALA H 2.768 . 3.726 2.581 2.167 2.940 . 0 0 "[ . 1]" 1
43 1 6 TYR HA 1 6 TYR QB 2.629 . 3.018 2.480 2.346 2.537 . 0 0 "[ . 1]" 1
44 1 6 TYR HA 1 6 TYR HD1 2.741 . 3.680 3.077 2.127 3.750 0.070 8 0 "[ . 1]" 1
45 1 6 TYR HA 1 7 ALA H 2.554 . 3.369 3.247 2.879 3.428 0.059 2 0 "[ . 1]" 1
46 1 6 TYR QB 1 6 TYR HD1 2.378 . 3.085 2.546 2.429 2.849 . 0 0 "[ . 1]" 1
47 1 6 TYR QB 1 71 LEU MD2 3.359 . 4.769 2.537 1.811 2.933 0.138 8 0 "[ . 1]" 1
48 1 7 ALA H 1 7 ALA HA 2.631 . 3.497 2.865 2.799 2.927 . 0 0 "[ . 1]" 1
49 1 7 ALA H 1 7 ALA MB 2.360 . 3.056 2.267 2.224 2.319 . 0 0 "[ . 1]" 1
50 1 7 ALA HA 1 7 ALA MB 2.087 . 2.632 2.122 2.105 2.134 . 0 0 "[ . 1]" 1
51 1 7 ALA MB 1 8 ASN H 3.268 . 4.603 2.831 2.268 3.138 . 0 0 "[ . 1]" 1
52 1 7 ALA MB 1 96 ASP HA 2.809 . 3.795 2.614 1.990 3.386 . 0 0 "[ . 1]" 1
53 1 7 ALA MB 1 97 PRO HD2 2.833 . 3.836 2.357 1.854 2.952 . 0 0 "[ . 1]" 1
54 1 7 ALA MB 1 97 PRO HD3 2.815 . 3.806 2.780 2.227 3.280 . 0 0 "[ . 1]" 1
55 1 8 ASN H 1 8 ASN HB2 2.567 . 3.391 2.610 2.225 3.703 0.312 7 0 "[ . 1]" 1
56 1 8 ASN HA 1 8 ASN HB2 2.200 . 2.805 2.634 2.409 3.014 0.209 8 0 "[ . 1]" 1
57 1 8 ASN HA 1 9 ASN H 2.930 . 4.003 3.477 3.324 3.553 . 0 0 "[ . 1]" 1
58 1 8 ASN HA 1 10 LEU H 3.516 . 5.061 4.132 3.618 4.814 . 0 0 "[ . 1]" 1
59 1 9 ASN HA 1 9 ASN HB2 2.119 . 2.680 2.714 2.452 3.024 0.344 8 0 "[ . 1]" 1
60 1 9 ASN HA 1 9 ASN HB3 2.678 . 3.574 2.776 2.365 3.033 . 0 0 "[ . 1]" 1
61 1 10 LEU H 1 10 LEU HB2 2.572 . 3.399 3.280 2.204 3.768 0.369 7 0 "[ . 1]" 1
62 1 10 LEU H 1 10 LEU HB3 2.687 . 3.590 2.959 2.625 3.450 . 0 0 "[ . 1]" 1
63 1 10 LEU HA 1 10 LEU HB2 2.128 . 2.694 2.551 2.478 2.682 . 0 0 "[ . 1]" 1
64 1 10 LEU HA 1 10 LEU HB3 2.617 . 3.473 2.530 2.293 3.018 . 0 0 "[ . 1]" 1
65 1 10 LEU HA 1 10 LEU MD1 3.649 . 5.313 3.374 2.659 3.660 . 0 0 "[ . 1]" 1
66 1 10 LEU HA 1 10 LEU HG 2.687 . 3.590 3.670 3.642 3.746 0.156 2 0 "[ . 1]" 1
67 1 10 LEU HA 1 11 THR H 2.160 . 2.743 2.395 2.147 2.572 . 0 0 "[ . 1]" 1
68 1 10 LEU HB2 1 10 LEU MD1 2.829 . 3.830 2.592 2.261 3.199 . 0 0 "[ . 1]" 1
69 1 10 LEU HB2 1 10 LEU MD2 2.813 . 3.802 2.447 2.214 2.574 . 0 0 "[ . 1]" 1
70 1 10 LEU HB3 1 10 LEU MD1 2.200 . 2.805 2.929 2.244 3.219 0.414 2 0 "[ . 1]" 1
71 1 10 LEU HB3 1 10 LEU MD2 2.752 . 3.698 2.535 2.199 3.194 . 0 0 "[ . 1]" 1
72 1 10 LEU MD1 1 10 LEU MD2 2.043 . 2.565 2.074 2.058 2.084 . 0 0 "[ . 1]" 1
73 1 10 LEU MD1 1 11 THR H 3.048 . 4.210 3.295 2.703 3.852 . 0 0 "[ . 1]" 1
74 1 10 LEU MD1 1 12 GLN HG2 2.889 . 3.932 2.853 2.032 3.639 . 0 0 "[ . 1]" 1
75 1 10 LEU MD1 1 12 GLN HG3 2.972 . 4.076 2.752 2.169 3.419 . 0 0 "[ . 1]" 1
76 1 10 LEU MD1 1 39 LEU HB2 3.389 . 4.825 4.232 2.968 5.458 0.633 2 1 "[ + . 1]" 1
77 1 10 LEU MD1 1 39 LEU HB3 3.303 . 4.667 3.007 1.810 4.298 0.129 1 0 "[ . 1]" 1
78 1 10 LEU MD2 1 10 LEU HG 2.318 . 2.989 2.122 2.119 2.126 . 0 0 "[ . 1]" 1
79 1 10 LEU MD2 1 11 THR H 3.322 . 4.701 3.986 2.749 4.410 . 0 0 "[ . 1]" 1
80 1 11 THR H 1 11 THR HA 2.435 . 3.176 2.918 2.821 2.947 . 0 0 "[ . 1]" 1
81 1 11 THR H 1 11 THR HB 2.406 . 3.129 2.714 2.584 2.790 . 0 0 "[ . 1]" 1
82 1 11 THR H 1 11 THR MG 3.320 . 4.698 3.842 3.724 3.905 . 0 0 "[ . 1]" 1
83 1 11 THR HA 1 11 THR HB 2.465 . 3.224 3.020 3.010 3.027 . 0 0 "[ . 1]" 1
84 1 11 THR HA 1 11 THR MG 2.177 . 2.769 2.323 2.290 2.370 . 0 0 "[ . 1]" 1
85 1 11 THR HA 1 12 GLN H 2.016 . 2.524 2.192 2.153 2.239 . 0 0 "[ . 1]" 1
86 1 11 THR HA 1 12 GLN HA 3.483 . 4.999 4.394 4.371 4.431 . 0 0 "[ . 1]" 1
87 1 11 THR HB 1 11 THR MG 2.147 . 2.723 2.131 2.118 2.135 . 0 0 "[ . 1]" 1
88 1 11 THR HB 1 12 GLN H 2.993 . 4.112 4.047 3.888 4.167 0.055 1 0 "[ . 1]" 1
89 1 11 THR HB 1 40 THR MG 3.808 . 5.620 3.173 2.201 3.683 . 0 0 "[ . 1]" 1
90 1 11 THR MG 1 12 GLN H 2.520 . 3.314 2.592 2.352 2.901 . 0 0 "[ . 1]" 1
91 1 12 GLN H 1 12 GLN HB2 2.482 . 3.252 2.531 2.467 2.614 . 0 0 "[ . 1]" 1
92 1 12 GLN H 1 12 GLN HB3 2.839 . 3.847 3.682 3.662 3.732 . 0 0 "[ . 1]" 1
93 1 12 GLN H 1 12 GLN HG2 2.925 . 3.995 3.675 3.349 3.923 . 0 0 "[ . 1]" 1
94 1 12 GLN H 1 12 GLN HG3 2.461 . 3.218 2.671 2.375 2.872 . 0 0 "[ . 1]" 1
95 1 12 GLN HA 1 12 GLN HB2 2.591 . 3.430 3.024 3.020 3.036 . 0 0 "[ . 1]" 1
96 1 12 GLN HA 1 12 GLN HB3 2.334 . 3.015 2.469 2.413 2.519 . 0 0 "[ . 1]" 1
97 1 12 GLN HA 1 12 GLN HG2 2.924 . 3.993 2.500 2.396 2.638 . 0 0 "[ . 1]" 1
98 1 12 GLN HA 1 12 GLN HG3 3.386 . 4.819 3.174 3.032 3.320 . 0 0 "[ . 1]" 1
99 1 12 GLN HA 1 40 THR MG 3.089 . 4.282 3.006 2.423 3.676 . 0 0 "[ . 1]" 1
100 1 12 GLN HB2 1 12 GLN HG2 2.655 . 3.536 3.005 2.992 3.010 . 0 0 "[ . 1]" 1
101 1 12 GLN HB2 1 12 GLN HG3 2.625 . 3.486 2.393 2.327 2.428 . 0 0 "[ . 1]" 1
102 1 12 GLN HB3 1 12 GLN HG2 2.373 . 3.077 2.485 2.451 2.564 . 0 0 "[ . 1]" 1
103 1 12 GLN HB3 1 12 GLN HG3 2.286 . 2.939 2.998 2.986 3.006 0.067 2 0 "[ . 1]" 1
104 1 13 LEU H 1 13 LEU HA 2.945 . 4.029 2.932 2.865 2.950 . 0 0 "[ . 1]" 1
105 1 13 LEU H 1 13 LEU HB2 2.418 . 3.149 3.046 2.233 3.258 0.109 1 0 "[ . 1]" 1
106 1 13 LEU H 1 13 LEU HB3 2.465 . 3.224 2.538 2.286 2.768 . 0 0 "[ . 1]" 1
107 1 13 LEU H 1 13 LEU MD1 3.698 . 5.408 4.311 4.184 4.367 . 0 0 "[ . 1]" 1
108 1 13 LEU H 1 13 LEU HG 3.460 . 4.957 4.367 4.197 4.872 . 0 0 "[ . 1]" 1
109 1 13 LEU H 1 40 THR MG 2.802 . 3.783 2.725 2.553 2.974 . 0 0 "[ . 1]" 1
110 1 13 LEU H 1 41 ASP H 3.392 . 4.830 4.336 4.139 4.700 . 0 0 "[ . 1]" 1
111 1 13 LEU HA 1 13 LEU HB2 2.250 . 2.883 2.422 2.357 2.647 . 0 0 "[ . 1]" 1
112 1 13 LEU HA 1 13 LEU HB3 2.590 . 3.428 3.007 2.992 3.017 . 0 0 "[ . 1]" 1
113 1 13 LEU HA 1 13 LEU MD1 2.575 . 3.404 2.299 2.151 2.676 . 0 0 "[ . 1]" 1
114 1 13 LEU HA 1 14 ASP H 2.930 . 4.003 2.174 2.133 2.240 . 0 0 "[ . 1]" 1
115 1 13 LEU HB2 1 13 LEU MD1 2.552 . 3.366 2.570 2.383 3.222 . 0 0 "[ . 1]" 1
116 1 13 LEU HB2 1 13 LEU HG 2.331 . 3.010 2.899 2.415 3.022 0.012 3 0 "[ . 1]" 1
117 1 13 LEU HB2 1 40 THR MG 2.350 . 3.040 2.347 1.648 2.599 0.012 10 0 "[ . 1]" 1
118 1 13 LEU HB3 1 13 LEU MD1 2.824 . 3.821 3.045 2.385 3.207 . 0 0 "[ . 1]" 1
119 1 13 LEU HB3 1 13 LEU HG 2.027 . 2.541 2.436 2.399 2.458 . 0 0 "[ . 1]" 1
120 1 13 LEU MD1 1 40 THR MG 3.704 . 5.419 4.011 3.836 4.361 . 0 0 "[ . 1]" 1
121 1 13 LEU HG 1 15 ASN HB2 3.237 . 4.546 2.904 1.869 4.346 0.059 7 0 "[ . 1]" 1
122 1 13 LEU HG 1 40 THR MG 2.894 . 3.941 3.719 3.330 3.879 . 0 0 "[ . 1]" 1
123 1 13 LEU HG 1 41 ASP HA 2.741 . 3.680 3.262 3.011 3.558 . 0 0 "[ . 1]" 1
124 1 13 LEU HG 1 41 ASP HB2 2.296 . 2.955 3.035 2.993 3.112 0.157 10 0 "[ . 1]" 1
125 1 13 LEU HG 1 41 ASP HB3 2.552 . 3.366 3.036 2.656 3.402 0.036 4 0 "[ . 1]" 1
126 1 14 ASP H 1 14 ASP HB2 3.495 . 5.022 2.778 2.223 3.694 . 0 0 "[ . 1]" 1
127 1 14 ASP H 1 14 ASP HB3 3.106 . 4.312 3.136 2.480 3.730 . 0 0 "[ . 1]" 1
128 1 14 ASP HA 1 14 ASP HB2 2.282 . 2.933 2.742 2.448 3.032 0.099 5 0 "[ . 1]" 1
129 1 14 ASP HA 1 14 ASP HB3 2.493 . 3.270 2.684 2.401 3.038 . 0 0 "[ . 1]" 1
130 1 14 ASP HA 1 15 ASN H 2.199 . 2.803 2.178 2.120 2.216 . 0 0 "[ . 1]" 1
131 1 14 ASP HA 1 16 GLY H 3.478 . 4.990 4.196 3.760 4.768 . 0 0 "[ . 1]" 1
132 1 15 ASN H 1 15 ASN HB2 2.773 . 3.734 2.983 2.685 3.215 . 0 0 "[ . 1]" 1
133 1 15 ASN H 1 15 ASN HB3 2.999 . 4.123 2.750 2.628 2.863 . 0 0 "[ . 1]" 1
134 1 15 ASN H 1 16 GLY H 2.596 . 3.439 3.245 2.882 3.498 0.059 6 0 "[ . 1]" 1
135 1 15 ASN HA 1 15 ASN HB2 2.608 . 3.458 2.529 2.460 2.571 . 0 0 "[ . 1]" 1
136 1 15 ASN HA 1 15 ASN HB3 2.528 . 3.327 3.028 3.020 3.034 . 0 0 "[ . 1]" 1
137 1 15 ASN HB2 1 16 GLY H 3.700 . 5.411 4.635 4.605 4.653 . 0 0 "[ . 1]" 1
138 1 15 ASN HB3 1 17 VAL MG1 3.643 . 5.302 4.629 4.055 4.994 . 0 0 "[ . 1]" 1
139 1 16 GLY H 1 16 GLY HA2 2.394 . 3.111 2.317 2.297 2.402 . 0 0 "[ . 1]" 1
140 1 16 GLY H 1 16 GLY HA3 2.489 . 3.264 2.866 2.836 2.944 . 0 0 "[ . 1]" 1
141 1 16 GLY H 1 17 VAL H 2.827 . 3.826 2.467 2.101 2.610 . 0 0 "[ . 1]" 1
142 1 17 VAL H 1 17 VAL HA 2.567 . 3.391 2.850 2.802 2.891 . 0 0 "[ . 1]" 1
143 1 17 VAL H 1 17 VAL HB 2.097 . 2.647 2.719 2.672 2.777 0.130 3 0 "[ . 1]" 1
144 1 17 VAL H 1 17 VAL MG1 2.205 . 2.813 1.913 1.862 1.982 . 0 0 "[ . 1]" 1
145 1 17 VAL H 1 17 VAL MG2 3.228 . 4.530 3.765 3.752 3.788 . 0 0 "[ . 1]" 1
146 1 17 VAL H 1 18 ARG H 3.519 . 5.067 4.398 4.346 4.466 . 0 0 "[ . 1]" 1
147 1 17 VAL HA 1 17 VAL HB 2.532 . 3.333 2.401 2.378 2.428 . 0 0 "[ . 1]" 1
148 1 17 VAL HA 1 17 VAL MG1 2.764 . 3.719 3.205 3.198 3.211 . 0 0 "[ . 1]" 1
149 1 17 VAL HA 1 17 VAL MG2 2.250 . 2.883 2.413 2.373 2.446 . 0 0 "[ . 1]" 1
150 1 17 VAL HA 1 18 ARG H 1.937 . 2.406 2.080 2.022 2.118 . 0 0 "[ . 1]" 1
151 1 17 VAL HA 1 18 ARG QB 3.113 . 4.324 4.067 4.005 4.120 . 0 0 "[ . 1]" 1
152 1 17 VAL HA 1 19 ILE MD 3.570 . 5.163 4.259 3.566 4.605 . 0 0 "[ . 1]" 1
153 1 17 VAL HA 1 19 ILE HG12 3.623 . 5.264 4.967 4.361 5.286 0.022 1 0 "[ . 1]" 1
154 1 17 VAL HB 1 17 VAL MG1 1.844 . 2.269 2.108 2.106 2.110 . 0 0 "[ . 1]" 1
155 1 17 VAL HB 1 17 VAL MG2 2.051 . 2.577 2.129 2.123 2.134 . 0 0 "[ . 1]" 1
156 1 17 VAL HB 1 18 ARG H 3.595 . 5.211 4.225 4.156 4.304 . 0 0 "[ . 1]" 1
157 1 17 VAL MG1 1 18 ARG H 3.603 . 5.226 4.136 4.008 4.204 . 0 0 "[ . 1]" 1
158 1 17 VAL MG2 1 18 ARG H 2.544 . 3.353 2.900 2.672 3.020 . 0 0 "[ . 1]" 1
159 1 17 VAL MG2 1 19 ILE HG12 2.548 . 3.360 2.356 1.958 2.769 . 0 0 "[ . 1]" 1
160 1 17 VAL MG2 1 42 GLY HA2 3.206 . 4.491 3.323 2.993 3.548 . 0 0 "[ . 1]" 1
161 1 17 VAL MG2 1 42 GLY HA3 2.334 . 3.015 1.949 1.619 2.292 0.034 9 0 "[ . 1]" 1
162 1 18 ARG H 1 18 ARG HA 2.824 . 3.821 2.929 2.918 2.942 . 0 0 "[ . 1]" 1
163 1 18 ARG H 1 18 ARG QB 2.520 . 3.174 2.608 2.569 2.670 . 0 0 "[ . 1]" 1
164 1 18 ARG H 1 18 ARG QD 3.826 . 5.656 4.469 4.307 4.643 . 0 0 "[ . 1]" 1
165 1 18 ARG HA 1 18 ARG QB 2.392 . 3.107 2.429 2.336 2.493 . 0 0 "[ . 1]" 1
166 1 18 ARG HA 1 18 ARG QD 2.305 . 2.969 2.494 1.980 2.926 . 0 0 "[ . 1]" 1
167 1 18 ARG HA 1 18 ARG QG 2.465 . 3.224 2.569 2.270 3.011 . 0 0 "[ . 1]" 1
168 1 18 ARG QG 1 19 ILE H 2.904 . 3.958 3.847 3.693 3.924 . 0 0 "[ . 1]" 1
169 1 19 ILE H 1 19 ILE HB 2.386 . 3.098 2.665 2.600 2.728 . 0 0 "[ . 1]" 1
170 1 19 ILE H 1 19 ILE MD 2.671 . 3.563 3.297 3.184 3.378 . 0 0 "[ . 1]" 1
171 1 19 ILE H 1 19 ILE HG12 2.411 . 3.138 2.071 1.894 2.298 . 0 0 "[ . 1]" 1
172 1 19 ILE H 1 19 ILE MG 3.417 . 4.877 3.787 3.744 3.837 . 0 0 "[ . 1]" 1
173 1 19 ILE HA 1 19 ILE HB 2.540 . 3.347 3.024 3.015 3.031 . 0 0 "[ . 1]" 1
174 1 19 ILE HA 1 19 ILE MD 2.252 . 2.886 2.118 1.956 2.236 . 0 0 "[ . 1]" 1
175 1 19 ILE HA 1 19 ILE MG 2.353 . 3.045 2.261 2.218 2.308 . 0 0 "[ . 1]" 1
176 1 19 ILE HA 1 20 PRO HD2 2.210 . 2.820 2.524 2.355 2.630 . 0 0 "[ . 1]" 1
177 1 19 ILE HA 1 20 PRO HD3 1.942 . 2.413 1.945 1.855 2.071 . 0 0 "[ . 1]" 1
178 1 19 ILE HA 1 20 PRO HG3 3.007 . 4.137 4.172 4.083 4.267 0.130 1 0 "[ . 1]" 1
179 1 19 ILE HB 1 19 ILE MD 2.754 . 3.702 3.224 3.214 3.231 . 0 0 "[ . 1]" 1
180 1 19 ILE HB 1 19 ILE HG12 2.243 . 2.872 2.523 2.491 2.564 . 0 0 "[ . 1]" 1
181 1 19 ILE HB 1 19 ILE HG13 2.403 . 3.125 2.408 2.374 2.436 . 0 0 "[ . 1]" 1
182 1 19 ILE HB 1 19 ILE MG 2.403 . 3.125 2.131 2.130 2.133 . 0 0 "[ . 1]" 1
183 1 19 ILE MD 1 19 ILE HG12 2.114 . 2.673 2.109 2.105 2.115 . 0 0 "[ . 1]" 1
184 1 19 ILE MD 1 19 ILE HG13 2.360 . 3.056 2.113 2.108 2.120 . 0 0 "[ . 1]" 1
185 1 19 ILE MD 1 19 ILE MG 1.915 . 2.373 1.981 1.920 2.034 . 0 0 "[ . 1]" 1
186 1 19 ILE MD 1 20 PRO HD2 3.157 . 4.403 3.555 3.329 3.852 . 0 0 "[ . 1]" 1
187 1 19 ILE MD 1 20 PRO HD3 2.705 . 3.620 3.416 3.253 3.504 . 0 0 "[ . 1]" 1
188 1 19 ILE MD 1 42 GLY HA2 4.190 . 6.385 3.324 3.159 3.562 . 0 0 "[ . 1]" 1
189 1 19 ILE MD 1 42 GLY HA3 3.091 . 4.285 2.760 2.497 3.236 . 0 0 "[ . 1]" 1
190 1 19 ILE HG12 1 19 ILE MG 3.103 . 4.306 3.185 3.181 3.189 . 0 0 "[ . 1]" 1
191 1 19 ILE MG 1 20 PRO HD2 2.548 . 3.360 2.024 1.847 2.253 . 0 0 "[ . 1]" 1
192 1 19 ILE MG 1 20 PRO HD3 2.392 . 3.107 2.953 2.879 3.035 . 0 0 "[ . 1]" 1
193 1 20 PRO HA 1 20 PRO HB3 2.411 . 3.138 2.296 2.281 2.309 . 0 0 "[ . 1]" 1
194 1 20 PRO HA 1 20 PRO HG2 3.267 . 4.601 3.933 3.876 3.985 . 0 0 "[ . 1]" 1
195 1 20 PRO HA 1 20 PRO HG3 2.939 . 4.019 3.979 3.931 4.018 . 0 0 "[ . 1]" 1
196 1 20 PRO HA 1 21 PRO HD2 2.516 . 3.307 2.836 2.632 2.983 . 0 0 "[ . 1]" 1
197 1 20 PRO HA 1 22 SER H 3.656 . 5.327 3.877 3.724 4.056 . 0 0 "[ . 1]" 1
198 1 20 PRO HB2 1 20 PRO HD3 2.941 . 4.022 4.034 3.937 4.091 0.069 6 0 "[ . 1]" 1
199 1 20 PRO HB2 1 20 PRO HG2 1.991 . 2.487 2.281 2.256 2.308 . 0 0 "[ . 1]" 1
200 1 20 PRO HB2 1 20 PRO HG3 2.187 . 2.785 2.723 2.676 2.768 . 0 0 "[ . 1]" 1
201 1 20 PRO HB2 1 21 PRO HD2 2.309 . 2.975 2.701 2.482 2.964 . 0 0 "[ . 1]" 1
202 1 20 PRO HB2 1 22 SER H 3.180 . 4.444 2.292 2.070 2.548 . 0 0 "[ . 1]" 1
203 1 20 PRO HB3 1 20 PRO HD3 2.944 . 4.027 3.305 3.045 3.506 . 0 0 "[ . 1]" 1
204 1 20 PRO HB3 1 20 PRO HG2 2.650 . 3.528 2.960 2.933 2.986 . 0 0 "[ . 1]" 1
205 1 20 PRO HB3 1 21 PRO HD2 2.556 . 3.372 3.420 3.300 3.486 0.114 2 0 "[ . 1]" 1
206 1 20 PRO HB3 1 22 SER H 3.120 . 4.337 3.985 3.765 4.234 . 0 0 "[ . 1]" 1
207 1 20 PRO HD2 1 20 PRO HG2 2.318 . 2.989 2.259 2.248 2.284 . 0 0 "[ . 1]" 1
208 1 20 PRO HD2 1 20 PRO HG3 2.215 . 2.828 2.810 2.716 2.875 0.047 6 0 "[ . 1]" 1
209 1 20 PRO HD2 1 22 SER H 3.502 . 5.035 4.670 4.481 5.032 . 0 0 "[ . 1]" 1
210 1 20 PRO HD3 1 20 PRO HG2 2.355 . 3.048 2.904 2.858 2.962 . 0 0 "[ . 1]" 1
211 1 20 PRO HD3 1 20 PRO HG3 2.076 . 2.615 2.261 2.250 2.277 . 0 0 "[ . 1]" 1
212 1 20 PRO HD3 1 22 SER H 3.741 . 5.490 5.559 5.495 5.612 0.122 7 0 "[ . 1]" 1
213 1 20 PRO HG2 1 22 SER H 2.486 . 3.258 3.260 3.167 3.333 0.075 3 0 "[ . 1]" 1
214 1 20 PRO HG3 1 22 SER H 3.246 . 4.563 4.563 4.477 4.586 0.023 4 0 "[ . 1]" 1
215 1 21 PRO HA 1 21 PRO HB2 2.383 . 3.093 2.939 2.882 2.968 . 0 0 "[ . 1]" 1
216 1 21 PRO HA 1 21 PRO HB3 2.147 . 2.723 2.275 2.261 2.288 . 0 0 "[ . 1]" 1
217 1 21 PRO HA 1 21 PRO HG2 3.195 . 4.471 3.993 3.926 4.073 . 0 0 "[ . 1]" 1
218 1 21 PRO HA 1 21 PRO HG3 2.776 . 3.739 3.155 2.988 3.422 . 0 0 "[ . 1]" 1
219 1 21 PRO HB2 1 21 PRO HD2 2.566 . 3.389 3.013 2.910 3.194 . 0 0 "[ . 1]" 1
220 1 21 PRO HB2 1 22 SER H 2.716 . 3.638 3.479 3.297 3.786 0.148 2 0 "[ . 1]" 1
221 1 21 PRO HD2 1 21 PRO HG2 2.106 . 2.660 2.310 2.300 2.318 . 0 0 "[ . 1]" 1
222 1 21 PRO HD2 1 21 PRO HG3 2.286 . 2.939 2.984 2.976 2.989 0.050 1 0 "[ . 1]" 1
223 1 21 PRO HD2 1 22 SER H 2.767 . 3.724 2.921 2.659 3.123 . 0 0 "[ . 1]" 1
224 1 22 SER H 1 22 SER HA 2.622 . 3.482 2.863 2.808 2.905 . 0 0 "[ . 1]" 1
225 1 22 SER H 1 22 SER HB2 2.844 . 3.855 3.126 2.633 3.980 0.125 6 0 "[ . 1]" 1
226 1 22 SER HA 1 22 SER HB2 2.224 . 2.842 2.669 2.474 3.024 0.182 3 0 "[ . 1]" 1
227 1 22 SER HA 1 22 SER HB3 2.296 . 2.955 2.647 2.335 3.025 0.070 9 0 "[ . 1]" 1
228 1 22 SER HA 1 23 GLY H 2.863 . 3.887 2.921 2.339 3.444 . 0 0 "[ . 1]" 1
229 1 22 SER HA 1 24 TRP H 3.163 . 4.413 4.030 3.458 4.377 . 0 0 "[ . 1]" 1
230 1 23 GLY H 1 23 GLY HA2 2.881 . 3.919 2.333 2.306 2.369 . 0 0 "[ . 1]" 1
231 1 23 GLY HA2 1 24 TRP H 2.902 . 3.955 3.195 2.719 3.495 . 0 0 "[ . 1]" 1
232 1 23 GLY HA3 1 24 TRP H 2.788 . 3.759 3.213 2.940 3.549 . 0 0 "[ . 1]" 1
233 1 24 TRP H 1 24 TRP HA 2.442 . 3.187 2.774 2.252 2.881 . 0 0 "[ . 1]" 1
234 1 24 TRP H 1 24 TRP HB2 2.956 . 4.048 3.575 2.787 4.011 . 0 0 "[ . 1]" 1
235 1 24 TRP H 1 24 TRP HB3 2.641 . 3.513 3.594 3.097 4.039 0.526 2 1 "[ + . 1]" 1
236 1 24 TRP H 1 24 TRP HD1 3.113 . 4.325 3.600 2.257 4.363 0.038 2 0 "[ . 1]" 1
237 1 24 TRP H 1 35 LEU MD1 3.692 . 5.396 4.448 4.048 4.758 . 0 0 "[ . 1]" 1
238 1 24 TRP HA 1 24 TRP HB2 2.188 . 2.787 2.732 2.525 3.020 0.233 2 0 "[ . 1]" 1
239 1 24 TRP HA 1 24 TRP HB3 2.429 . 3.167 2.328 2.226 2.451 . 0 0 "[ . 1]" 1
240 1 24 TRP HA 1 25 LYS H 2.001 . 2.502 2.270 2.102 2.544 0.042 2 0 "[ . 1]" 1
241 1 24 TRP HA 1 35 LEU MD1 3.216 . 4.509 3.792 3.520 4.143 . 0 0 "[ . 1]" 1
242 1 24 TRP HB2 1 24 TRP HD1 2.720 . 3.645 3.068 2.571 3.842 0.197 2 0 "[ . 1]" 1
243 1 24 TRP HB2 1 25 LYS H 2.690 . 3.595 3.043 2.648 3.527 . 0 0 "[ . 1]" 1
244 1 24 TRP HB2 1 35 LEU MD1 2.132 . 2.700 2.016 1.733 2.311 . 0 0 "[ . 1]" 1
245 1 24 TRP HB2 1 44 VAL MG1 2.873 . 3.905 3.193 2.747 3.778 . 0 0 "[ . 1]" 1
246 1 24 TRP HB2 1 75 LEU MD1 2.705 . 3.619 2.166 1.819 2.773 . 0 0 "[ . 1]" 1
247 1 24 TRP HB3 1 24 TRP HD1 3.110 . 4.319 3.470 2.512 3.900 . 0 0 "[ . 1]" 1
248 1 24 TRP HB3 1 25 LYS H 2.848 . 3.862 3.326 2.150 3.913 0.051 7 0 "[ . 1]" 1
249 1 24 TRP HB3 1 35 LEU MD1 2.767 . 3.724 3.187 2.623 3.597 . 0 0 "[ . 1]" 1
250 1 24 TRP HB3 1 44 VAL MG1 3.290 . 4.643 3.243 2.446 3.729 . 0 0 "[ . 1]" 1
251 1 24 TRP HB3 1 75 LEU MD1 3.968 . 5.936 1.890 1.646 2.127 0.354 8 0 "[ . 1]" 1
252 1 24 TRP HD1 1 35 LEU MD1 3.716 . 5.442 3.318 1.989 5.003 0.001 7 0 "[ . 1]" 1
253 1 25 LYS H 1 25 LYS QB 2.599 . 3.443 2.989 2.932 3.065 . 0 0 "[ . 1]" 1
254 1 25 LYS H 1 25 LYS HG2 3.489 . 5.010 4.757 4.643 4.902 . 0 0 "[ . 1]" 1
255 1 25 LYS H 1 25 LYS HG3 3.647 . 5.310 4.737 4.687 4.760 . 0 0 "[ . 1]" 1
256 1 25 LYS H 1 35 LEU MD1 2.733 . 3.667 2.889 2.699 3.141 . 0 0 "[ . 1]" 1
257 1 25 LYS H 1 44 VAL MG1 2.780 . 3.746 2.004 1.841 2.144 . 0 0 "[ . 1]" 1
258 1 25 LYS H 1 44 VAL MG2 3.324 . 4.705 3.410 3.175 3.668 . 0 0 "[ . 1]" 1
259 1 25 LYS HA 1 25 LYS QB 2.064 . 2.596 2.374 2.343 2.430 . 0 0 "[ . 1]" 1
260 1 25 LYS HA 1 25 LYS HG2 2.679 . 3.576 3.301 3.247 3.390 . 0 0 "[ . 1]" 1
261 1 25 LYS HA 1 25 LYS HG3 2.562 . 3.383 2.409 2.312 2.468 . 0 0 "[ . 1]" 1
262 1 25 LYS HA 1 35 LEU MD1 2.067 . 2.601 2.204 2.049 2.407 . 0 0 "[ . 1]" 1
263 1 25 LYS HA 1 35 LEU MD2 3.290 . 4.643 2.367 2.241 2.551 . 0 0 "[ . 1]" 1
264 1 25 LYS QB 1 25 LYS QE 1.919 . 2.379 2.000 1.669 2.436 0.057 3 0 "[ . 1]" 1
265 1 25 LYS QB 1 25 LYS HG2 2.163 . 2.748 2.249 2.201 2.277 . 0 0 "[ . 1]" 1
266 1 25 LYS QB 1 25 LYS HG3 2.375 . 3.080 2.430 2.407 2.471 . 0 0 "[ . 1]" 1
267 1 25 LYS QB 1 26 CYS H 3.007 . 4.137 3.570 3.508 3.637 . 0 0 "[ . 1]" 1
268 1 25 LYS HD3 1 25 LYS QE 2.290 . 2.946 2.322 2.142 2.458 . 0 0 "[ . 1]" 1
269 1 25 LYS HD3 1 25 LYS HG3 2.067 . 2.601 2.441 2.392 2.535 . 0 0 "[ . 1]" 1
270 1 25 LYS HD3 1 30 ASP HA 2.451 . 3.202 2.379 1.759 2.996 . 0 0 "[ . 1]" 1
271 1 25 LYS QE 1 25 LYS HG2 2.849 . 3.864 3.295 3.255 3.374 . 0 0 "[ . 1]" 1
272 1 25 LYS QE 1 25 LYS HG3 2.623 . 3.483 2.321 2.242 2.391 . 0 0 "[ . 1]" 1
273 1 25 LYS QE 1 32 ARG HA 2.131 . 2.698 2.759 2.611 2.854 0.156 10 0 "[ . 1]" 1
274 1 25 LYS QE 1 32 ARG HG3 2.646 . 3.521 3.200 2.592 3.507 . 0 0 "[ . 1]" 1
275 1 25 LYS HG2 1 26 CYS H 2.661 . 3.546 2.977 2.853 3.259 . 0 0 "[ . 1]" 1
276 1 26 CYS H 1 26 CYS HA 2.504 . 3.288 2.833 2.787 2.875 . 0 0 "[ . 1]" 1
277 1 26 CYS H 1 26 CYS HB2 2.667 . 3.556 3.286 2.887 3.629 0.073 1 0 "[ . 1]" 1
278 1 26 CYS H 1 26 CYS HB3 2.458 . 3.213 2.363 2.016 2.696 . 0 0 "[ . 1]" 1
279 1 26 CYS H 1 35 LEU MD2 2.512 . 3.301 1.949 1.673 2.127 0.050 7 0 "[ . 1]" 1
280 1 26 CYS HA 1 26 CYS HB2 2.324 . 2.999 2.339 2.231 2.436 . 0 0 "[ . 1]" 1
281 1 26 CYS HA 1 26 CYS HB3 2.389 . 3.102 2.695 2.411 2.982 . 0 0 "[ . 1]" 1
282 1 26 CYS HA 1 27 ALA H 2.144 . 2.719 2.238 2.126 2.436 . 0 0 "[ . 1]" 1
283 1 26 CYS HA 1 27 ALA MB 3.593 . 5.207 3.961 3.820 4.121 . 0 0 "[ . 1]" 1
284 1 26 CYS HA 1 35 LEU MD2 2.913 . 3.974 3.019 2.881 3.124 . 0 0 "[ . 1]" 1
285 1 26 CYS HA 1 44 VAL MG1 2.983 . 4.095 2.354 2.225 2.548 . 0 0 "[ . 1]" 1
286 1 26 CYS HA 1 45 LEU HA 2.417 . 3.147 2.654 2.334 2.898 . 0 0 "[ . 1]" 1
287 1 26 CYS HA 1 45 LEU QD 2.703 . 3.617 3.595 3.538 3.660 0.043 3 0 "[ . 1]" 1
288 1 26 CYS HA 1 46 CYS H 3.606 . 5.231 4.710 4.190 5.138 . 0 0 "[ . 1]" 1
289 1 26 CYS HB2 1 27 ALA H 3.272 . 4.610 3.054 2.322 3.835 . 0 0 "[ . 1]" 1
290 1 26 CYS HB2 1 29 CYS H 3.523 . 5.074 4.785 4.212 5.139 0.065 3 0 "[ . 1]" 1
291 1 26 CYS HB2 1 35 LEU MD2 3.177 . 4.438 2.973 2.321 3.617 . 0 0 "[ . 1]" 1
292 1 26 CYS HB3 1 29 CYS H 3.728 . 5.466 4.943 4.191 5.518 0.052 10 0 "[ . 1]" 1
293 1 26 CYS HB3 1 35 LEU MD2 2.353 . 3.045 2.319 1.975 2.619 . 0 0 "[ . 1]" 1
294 1 26 CYS HB3 1 46 CYS H 2.969 . 4.071 3.828 3.402 4.185 0.114 9 0 "[ . 1]" 1
295 1 27 ALA H 1 27 ALA MB 2.191 . 2.791 2.081 1.966 2.137 . 0 0 "[ . 1]" 1
296 1 27 ALA H 1 28 ARG H 2.759 . 3.710 2.903 2.699 3.171 . 0 0 "[ . 1]" 1
297 1 27 ALA H 1 45 LEU HA 2.591 . 3.430 2.722 2.639 2.870 . 0 0 "[ . 1]" 1
298 1 27 ALA H 1 45 LEU QD 2.570 . 3.396 2.455 2.200 2.626 . 0 0 "[ . 1]" 1
299 1 27 ALA HA 1 27 ALA MB 2.151 . 2.729 2.101 2.074 2.119 . 0 0 "[ . 1]" 1
300 1 27 ALA MB 1 28 ARG H 2.595 . 3.437 2.531 1.926 3.122 . 0 0 "[ . 1]" 1
301 1 27 ALA MB 1 44 VAL H 3.282 . 4.629 4.167 3.721 4.534 . 0 0 "[ . 1]" 1
302 1 27 ALA MB 1 45 LEU HA 3.399 . 4.843 3.828 3.734 3.941 . 0 0 "[ . 1]" 1
303 1 27 ALA MB 1 45 LEU QD 2.035 . 2.553 2.342 2.223 2.417 . 0 0 "[ . 1]" 1
304 1 28 ARG H 1 28 ARG HA 2.497 . 3.276 2.891 2.776 2.940 . 0 0 "[ . 1]" 1
305 1 28 ARG H 1 28 ARG HB2 2.270 . 2.914 2.242 2.013 2.370 . 0 0 "[ . 1]" 1
306 1 28 ARG H 1 28 ARG HB3 2.629 . 3.493 3.489 3.274 3.577 0.084 7 0 "[ . 1]" 1
307 1 28 ARG H 1 28 ARG HG2 2.996 . 4.118 4.289 4.088 4.592 0.474 9 0 "[ . 1]" 1
308 1 28 ARG H 1 28 ARG HG3 3.579 . 5.180 4.189 4.057 4.340 . 0 0 "[ . 1]" 1
309 1 28 ARG H 1 29 CYS H 2.410 . 3.136 3.096 2.960 3.177 0.041 1 0 "[ . 1]" 1
310 1 28 ARG H 1 45 LEU QD 3.135 . 4.363 3.658 3.128 3.936 . 0 0 "[ . 1]" 1
311 1 28 ARG HA 1 28 ARG HB2 2.451 . 3.202 2.947 2.853 2.974 . 0 0 "[ . 1]" 1
312 1 28 ARG HA 1 28 ARG HB3 2.370 . 3.072 2.682 2.640 2.830 . 0 0 "[ . 1]" 1
313 1 28 ARG HA 1 28 ARG HD2 2.445 . 3.192 2.843 2.151 3.322 0.130 10 0 "[ . 1]" 1
314 1 28 ARG HA 1 28 ARG HG2 2.646 . 3.521 3.579 3.505 3.627 0.106 5 0 "[ . 1]" 1
315 1 28 ARG HA 1 28 ARG HG3 2.635 . 3.503 2.385 2.187 2.524 . 0 0 "[ . 1]" 1
316 1 28 ARG HA 1 29 CYS H 2.729 . 3.660 3.514 3.441 3.565 . 0 0 "[ . 1]" 1
317 1 28 ARG HB2 1 28 ARG HD2 2.127 . 2.692 2.889 2.348 3.412 0.720 6 3 "[ -*+ 1]" 1
318 1 28 ARG HB2 1 29 CYS H 2.918 . 3.983 2.307 2.116 2.670 . 0 0 "[ . 1]" 1
319 1 28 ARG HB3 1 28 ARG HD2 2.844 . 3.855 3.735 3.572 3.886 0.031 6 0 "[ . 1]" 1
320 1 28 ARG HB3 1 28 ARG HG2 2.350 . 3.040 2.378 2.285 2.455 . 0 0 "[ . 1]" 1
321 1 28 ARG HB3 1 29 CYS H 3.236 . 4.545 2.104 1.910 2.351 0.017 5 0 "[ . 1]" 1
322 1 28 ARG HD2 1 28 ARG HG2 1.998 . 2.497 2.878 2.598 3.013 0.516 9 4 "[* * . - +1]" 1
323 1 28 ARG HD2 1 28 ARG HG3 2.439 . 3.182 2.549 2.295 2.966 . 0 0 "[ . 1]" 1
324 1 28 ARG HD2 1 45 LEU QD 3.603 . 5.226 4.268 3.400 5.192 . 0 0 "[ . 1]" 1
325 1 29 CYS H 1 29 CYS HB2 2.814 . 3.804 3.192 3.102 3.302 . 0 0 "[ . 1]" 1
326 1 29 CYS H 1 29 CYS HB3 3.283 . 4.631 3.328 3.202 3.404 . 0 0 "[ . 1]" 1
327 1 29 CYS H 1 30 ASP H 3.257 . 4.583 4.603 4.557 4.624 0.041 10 0 "[ . 1]" 1
328 1 29 CYS H 1 57 ASN QB 2.903 . 3.957 3.840 3.618 3.990 0.033 4 0 "[ . 1]" 1
329 1 29 CYS HA 1 29 CYS HB2 2.423 . 3.157 2.876 2.798 2.907 . 0 0 "[ . 1]" 1
330 1 29 CYS HA 1 29 CYS HB3 2.435 . 3.176 2.232 2.224 2.241 . 0 0 "[ . 1]" 1
331 1 29 CYS HA 1 30 ASP H 2.710 . 3.628 2.358 2.252 2.507 . 0 0 "[ . 1]" 1
332 1 29 CYS HB2 1 30 ASP H 2.289 . 2.944 2.899 2.583 3.098 0.154 9 0 "[ . 1]" 1
333 1 29 CYS HB2 1 31 LEU H 2.827 . 3.826 2.716 2.323 3.304 . 0 0 "[ . 1]" 1
334 1 29 CYS HB2 1 31 LEU HB2 2.868 . 3.897 3.400 3.123 3.826 . 0 0 "[ . 1]" 1
335 1 29 CYS HB2 1 56 GLY H 2.292 . 2.949 2.871 2.473 3.055 0.106 10 0 "[ . 1]" 1
336 1 29 CYS HB3 1 30 ASP H 2.508 . 3.294 2.935 2.649 3.335 0.041 3 0 "[ . 1]" 1
337 1 29 CYS HB3 1 56 GLY H 2.370 . 3.072 2.486 2.290 2.696 . 0 0 "[ . 1]" 1
338 1 30 ASP H 1 30 ASP HA 2.527 . 3.325 2.925 2.906 2.949 . 0 0 "[ . 1]" 1
339 1 30 ASP H 1 30 ASP HB2 2.960 . 4.056 2.881 2.468 3.657 . 0 0 "[ . 1]" 1
340 1 30 ASP H 1 30 ASP HB3 2.398 . 3.117 2.747 2.375 3.676 0.559 8 1 "[ . + 1]" 1
341 1 30 ASP H 1 31 LEU H 2.768 . 3.726 3.147 2.879 3.630 . 0 0 "[ . 1]" 1
342 1 30 ASP HA 1 30 ASP HB2 2.110 . 2.667 2.551 2.386 3.020 0.353 8 0 "[ . 1]" 1
343 1 30 ASP HA 1 30 ASP HB3 2.445 . 3.192 2.850 2.398 3.035 . 0 0 "[ . 1]" 1
344 1 30 ASP HA 1 31 LEU H 3.113 . 4.325 2.751 2.453 3.029 . 0 0 "[ . 1]" 1
345 1 30 ASP HB2 1 31 LEU H 3.229 . 4.532 4.538 4.246 4.627 0.095 5 0 "[ . 1]" 1
346 1 31 LEU H 1 31 LEU HA 2.504 . 3.288 2.870 2.811 2.922 . 0 0 "[ . 1]" 1
347 1 31 LEU H 1 31 LEU HB2 2.358 . 3.053 2.282 2.233 2.383 . 0 0 "[ . 1]" 1
348 1 31 LEU H 1 31 LEU HB3 2.850 . 3.865 3.549 3.520 3.609 . 0 0 "[ . 1]" 1
349 1 31 LEU H 1 31 LEU MD1 2.945 . 4.029 3.841 3.764 3.902 . 0 0 "[ . 1]" 1
350 1 31 LEU H 1 31 LEU MD2 3.047 . 4.207 3.816 3.673 3.940 . 0 0 "[ . 1]" 1
351 1 31 LEU H 1 31 LEU HG 2.394 . 3.111 2.957 2.750 3.126 0.015 1 0 "[ . 1]" 1
352 1 31 LEU H 1 35 LEU MD2 4.306 . 6.624 3.838 3.573 4.167 . 0 0 "[ . 1]" 1
353 1 31 LEU HA 1 31 LEU HB2 2.479 . 3.247 2.983 2.962 2.998 . 0 0 "[ . 1]" 1
354 1 31 LEU HA 1 31 LEU HB3 2.086 . 2.630 2.608 2.570 2.638 0.008 2 0 "[ . 1]" 1
355 1 31 LEU HA 1 31 LEU MD1 3.253 . 4.576 3.779 3.748 3.820 . 0 0 "[ . 1]" 1
356 1 31 LEU HA 1 31 LEU MD2 2.103 . 2.656 1.740 1.687 1.829 . 0 0 "[ . 1]" 1
357 1 31 LEU HA 1 31 LEU HG 2.389 . 3.102 2.812 2.741 2.886 . 0 0 "[ . 1]" 1
358 1 31 LEU HA 1 32 ARG H 2.008 . 2.512 2.147 2.087 2.232 . 0 0 "[ . 1]" 1
359 1 31 LEU HA 1 32 ARG HA 3.535 . 5.097 4.334 4.313 4.355 . 0 0 "[ . 1]" 1
360 1 31 LEU HA 1 33 GLU H 2.863 . 3.887 3.586 3.428 3.713 . 0 0 "[ . 1]" 1
361 1 31 LEU HB2 1 31 LEU MD1 2.378 . 3.085 2.343 2.293 2.391 . 0 0 "[ . 1]" 1
362 1 31 LEU HB2 1 31 LEU MD2 2.674 . 3.568 3.177 3.169 3.185 . 0 0 "[ . 1]" 1
363 1 31 LEU HB2 1 31 LEU HG 2.191 . 2.791 2.472 2.447 2.509 . 0 0 "[ . 1]" 1
364 1 31 LEU HB2 1 32 ARG H 3.022 . 4.164 4.171 4.073 4.236 0.072 2 0 "[ . 1]" 1
365 1 31 LEU HB2 1 35 LEU MD2 2.812 . 3.800 2.816 2.374 3.178 . 0 0 "[ . 1]" 1
366 1 31 LEU HB3 1 31 LEU MD1 2.486 . 3.258 2.362 2.306 2.428 . 0 0 "[ . 1]" 1
367 1 31 LEU HB3 1 31 LEU MD2 2.286 . 2.939 2.385 2.343 2.429 . 0 0 "[ . 1]" 1
368 1 31 LEU HB3 1 31 LEU HG 2.497 . 3.276 3.017 3.012 3.023 . 0 0 "[ . 1]" 1
369 1 31 LEU HB3 1 32 ARG H 2.702 . 3.615 3.036 2.844 3.152 . 0 0 "[ . 1]" 1
370 1 31 LEU HB3 1 33 GLU H 2.615 . 3.470 2.483 2.291 2.770 . 0 0 "[ . 1]" 1
371 1 31 LEU HB3 1 35 LEU MD2 3.115 . 4.328 2.931 2.479 3.430 . 0 0 "[ . 1]" 1
372 1 31 LEU MD1 1 31 LEU HG 2.378 . 3.085 2.120 2.109 2.129 . 0 0 "[ . 1]" 1
373 1 31 LEU MD1 1 46 CYS HB2 2.780 . 3.746 2.650 2.223 3.139 . 0 0 "[ . 1]" 1
374 1 31 LEU MD1 1 46 CYS HB3 2.866 . 3.893 3.452 3.012 3.747 . 0 0 "[ . 1]" 1
375 1 31 LEU MD1 1 47 GLY H 3.221 . 4.518 3.521 2.928 3.947 . 0 0 "[ . 1]" 1
376 1 31 LEU MD1 1 56 GLY HA2 2.493 . 3.270 2.357 1.801 2.896 . 0 0 "[ . 1]" 1
377 1 31 LEU MD1 1 56 GLY HA3 2.320 . 2.993 2.762 2.214 3.093 0.100 7 0 "[ . 1]" 1
378 1 31 LEU MD2 1 31 LEU HG 2.100 . 2.651 2.121 2.116 2.125 . 0 0 "[ . 1]" 1
379 1 31 LEU MD2 1 32 ARG H 2.576 . 3.406 2.793 2.629 2.922 . 0 0 "[ . 1]" 1
380 1 31 LEU MD2 1 32 ARG HG3 3.106 . 4.312 4.156 4.051 4.197 . 0 0 "[ . 1]" 1
381 1 31 LEU MD2 1 33 GLU H 2.929 . 4.001 3.402 3.147 3.606 . 0 0 "[ . 1]" 1
382 1 32 ARG H 1 32 ARG HA 2.833 . 3.836 2.939 2.917 2.949 . 0 0 "[ . 1]" 1
383 1 32 ARG H 1 32 ARG HB2 2.486 . 3.258 2.608 2.407 2.763 . 0 0 "[ . 1]" 1
384 1 32 ARG H 1 32 ARG HB3 2.938 . 4.017 3.673 3.575 3.702 . 0 0 "[ . 1]" 1
385 1 32 ARG H 1 32 ARG HD2 2.898 . 3.948 4.112 3.700 4.792 0.844 10 3 "[- .* +]" 1
386 1 32 ARG H 1 32 ARG HG2 2.743 . 3.683 3.622 3.528 3.738 0.055 1 0 "[ . 1]" 1
387 1 32 ARG H 1 33 GLU H 2.361 . 3.058 2.209 1.987 2.376 . 0 0 "[ . 1]" 1
388 1 32 ARG HA 1 32 ARG HB2 2.486 . 3.258 3.020 3.003 3.028 . 0 0 "[ . 1]" 1
389 1 32 ARG HA 1 32 ARG HB3 2.231 . 2.853 2.398 2.336 2.465 . 0 0 "[ . 1]" 1
390 1 32 ARG HA 1 32 ARG HD2 3.313 . 4.685 4.742 4.636 4.937 0.252 6 0 "[ . 1]" 1
391 1 32 ARG HA 1 32 ARG HG2 2.426 . 3.162 2.757 2.665 2.975 . 0 0 "[ . 1]" 1
392 1 32 ARG HA 1 32 ARG HG3 2.383 . 3.093 3.097 2.904 3.158 0.065 7 0 "[ . 1]" 1
393 1 32 ARG HB2 1 32 ARG HD2 2.167 . 2.754 2.719 2.162 3.655 0.901 10 3 "[- .* +]" 1
394 1 32 ARG HB3 1 32 ARG HD2 2.375 . 3.080 3.292 3.022 3.755 0.675 1 3 "[+ .* -]" 1
395 1 32 ARG HB3 1 32 ARG HG2 2.620 . 3.478 2.370 2.319 2.407 . 0 0 "[ . 1]" 1
396 1 32 ARG HB3 1 32 ARG HG3 2.403 . 3.125 2.997 2.982 3.003 . 0 0 "[ . 1]" 1
397 1 32 ARG HD2 1 32 ARG HG2 2.345 . 3.033 2.825 2.413 3.004 . 0 0 "[ . 1]" 1
398 1 32 ARG HD2 1 32 ARG HG3 1.901 . 2.353 2.461 2.411 2.532 0.179 3 0 "[ . 1]" 1
399 1 33 GLU H 1 33 GLU HA 2.430 . 3.168 2.909 2.901 2.930 . 0 0 "[ . 1]" 1
400 1 33 GLU H 1 33 GLU HB2 2.232 . 2.855 2.933 2.751 3.309 0.454 8 0 "[ . 1]" 1
401 1 33 GLU H 1 33 GLU HB3 2.894 . 3.941 3.463 2.770 3.883 . 0 0 "[ . 1]" 1
402 1 33 GLU H 1 33 GLU HG2 3.285 . 4.634 4.411 3.642 5.051 0.417 8 0 "[ . 1]" 1
403 1 33 GLU H 1 35 LEU MD1 3.557 . 5.138 3.350 3.201 3.517 . 0 0 "[ . 1]" 1
404 1 33 GLU H 1 35 LEU MD2 3.333 . 4.721 3.308 3.177 3.432 . 0 0 "[ . 1]" 1
405 1 33 GLU HA 1 33 GLU HB2 2.770 . 3.729 2.827 2.469 3.028 . 0 0 "[ . 1]" 1
406 1 33 GLU HA 1 33 GLU HB3 2.556 . 3.373 2.738 2.440 3.027 . 0 0 "[ . 1]" 1
407 1 33 GLU HA 1 33 GLU HG2 2.442 . 3.187 2.845 2.240 3.799 0.612 7 2 "[ . +- 1]" 1
408 1 33 GLU HA 1 34 ASN H 2.164 . 2.749 2.459 2.355 2.599 . 0 0 "[ . 1]" 1
409 1 33 GLU HB2 1 33 GLU HG2 2.019 . 2.529 2.745 2.386 3.008 0.479 3 0 "[ . 1]" 1
410 1 33 GLU HB2 1 34 ASN H 2.693 . 3.599 3.698 3.434 3.923 0.324 6 0 "[ . 1]" 1
411 1 33 GLU HB3 1 33 GLU HG2 2.615 . 3.470 2.593 2.350 3.003 . 0 0 "[ . 1]" 1
412 1 33 GLU HB3 1 34 ASN H 3.098 . 4.297 2.720 2.078 3.669 . 0 0 "[ . 1]" 1
413 1 34 ASN H 1 34 ASN HA 2.271 . 2.915 2.280 2.273 2.285 . 0 0 "[ . 1]" 1
414 1 34 ASN H 1 34 ASN HB2 3.179 . 4.442 3.348 3.005 3.577 . 0 0 "[ . 1]" 1
415 1 34 ASN H 1 34 ASN HB3 3.557 . 5.138 3.953 3.626 4.104 . 0 0 "[ . 1]" 1
416 1 34 ASN H 1 35 LEU H 2.898 . 3.948 2.794 2.608 2.971 . 0 0 "[ . 1]" 1
417 1 34 ASN H 1 74 LYS HE3 3.546 . 5.118 4.508 3.664 5.020 . 0 0 "[ . 1]" 1
418 1 34 ASN HA 1 34 ASN HB2 2.360 . 3.056 2.887 2.528 3.034 . 0 0 "[ . 1]" 1
419 1 34 ASN HA 1 34 ASN HB3 2.524 . 3.320 2.671 2.449 3.026 . 0 0 "[ . 1]" 1
420 1 34 ASN HA 1 35 LEU H 2.555 . 3.371 2.656 2.490 2.832 . 0 0 "[ . 1]" 1
421 1 34 ASN HA 1 74 LYS HE2 2.545 . 3.355 3.179 1.734 3.421 0.066 2 0 "[ . 1]" 1
422 1 34 ASN HA 1 74 LYS HE3 2.368 . 3.069 2.807 1.709 3.380 0.311 4 0 "[ . 1]" 1
423 1 34 ASN HA 1 74 LYS QG 3.704 . 5.419 3.120 2.403 3.710 . 0 0 "[ . 1]" 1
424 1 34 ASN HB3 1 47 GLY H 2.428 . 3.165 3.075 2.619 3.387 0.222 4 0 "[ . 1]" 1
425 1 35 LEU H 1 35 LEU HA 2.792 . 3.766 2.930 2.910 2.941 . 0 0 "[ . 1]" 1
426 1 35 LEU H 1 35 LEU HB2 2.624 . 3.485 2.567 2.519 2.615 . 0 0 "[ . 1]" 1
427 1 35 LEU H 1 35 LEU HB3 2.963 . 4.061 3.677 3.629 3.722 . 0 0 "[ . 1]" 1
428 1 35 LEU H 1 35 LEU MD2 3.126 . 4.347 3.855 3.743 3.935 . 0 0 "[ . 1]" 1
429 1 35 LEU H 1 35 LEU HG 2.411 . 3.138 2.595 2.450 2.721 . 0 0 "[ . 1]" 1
430 1 35 LEU HA 1 35 LEU HB2 2.678 . 3.574 3.021 3.016 3.027 . 0 0 "[ . 1]" 1
431 1 35 LEU HA 1 35 LEU HB3 2.721 . 3.646 2.422 2.405 2.443 . 0 0 "[ . 1]" 1
432 1 35 LEU HA 1 35 LEU MD2 2.233 . 2.856 2.265 2.183 2.392 . 0 0 "[ . 1]" 1
433 1 35 LEU HA 1 36 TRP H 2.479 . 3.247 2.272 2.223 2.366 . 0 0 "[ . 1]" 1
434 1 35 LEU HA 1 46 CYS HA 2.086 . 2.630 1.866 1.699 2.103 . 0 0 "[ . 1]" 1
435 1 35 LEU HA 1 47 GLY H 3.155 . 4.400 3.710 3.398 3.963 . 0 0 "[ . 1]" 1
436 1 35 LEU HB2 1 35 LEU MD1 2.261 . 2.900 2.212 2.199 2.239 . 0 0 "[ . 1]" 1
437 1 35 LEU HB2 1 35 LEU MD2 2.825 . 3.822 3.158 3.146 3.179 . 0 0 "[ . 1]" 1
438 1 35 LEU HB2 1 35 LEU HG 2.311 . 2.979 2.612 2.584 2.636 . 0 0 "[ . 1]" 1
439 1 35 LEU HB2 1 44 VAL MG1 3.716 . 5.442 3.353 3.071 3.524 . 0 0 "[ . 1]" 1
440 1 35 LEU HB2 1 75 LEU MD1 2.468 . 3.229 1.713 1.587 1.792 0.120 4 0 "[ . 1]" 1
441 1 35 LEU HB3 1 35 LEU HG 2.282 . 2.933 2.987 2.980 2.997 0.064 10 0 "[ . 1]" 1
442 1 35 LEU HB3 1 36 TRP H 2.519 . 3.312 2.718 2.511 2.954 . 0 0 "[ . 1]" 1
443 1 35 LEU HB3 1 75 LEU MD1 2.721 . 3.647 2.150 1.990 2.281 . 0 0 "[ . 1]" 1
444 1 35 LEU MD1 1 35 LEU MD2 2.734 . 3.668 2.071 2.058 2.079 . 0 0 "[ . 1]" 1
445 1 35 LEU MD1 1 35 LEU HG 3.062 . 4.234 2.125 2.120 2.131 . 0 0 "[ . 1]" 1
446 1 35 LEU MD1 1 46 CYS HB3 3.735 . 5.478 4.622 4.397 4.788 . 0 0 "[ . 1]" 1
447 1 35 LEU MD1 1 75 LEU HB3 3.189 . 4.460 3.463 3.350 3.566 . 0 0 "[ . 1]" 1
448 1 35 LEU MD1 1 75 LEU MD1 2.967 . 4.067 2.361 2.307 2.423 . 0 0 "[ . 1]" 1
449 1 35 LEU MD2 1 35 LEU HG 2.032 . 2.548 2.124 2.117 2.127 . 0 0 "[ . 1]" 1
450 1 35 LEU MD2 1 36 TRP H 2.983 . 4.095 3.562 3.398 3.728 . 0 0 "[ . 1]" 1
451 1 35 LEU MD2 1 45 LEU HA 3.285 . 4.634 4.071 3.937 4.177 . 0 0 "[ . 1]" 1
452 1 35 LEU MD2 1 46 CYS H 3.136 . 4.366 4.074 3.899 4.154 . 0 0 "[ . 1]" 1
453 1 35 LEU MD2 1 46 CYS HA 2.284 . 2.936 2.731 2.430 2.997 0.061 1 0 "[ . 1]" 1
454 1 35 LEU MD2 1 46 CYS HB2 2.695 . 3.603 2.558 2.353 2.778 . 0 0 "[ . 1]" 1
455 1 35 LEU MD2 1 46 CYS HB3 2.318 . 2.989 1.855 1.572 2.046 0.075 1 0 "[ . 1]" 1
456 1 35 LEU MD2 1 47 GLY H 3.328 . 4.713 4.235 4.000 4.457 . 0 0 "[ . 1]" 1
457 1 36 TRP H 1 36 TRP QB 2.743 . 3.683 2.623 2.459 2.801 . 0 0 "[ . 1]" 1
458 1 36 TRP H 1 37 LEU H 3.684 . 5.380 4.105 4.024 4.205 . 0 0 "[ . 1]" 1
459 1 36 TRP H 1 44 VAL MG1 3.237 . 4.546 3.436 3.205 3.656 . 0 0 "[ . 1]" 1
460 1 36 TRP H 1 45 LEU H 2.870 . 3.900 2.695 2.386 2.857 . 0 0 "[ . 1]" 1
461 1 36 TRP H 1 46 CYS HA 3.222 . 4.519 2.853 2.341 3.115 . 0 0 "[ . 1]" 1
462 1 36 TRP H 1 72 ALA MB 3.559 . 5.142 4.571 4.422 4.800 . 0 0 "[ . 1]" 1
463 1 36 TRP HA 1 36 TRP QB 2.368 . 3.069 2.360 2.248 2.488 . 0 0 "[ . 1]" 1
464 1 36 TRP HA 1 37 LEU H 2.413 . 3.141 2.103 2.055 2.150 . 0 0 "[ . 1]" 1
465 1 36 TRP HA 1 44 VAL MG1 3.402 . 4.849 4.658 4.575 4.775 . 0 0 "[ . 1]" 1
466 1 36 TRP HA 1 74 LYS HA 2.486 . 3.258 2.717 2.556 2.869 . 0 0 "[ . 1]" 1
467 1 36 TRP HA 1 75 LEU H 2.803 . 3.785 3.246 3.001 3.476 . 0 0 "[ . 1]" 1
468 1 36 TRP QB 1 36 TRP HD1 2.276 . 2.924 2.661 2.477 2.972 0.048 1 0 "[ . 1]" 1
469 1 36 TRP QB 1 37 LEU H 3.051 . 4.215 3.480 3.357 3.545 . 0 0 "[ . 1]" 1
470 1 36 TRP QB 1 45 LEU H 2.995 . 4.116 3.200 2.730 3.527 . 0 0 "[ . 1]" 1
471 1 36 TRP QB 1 72 ALA MB 2.110 . 2.667 1.720 1.478 1.892 0.075 6 0 "[ . 1]" 1
472 1 37 LEU H 1 37 LEU HA 2.948 . 4.035 2.908 2.899 2.917 . 0 0 "[ . 1]" 1
473 1 37 LEU H 1 37 LEU HB2 2.448 . 3.197 2.390 2.365 2.451 . 0 0 "[ . 1]" 1
474 1 37 LEU H 1 37 LEU HB3 2.428 . 3.165 2.661 2.609 2.689 . 0 0 "[ . 1]" 1
475 1 37 LEU H 1 37 LEU MD1 3.519 . 5.067 4.219 4.181 4.266 . 0 0 "[ . 1]" 1
476 1 37 LEU H 1 73 VAL H 2.781 . 3.748 2.803 2.641 2.973 . 0 0 "[ . 1]" 1
477 1 37 LEU H 1 73 VAL MG2 3.751 . 5.510 4.306 4.115 4.395 . 0 0 "[ . 1]" 1
478 1 37 LEU H 1 74 LYS HA 2.856 . 3.876 3.874 3.809 3.969 0.093 1 0 "[ . 1]" 1
479 1 37 LEU H 1 75 LEU HB2 3.507 . 5.044 5.047 4.984 5.100 0.056 3 0 "[ . 1]" 1
480 1 37 LEU H 1 75 LEU MD2 3.149 . 4.389 3.247 2.960 3.388 . 0 0 "[ . 1]" 1
481 1 37 LEU HA 1 37 LEU HB2 2.403 . 3.125 2.602 2.574 2.613 . 0 0 "[ . 1]" 1
482 1 37 LEU HA 1 37 LEU HB3 2.451 . 3.202 3.010 3.003 3.019 . 0 0 "[ . 1]" 1
483 1 37 LEU HA 1 37 LEU MD2 2.383 . 3.093 2.521 2.474 2.630 . 0 0 "[ . 1]" 1
484 1 37 LEU HA 1 37 LEU HG 2.813 . 3.802 2.652 2.579 2.685 . 0 0 "[ . 1]" 1
485 1 37 LEU HA 1 38 ASN H 2.252 . 2.886 2.186 2.164 2.201 . 0 0 "[ . 1]" 1
486 1 37 LEU HA 1 44 VAL HA 2.322 . 2.996 2.253 2.116 2.540 . 0 0 "[ . 1]" 1
487 1 37 LEU HA 1 44 VAL MG1 2.727 . 3.657 3.182 2.983 3.349 . 0 0 "[ . 1]" 1
488 1 37 LEU HA 1 44 VAL MG2 2.331 . 3.010 2.415 2.147 2.756 . 0 0 "[ . 1]" 1
489 1 37 LEU HA 1 45 LEU H 3.225 . 4.525 3.671 3.391 3.936 . 0 0 "[ . 1]" 1
490 1 37 LEU HB2 1 37 LEU MD1 2.461 . 3.218 2.399 2.341 2.427 . 0 0 "[ . 1]" 1
491 1 37 LEU HB2 1 37 LEU MD2 2.933 . 4.008 3.219 3.212 3.224 . 0 0 "[ . 1]" 1
492 1 37 LEU HB2 1 38 ASN H 3.264 . 4.596 4.568 4.547 4.584 . 0 0 "[ . 1]" 1
493 1 37 LEU HB2 1 75 LEU MD2 2.536 . 3.340 1.599 1.417 1.748 0.315 8 0 "[ . 1]" 1
494 1 37 LEU HB3 1 37 LEU MD1 2.233 . 2.856 2.214 2.167 2.247 . 0 0 "[ . 1]" 1
495 1 37 LEU HB3 1 37 LEU MD2 2.500 . 3.282 2.473 2.393 2.497 . 0 0 "[ . 1]" 1
496 1 37 LEU HB3 1 38 ASN H 3.346 . 4.745 4.277 4.255 4.304 . 0 0 "[ . 1]" 1
497 1 37 LEU HB3 1 73 VAL H 2.889 . 3.932 2.865 2.740 2.933 . 0 0 "[ . 1]" 1
498 1 37 LEU HB3 1 75 LEU MD1 2.938 . 4.017 3.691 3.528 3.843 . 0 0 "[ . 1]" 1
499 1 37 LEU HB3 1 75 LEU MD2 2.733 . 3.667 2.572 2.474 2.694 . 0 0 "[ . 1]" 1
500 1 37 LEU MD1 1 73 VAL HB 2.426 . 3.162 3.143 3.081 3.204 0.042 1 0 "[ . 1]" 1
501 1 37 LEU MD1 1 75 LEU MD2 2.843 . 3.853 1.949 1.828 2.092 0.005 9 0 "[ . 1]" 1
502 1 37 LEU MD2 1 37 LEU HG 1.937 . 2.406 2.128 2.126 2.130 . 0 0 "[ . 1]" 1
503 1 37 LEU MD2 1 38 ASN H 2.841 . 3.850 2.696 2.570 2.834 . 0 0 "[ . 1]" 1
504 1 37 LEU MD2 1 39 LEU H 3.716 . 5.442 4.568 4.398 4.678 . 0 0 "[ . 1]" 1
505 1 37 LEU MD2 1 42 GLY H 3.243 . 4.557 3.870 3.686 4.159 . 0 0 "[ . 1]" 1
506 1 37 LEU MD2 1 42 GLY HA2 2.629 . 3.493 2.270 2.107 2.460 . 0 0 "[ . 1]" 1
507 1 37 LEU MD2 1 42 GLY HA3 2.906 . 3.962 3.428 3.210 3.576 . 0 0 "[ . 1]" 1
508 1 37 LEU MD2 1 43 SER H 3.489 . 5.010 4.185 4.009 4.607 . 0 0 "[ . 1]" 1
509 1 37 LEU MD2 1 44 VAL MG2 2.644 . 3.518 2.806 2.587 3.120 . 0 0 "[ . 1]" 1
510 1 37 LEU HG 1 38 ASN H 3.135 . 4.364 4.270 4.192 4.374 0.010 2 0 "[ . 1]" 1
511 1 38 ASN H 1 38 ASN QB 2.563 . 3.384 2.224 2.148 2.259 . 0 0 "[ . 1]" 1
512 1 38 ASN H 1 44 VAL HA 3.427 . 4.895 3.072 2.899 3.198 . 0 0 "[ . 1]" 1
513 1 38 ASN HA 1 38 ASN QB 2.583 . 3.417 2.368 2.305 2.490 . 0 0 "[ . 1]" 1
514 1 38 ASN HA 1 39 LEU H 2.385 . 3.096 2.171 2.148 2.199 . 0 0 "[ . 1]" 1
515 1 38 ASN HA 1 39 LEU MD1 4.455 . 6.936 5.394 5.118 5.755 . 0 0 "[ . 1]" 1
516 1 38 ASN HA 1 39 LEU MD2 2.665 . 3.552 3.158 3.024 3.518 . 0 0 "[ . 1]" 1
517 1 38 ASN HA 1 72 ALA HA 2.211 . 2.822 2.252 2.079 2.395 . 0 0 "[ . 1]" 1
518 1 38 ASN HA 1 72 ALA MB 2.479 . 3.247 2.433 2.219 2.644 . 0 0 "[ . 1]" 1
519 1 38 ASN HA 1 73 VAL H 3.355 . 4.762 3.779 3.655 3.923 . 0 0 "[ . 1]" 1
520 1 38 ASN QB 1 43 SER H 3.364 . 4.778 2.057 1.882 2.288 0.068 7 0 "[ . 1]" 1
521 1 38 ASN QB 1 44 VAL H 3.468 . 4.971 4.762 4.669 4.939 . 0 0 "[ . 1]" 1
522 1 39 LEU H 1 39 LEU HA 2.451 . 3.202 2.862 2.835 2.888 . 0 0 "[ . 1]" 1
523 1 39 LEU H 1 39 LEU HB2 2.580 . 3.412 2.245 2.209 2.319 . 0 0 "[ . 1]" 1
524 1 39 LEU H 1 39 LEU HB3 2.920 . 3.986 3.525 3.505 3.568 . 0 0 "[ . 1]" 1
525 1 39 LEU H 1 39 LEU MD2 2.662 . 3.548 2.349 2.184 2.498 . 0 0 "[ . 1]" 1
526 1 39 LEU H 1 39 LEU HG 3.080 . 4.266 3.709 3.094 3.963 . 0 0 "[ . 1]" 1
527 1 39 LEU H 1 40 THR H 2.745 . 3.687 2.541 2.456 2.606 . 0 0 "[ . 1]" 1
528 1 39 LEU H 1 71 LEU MD1 3.773 . 5.553 4.925 4.880 4.979 . 0 0 "[ . 1]" 1
529 1 39 LEU H 1 72 ALA HA 2.719 . 3.643 2.804 2.652 2.967 . 0 0 "[ . 1]" 1
530 1 39 LEU HA 1 39 LEU HB2 2.411 . 3.138 2.990 2.984 3.002 . 0 0 "[ . 1]" 1
531 1 39 LEU HA 1 39 LEU HB3 2.345 . 3.033 2.613 2.551 2.641 . 0 0 "[ . 1]" 1
532 1 39 LEU HA 1 39 LEU MD1 2.426 . 3.162 2.378 2.065 3.173 0.011 8 0 "[ . 1]" 1
533 1 39 LEU HA 1 39 LEU MD2 1.913 . 2.371 2.072 1.861 2.335 . 0 0 "[ . 1]" 1
534 1 39 LEU HA 1 39 LEU HG 2.890 . 3.934 3.677 3.544 3.719 . 0 0 "[ . 1]" 1
535 1 39 LEU HA 1 40 THR H 3.530 . 5.088 3.360 3.305 3.420 . 0 0 "[ . 1]" 1
536 1 39 LEU HB2 1 39 LEU MD1 2.833 . 3.836 3.100 2.823 3.188 . 0 0 "[ . 1]" 1
537 1 39 LEU HB2 1 39 LEU MD2 2.451 . 3.202 2.636 2.469 2.988 . 0 0 "[ . 1]" 1
538 1 39 LEU HB3 1 39 LEU MD1 2.034 . 2.551 2.225 2.102 2.287 . 0 0 "[ . 1]" 1
539 1 39 LEU MD1 1 39 LEU HG 2.924 . 3.993 2.124 2.117 2.131 . 0 0 "[ . 1]" 1
540 1 39 LEU MD1 1 96 ASP QB 3.693 . 5.397 3.324 2.554 3.971 . 0 0 "[ . 1]" 1
541 1 39 LEU MD1 1 102 HIS HA 3.453 . 4.944 4.292 4.005 4.527 . 0 0 "[ . 1]" 1
542 1 39 LEU MD1 1 102 HIS HB2 3.019 . 4.159 2.751 2.334 3.375 . 0 0 "[ . 1]" 1
543 1 39 LEU MD1 1 102 HIS HB3 2.749 . 3.693 2.891 2.377 3.365 . 0 0 "[ . 1]" 1
544 1 39 LEU MD2 1 39 LEU HG 2.426 . 3.162 2.120 2.117 2.128 . 0 0 "[ . 1]" 1
545 1 39 LEU MD2 1 40 THR H 3.179 . 4.442 4.137 4.098 4.169 . 0 0 "[ . 1]" 1
546 1 39 LEU MD2 1 72 ALA HA 2.635 . 3.503 2.113 1.971 2.955 . 0 0 "[ . 1]" 1
547 1 39 LEU MD2 1 102 HIS HB2 3.570 . 5.163 4.675 4.276 5.268 0.105 1 0 "[ . 1]" 1
548 1 39 LEU HG 1 72 ALA HA 3.135 . 4.363 4.230 3.386 4.486 0.123 7 0 "[ . 1]" 1
549 1 40 THR H 1 40 THR HB 2.500 . 3.282 2.498 2.410 2.547 . 0 0 "[ . 1]" 1
550 1 40 THR H 1 40 THR MG 3.350 . 4.753 3.793 3.753 3.823 . 0 0 "[ . 1]" 1
551 1 40 THR H 1 41 ASP H 2.662 . 3.548 2.734 2.643 2.948 . 0 0 "[ . 1]" 1
552 1 40 THR H 1 43 SER H 3.378 . 4.804 4.850 4.815 4.885 0.081 4 0 "[ . 1]" 1
553 1 40 THR H 1 69 TYR HB3 3.637 . 5.290 4.246 3.962 4.732 . 0 0 "[ . 1]" 1
554 1 40 THR HA 1 40 THR MG 2.426 . 3.162 2.429 2.371 2.515 . 0 0 "[ . 1]" 1
555 1 40 THR HB 1 40 THR MG 2.188 . 2.787 2.137 2.133 2.141 . 0 0 "[ . 1]" 1
556 1 40 THR HB 1 41 ASP H 2.489 . 3.264 2.081 1.899 2.267 . 0 0 "[ . 1]" 1
557 1 40 THR HB 1 69 TYR HA 3.728 . 5.466 5.437 5.230 5.601 0.135 7 0 "[ . 1]" 1
558 1 40 THR HB 1 69 TYR HB2 2.432 . 3.172 3.357 2.894 3.659 0.487 8 0 "[ . 1]" 1
559 1 40 THR HB 1 69 TYR HB3 2.773 . 3.734 3.167 3.026 3.262 . 0 0 "[ . 1]" 1
560 1 40 THR MG 1 41 ASP H 2.844 . 3.855 2.732 2.655 2.857 . 0 0 "[ . 1]" 1
561 1 40 THR MG 1 41 ASP HB2 3.002 . 4.128 4.000 3.967 4.033 . 0 0 "[ . 1]" 1
562 1 40 THR MG 1 41 ASP HB3 2.629 . 3.493 2.616 2.510 2.715 . 0 0 "[ . 1]" 1
563 1 40 THR MG 1 69 TYR HB2 3.598 . 5.216 3.935 3.381 4.389 . 0 0 "[ . 1]" 1
564 1 41 ASP H 1 41 ASP HA 2.741 . 3.680 2.923 2.906 2.935 . 0 0 "[ . 1]" 1
565 1 41 ASP H 1 41 ASP HB2 3.061 . 4.232 3.676 3.636 3.713 . 0 0 "[ . 1]" 1
566 1 41 ASP H 1 41 ASP HB3 3.138 . 4.369 2.731 2.554 3.004 . 0 0 "[ . 1]" 1
567 1 41 ASP H 1 42 GLY H 2.442 . 3.187 2.315 2.157 2.460 . 0 0 "[ . 1]" 1
568 1 41 ASP HA 1 41 ASP HB2 1.972 . 2.458 2.402 2.349 2.494 0.036 3 0 "[ . 1]" 1
569 1 41 ASP HA 1 41 ASP HB3 2.318 . 2.989 2.499 2.397 2.568 . 0 0 "[ . 1]" 1
570 1 41 ASP HA 1 42 GLY H 3.477 . 4.988 3.266 3.133 3.461 . 0 0 "[ . 1]" 1
571 1 42 GLY H 1 42 GLY HA2 2.553 . 3.368 2.324 2.289 2.441 . 0 0 "[ . 1]" 1
572 1 42 GLY H 1 42 GLY HA3 2.375 . 3.080 2.882 2.817 2.958 . 0 0 "[ . 1]" 1
573 1 42 GLY H 1 43 SER H 2.734 . 3.668 2.490 2.041 2.705 . 0 0 "[ . 1]" 1
574 1 42 GLY HA2 1 43 SER H 3.167 . 4.421 3.118 3.008 3.233 . 0 0 "[ . 1]" 1
575 1 42 GLY HA3 1 43 SER H 3.122 . 4.340 3.434 3.352 3.489 . 0 0 "[ . 1]" 1
576 1 43 SER H 1 43 SER HA 2.841 . 3.850 2.830 2.802 2.858 . 0 0 "[ . 1]" 1
577 1 43 SER H 1 43 SER QB 2.720 . 2.914 2.403 2.308 2.707 . 0 0 "[ . 1]" 1
578 1 43 SER HA 1 43 SER QB 2.336 . 3.018 2.392 2.186 2.441 . 0 0 "[ . 1]" 1
579 1 43 SER HA 1 44 VAL H 2.128 . 2.694 2.137 2.092 2.181 . 0 0 "[ . 1]" 1
580 1 43 SER HA 1 44 VAL HB 3.491 . 5.014 4.668 4.603 4.727 . 0 0 "[ . 1]" 1
581 1 43 SER QB 1 44 VAL H 2.843 . 3.853 3.531 3.348 3.634 . 0 0 "[ . 1]" 1
582 1 43 SER QB 1 45 LEU QD 3.089 . 3.465 2.487 1.879 2.785 0.074 8 0 "[ . 1]" 1
583 1 43 SER QB 1 45 LEU HG 2.765 . 3.721 2.821 2.224 3.061 . 0 0 "[ . 1]" 1
584 1 44 VAL H 1 44 VAL HA 2.705 . 3.620 2.907 2.885 2.920 . 0 0 "[ . 1]" 1
585 1 44 VAL H 1 44 VAL HB 2.307 . 2.972 2.549 2.525 2.568 . 0 0 "[ . 1]" 1
586 1 44 VAL H 1 44 VAL MG2 2.745 . 3.687 2.365 2.250 2.446 . 0 0 "[ . 1]" 1
587 1 44 VAL H 1 45 LEU QD 3.179 . 4.442 3.923 3.706 4.023 . 0 0 "[ . 1]" 1
588 1 44 VAL HA 1 44 VAL HB 2.544 . 3.353 3.027 3.024 3.030 . 0 0 "[ . 1]" 1
589 1 44 VAL HA 1 44 VAL MG1 2.278 . 2.927 2.380 2.328 2.437 . 0 0 "[ . 1]" 1
590 1 44 VAL HA 1 44 VAL MG2 2.363 . 3.061 2.419 2.384 2.461 . 0 0 "[ . 1]" 1
591 1 44 VAL HA 1 45 LEU H 2.170 . 2.758 2.104 2.081 2.137 . 0 0 "[ . 1]" 1
592 1 44 VAL HB 1 44 VAL MG1 2.411 . 3.138 2.130 2.126 2.134 . 0 0 "[ . 1]" 1
593 1 44 VAL HB 1 44 VAL MG2 2.408 . 3.133 2.128 2.125 2.133 . 0 0 "[ . 1]" 1
594 1 44 VAL MG1 1 45 LEU H 2.468 . 3.229 2.883 2.761 3.017 . 0 0 "[ . 1]" 1
595 1 44 VAL MG1 1 75 LEU MD1 2.093 . 2.640 1.891 1.736 2.105 . 0 0 "[ . 1]" 1
596 1 44 VAL MG2 1 75 LEU MD1 2.294 . 2.952 2.666 2.563 2.714 . 0 0 "[ . 1]" 1
597 1 45 LEU H 1 45 LEU HA 2.819 . 3.812 2.948 2.946 2.950 . 0 0 "[ . 1]" 1
598 1 45 LEU H 1 45 LEU HB2 3.050 . 4.213 2.650 2.605 2.714 . 0 0 "[ . 1]" 1
599 1 45 LEU H 1 45 LEU QD 3.593 . 5.207 3.350 3.295 3.409 . 0 0 "[ . 1]" 1
600 1 45 LEU H 1 46 CYS H 3.449 . 4.936 4.380 4.315 4.438 . 0 0 "[ . 1]" 1
601 1 45 LEU HA 1 45 LEU HB3 2.183 . 2.778 2.433 2.419 2.446 . 0 0 "[ . 1]" 1
602 1 45 LEU HA 1 45 LEU QD 2.278 . 2.927 2.012 1.913 2.068 0.065 10 0 "[ . 1]" 1
603 1 45 LEU HA 1 45 LEU HG 2.750 . 3.695 3.162 3.124 3.193 . 0 0 "[ . 1]" 1
604 1 45 LEU HA 1 46 CYS H 2.205 . 2.813 2.731 2.641 2.825 0.012 1 0 "[ . 1]" 1
605 1 45 LEU HB2 1 45 LEU QD 2.988 . 3.699 2.280 2.222 2.314 . 0 0 "[ . 1]" 1
606 1 45 LEU HB2 1 45 LEU HG 2.544 . 3.353 2.475 2.432 2.492 . 0 0 "[ . 1]" 1
607 1 45 LEU HB2 1 46 CYS H 3.422 . 4.886 3.083 2.949 3.252 . 0 0 "[ . 1]" 1
608 1 45 LEU HB2 1 60 ALA HA 3.106 . 4.312 4.134 3.399 4.411 0.099 4 0 "[ . 1]" 1
609 1 45 LEU HB3 1 45 LEU QD 2.553 . 3.368 2.130 2.092 2.159 . 0 0 "[ . 1]" 1
610 1 45 LEU HB3 1 45 LEU HG 2.461 . 3.218 3.020 3.018 3.022 . 0 0 "[ . 1]" 1
611 1 45 LEU HB3 1 46 CYS H 2.995 . 4.116 2.145 2.003 2.297 . 0 0 "[ . 1]" 1
612 1 45 LEU HB3 1 59 HIS HB3 2.876 . 3.910 3.742 2.793 4.301 0.391 1 0 "[ . 1]" 1
613 1 45 LEU HB3 1 60 ALA HA 3.287 . 4.638 4.270 3.775 4.528 . 0 0 "[ . 1]" 1
614 1 45 LEU MD1 1 45 LEU MD2 2.734 . 3.669 2.085 2.071 2.098 . 0 0 "[ . 1]" 1
615 1 45 LEU QD 1 46 CYS H 3.177 . 4.438 3.471 3.379 3.520 . 0 0 "[ . 1]" 1
616 1 45 LEU QD 1 59 HIS HB2 3.189 . 4.460 1.706 1.539 2.004 0.379 7 0 "[ . 1]" 1
617 1 45 LEU QD 1 59 HIS HB3 2.520 . 3.314 2.276 1.537 2.702 0.434 2 0 "[ . 1]" 1
618 1 45 LEU QD 1 60 ALA HA 2.601 . 3.446 2.207 2.116 2.313 . 0 0 "[ . 1]" 1
619 1 45 LEU QD 1 63 HIS H 3.093 . 4.288 3.423 3.133 3.596 . 0 0 "[ . 1]" 1
620 1 45 LEU QD 1 63 HIS HB2 2.290 . 2.946 2.077 1.765 2.265 . 0 0 "[ . 1]" 1
621 1 45 LEU QD 1 63 HIS HB3 2.634 . 3.501 2.757 2.564 2.969 . 0 0 "[ . 1]" 1
622 1 46 CYS H 1 46 CYS HA 2.536 . 3.340 2.925 2.903 2.951 . 0 0 "[ . 1]" 1
623 1 46 CYS H 1 46 CYS HB2 3.022 . 4.164 3.955 3.897 4.044 . 0 0 "[ . 1]" 1
624 1 46 CYS H 1 46 CYS HB3 2.631 . 3.496 3.145 3.012 3.264 . 0 0 "[ . 1]" 1
625 1 46 CYS H 1 59 HIS HB2 3.427 . 4.895 3.936 2.856 4.718 . 0 0 "[ . 1]" 1
626 1 46 CYS H 1 59 HIS HB3 3.359 . 4.769 4.927 4.347 5.310 0.541 1 1 "[+ . 1]" 1
627 1 46 CYS HA 1 46 CYS HB2 2.426 . 3.162 2.350 2.321 2.381 . 0 0 "[ . 1]" 1
628 1 46 CYS HA 1 46 CYS HB3 2.439 . 3.182 2.557 2.509 2.624 . 0 0 "[ . 1]" 1
629 1 46 CYS HA 1 47 GLY H 2.132 . 2.700 2.549 2.293 2.699 . 0 0 "[ . 1]" 1
630 1 46 CYS HB2 1 47 GLY H 3.193 . 4.467 2.348 2.064 2.831 . 0 0 "[ . 1]" 1
631 1 46 CYS HB3 1 47 GLY H 3.061 . 4.232 3.785 3.562 4.107 . 0 0 "[ . 1]" 1
632 1 47 GLY H 1 56 GLY HA2 3.477 . 4.988 4.838 4.463 5.056 0.068 6 0 "[ . 1]" 1
633 1 55 GLY HA3 1 56 GLY H 2.638 . 3.508 2.851 2.164 3.538 0.030 6 0 "[ . 1]" 1
634 1 56 GLY H 1 56 GLY HA2 2.848 . 3.862 2.476 2.337 2.593 . 0 0 "[ . 1]" 1
635 1 56 GLY H 1 56 GLY HA3 2.822 . 3.817 2.945 2.907 2.958 . 0 0 "[ . 1]" 1
636 1 57 ASN HA 1 57 ASN QB 2.576 . 3.406 2.399 2.300 2.484 . 0 0 "[ . 1]" 1
637 1 57 ASN HA 1 58 GLY H 3.392 . 4.830 2.459 2.143 2.671 . 0 0 "[ . 1]" 1
638 1 59 HIS HA 1 59 HIS HB3 2.329 . 3.007 2.314 2.256 2.431 . 0 0 "[ . 1]" 1
639 1 59 HIS HA 1 62 GLU HB2 2.148 . 2.725 2.486 1.892 2.849 0.124 2 0 "[ . 1]" 1
640 1 59 HIS HA 1 62 GLU HB3 3.232 . 4.538 4.012 3.439 4.399 . 0 0 "[ . 1]" 1
641 1 59 HIS HA 1 62 GLU HG2 2.824 . 3.821 3.403 2.871 3.966 0.145 4 0 "[ . 1]" 1
642 1 60 ALA H 1 60 ALA HA 2.668 . 3.558 2.816 2.771 2.845 . 0 0 "[ . 1]" 1
643 1 60 ALA H 1 60 ALA MB 2.389 . 3.102 2.245 2.231 2.257 . 0 0 "[ . 1]" 1
644 1 60 ALA HA 1 63 HIS H 3.491 . 5.014 3.416 3.361 3.480 . 0 0 "[ . 1]" 1
645 1 60 ALA HA 1 63 HIS HB2 2.553 . 3.368 3.421 3.382 3.459 0.091 5 0 "[ . 1]" 1
646 1 60 ALA HA 1 63 HIS HB3 2.272 . 2.917 2.842 2.618 2.995 0.078 3 0 "[ . 1]" 1
647 1 61 LEU HA 1 61 LEU HB2 2.570 . 3.395 2.671 2.443 3.007 . 0 0 "[ . 1]" 1
648 1 61 LEU HA 1 61 LEU HB3 2.455 . 3.208 2.688 2.345 3.021 . 0 0 "[ . 1]" 1
649 1 61 LEU HA 1 61 LEU MD2 2.785 . 3.754 3.251 2.229 4.002 0.248 1 0 "[ . 1]" 1
650 1 61 LEU HA 1 61 LEU HG 2.846 . 3.858 3.279 3.116 3.655 . 0 0 "[ . 1]" 1
651 1 61 LEU HA 1 64 TYR H 2.967 . 4.067 3.454 3.199 3.544 . 0 0 "[ . 1]" 1
652 1 61 LEU HA 1 64 TYR HB2 2.455 . 3.208 3.352 2.942 3.874 0.666 9 1 "[ . +1]" 1
653 1 61 LEU HB2 1 61 LEU MD1 2.872 . 3.903 2.324 2.152 2.387 . 0 0 "[ . 1]" 1
654 1 61 LEU HB2 1 61 LEU MD2 2.958 . 4.052 2.750 2.367 3.204 . 0 0 "[ . 1]" 1
655 1 61 LEU HB2 1 62 GLU H 2.703 . 3.617 3.099 2.237 3.715 0.098 3 0 "[ . 1]" 1
656 1 61 LEU HB3 1 62 GLU H 2.443 . 3.189 2.989 2.273 3.804 0.615 1 1 "[+ . 1]" 1
657 1 61 LEU MD2 1 61 LEU HG 2.752 . 3.698 2.129 2.126 2.132 . 0 0 "[ . 1]" 1
658 1 61 LEU HG 1 62 GLU H 2.627 . 3.489 3.400 1.969 3.628 0.139 10 0 "[ . 1]" 1
659 1 62 GLU H 1 62 GLU HA 2.577 . 3.407 2.772 2.738 2.802 . 0 0 "[ . 1]" 1
660 1 62 GLU H 1 62 GLU HB2 2.276 . 2.924 2.568 2.459 2.655 . 0 0 "[ . 1]" 1
661 1 62 GLU H 1 62 GLU HB3 2.786 . 3.756 3.585 3.561 3.603 . 0 0 "[ . 1]" 1
662 1 62 GLU H 1 62 GLU HG2 2.644 . 3.518 2.416 1.964 3.253 . 0 0 "[ . 1]" 1
663 1 62 GLU H 1 62 GLU HG3 2.667 . 3.556 3.074 1.905 3.622 0.066 1 0 "[ . 1]" 1
664 1 62 GLU HA 1 62 GLU HB2 2.316 . 2.986 3.018 3.009 3.025 0.039 2 0 "[ . 1]" 1
665 1 62 GLU HA 1 62 GLU HB3 2.311 . 2.979 2.462 2.405 2.532 . 0 0 "[ . 1]" 1
666 1 62 GLU HA 1 62 GLU HG2 2.497 . 3.276 2.940 2.623 3.226 . 0 0 "[ . 1]" 1
667 1 62 GLU HA 1 62 GLU HG3 2.959 . 4.054 3.569 3.047 3.807 . 0 0 "[ . 1]" 1
668 1 62 GLU HA 1 63 HIS H 3.397 . 4.839 3.546 3.530 3.562 . 0 0 "[ . 1]" 1
669 1 62 GLU HA 1 65 ARG H 2.829 . 3.830 3.453 3.225 3.683 . 0 0 "[ . 1]" 1
670 1 62 GLU HA 1 65 ARG QB 2.276 . 2.924 2.706 2.447 2.902 . 0 0 "[ . 1]" 1
671 1 62 GLU HA 1 65 ARG HD3 2.895 . 3.942 3.111 2.185 3.887 . 0 0 "[ . 1]" 1
672 1 62 GLU HA 1 66 ASP H 3.232 . 4.538 4.142 3.802 4.424 . 0 0 "[ . 1]" 1
673 1 62 GLU HB2 1 63 HIS H 2.522 . 3.317 2.518 2.327 2.728 . 0 0 "[ . 1]" 1
674 1 63 HIS H 1 63 HIS HA 2.516 . 3.307 2.830 2.801 2.869 . 0 0 "[ . 1]" 1
675 1 63 HIS H 1 63 HIS HB2 2.307 . 2.972 2.458 2.265 2.544 . 0 0 "[ . 1]" 1
676 1 63 HIS H 1 63 HIS HB3 2.292 . 2.948 2.653 2.529 2.835 . 0 0 "[ . 1]" 1
677 1 63 HIS H 1 64 TYR H 2.890 . 3.934 2.601 2.440 2.747 . 0 0 "[ . 1]" 1
678 1 63 HIS HA 1 63 HIS HB3 2.567 . 3.390 3.018 2.992 3.031 . 0 0 "[ . 1]" 1
679 1 63 HIS HA 1 66 ASP H 2.837 . 3.843 3.092 2.674 3.625 . 0 0 "[ . 1]" 1
680 1 63 HIS HA 1 66 ASP QB 2.296 . 2.955 2.371 1.733 2.926 . 0 0 "[ . 1]" 1
681 1 63 HIS HB3 1 64 TYR H 2.793 . 3.768 2.779 2.423 3.016 . 0 0 "[ . 1]" 1
682 1 64 TYR H 1 64 TYR HA 2.819 . 3.813 2.835 2.790 2.862 . 0 0 "[ . 1]" 1
683 1 64 TYR H 1 64 TYR HB2 2.451 . 3.202 2.526 2.438 2.721 . 0 0 "[ . 1]" 1
684 1 64 TYR H 1 64 TYR HB3 2.781 . 3.748 2.620 2.333 3.622 . 0 0 "[ . 1]" 1
685 1 64 TYR H 1 65 ARG H 2.816 . 3.808 2.520 2.419 2.718 . 0 0 "[ . 1]" 1
686 1 64 TYR HA 1 64 TYR HB2 2.624 . 3.485 2.529 2.382 3.027 . 0 0 "[ . 1]" 1
687 1 64 TYR HA 1 64 TYR HB3 2.516 . 3.307 2.972 2.474 3.032 . 0 0 "[ . 1]" 1
688 1 64 TYR HA 1 68 GLY H 2.828 . 3.828 2.664 2.294 3.173 . 0 0 "[ . 1]" 1
689 1 64 TYR HB2 1 65 ARG H 3.037 . 4.190 3.835 2.979 4.050 . 0 0 "[ . 1]" 1
690 1 65 ARG H 1 65 ARG HA 2.532 . 3.333 2.863 2.841 2.875 . 0 0 "[ . 1]" 1
691 1 65 ARG H 1 65 ARG QB 2.245 . 2.875 2.302 2.194 2.486 . 0 0 "[ . 1]" 1
692 1 65 ARG H 1 65 ARG HG2 3.177 . 4.438 3.838 3.367 4.319 . 0 0 "[ . 1]" 1
693 1 65 ARG H 1 65 ARG HG3 2.999 . 4.123 2.862 2.045 4.470 0.347 4 0 "[ . 1]" 1
694 1 65 ARG H 1 66 ASP H 2.765 . 3.721 2.480 2.412 2.567 . 0 0 "[ . 1]" 1
695 1 65 ARG HA 1 65 ARG QB 3.135 . 4.363 2.378 2.304 2.430 . 0 0 "[ . 1]" 1
696 1 65 ARG HA 1 65 ARG HD3 3.210 . 4.498 4.518 4.363 4.628 0.130 2 0 "[ . 1]" 1
697 1 65 ARG HA 1 65 ARG HG2 1.938 . 2.407 2.653 2.490 3.191 0.784 4 2 "[ - +. 1]" 1
698 1 65 ARG HA 1 65 ARG HG3 2.411 . 3.138 2.776 2.516 3.040 . 0 0 "[ . 1]" 1
699 1 65 ARG HA 1 66 ASP H 3.449 . 4.936 3.533 3.515 3.552 . 0 0 "[ . 1]" 1
700 1 65 ARG QB 1 66 ASP H 2.432 . 3.171 2.629 2.533 2.759 . 0 0 "[ . 1]" 1
701 1 65 ARG HD3 1 65 ARG HG2 2.935 . 4.012 2.826 2.472 3.013 . 0 0 "[ . 1]" 1
702 1 65 ARG HD3 1 65 ARG HG3 2.229 . 2.850 2.670 2.375 3.011 0.161 3 0 "[ . 1]" 1
703 1 66 ASP H 1 66 ASP HA 2.472 . 3.236 2.843 2.804 2.860 . 0 0 "[ . 1]" 1
704 1 66 ASP H 1 66 ASP QB 2.265 . 2.906 2.291 2.153 2.475 . 0 0 "[ . 1]" 1
705 1 66 ASP H 1 67 MET H 2.546 . 3.357 2.758 2.689 2.870 . 0 0 "[ . 1]" 1
706 1 66 ASP HA 1 66 ASP QB 2.294 . 2.952 2.411 2.320 2.506 . 0 0 "[ . 1]" 1
707 1 66 ASP QB 1 67 MET H 2.615 . 3.470 2.296 2.174 2.455 . 0 0 "[ . 1]" 1
708 1 66 ASP QB 1 67 MET QG 2.373 . 3.077 2.571 2.175 3.019 . 0 0 "[ . 1]" 1
709 1 67 MET H 1 67 MET HA 2.736 . 3.672 2.940 2.927 2.956 . 0 0 "[ . 1]" 1
710 1 67 MET H 1 67 MET HB2 2.760 . 3.712 2.508 2.438 2.657 . 0 0 "[ . 1]" 1
711 1 67 MET H 1 67 MET HB3 2.985 . 4.098 3.694 3.656 3.761 . 0 0 "[ . 1]" 1
712 1 67 MET H 1 67 MET QG 2.861 . 3.884 2.773 2.624 3.011 . 0 0 "[ . 1]" 1
713 1 67 MET H 1 68 GLY H 2.622 . 3.481 2.076 1.951 2.169 . 0 0 "[ . 1]" 1
714 1 67 MET HA 1 67 MET HB3 2.282 . 2.933 2.495 2.425 2.558 . 0 0 "[ . 1]" 1
715 1 67 MET HA 1 67 MET QG 2.238 . 2.864 2.781 2.363 2.862 . 0 0 "[ . 1]" 1
716 1 67 MET HA 1 68 GLY H 3.492 . 5.017 3.503 3.463 3.538 . 0 0 "[ . 1]" 1
717 1 67 MET HB2 1 67 MET QG 3.002 . 3.573 2.178 2.148 2.342 . 0 0 "[ . 1]" 1
718 1 67 MET HB2 1 68 GLY H 3.333 . 4.721 2.773 2.584 3.014 . 0 0 "[ . 1]" 1
719 1 67 MET HB2 1 69 TYR H 3.105 . 4.310 3.151 2.674 4.565 0.255 5 0 "[ . 1]" 1
720 1 67 MET HB3 1 67 MET QG 2.579 . 3.410 2.371 2.330 2.455 . 0 0 "[ . 1]" 1
721 1 67 MET HB3 1 69 TYR H 3.180 . 4.444 3.356 2.707 4.478 0.034 3 0 "[ . 1]" 1
722 1 68 GLY H 1 68 GLY HA2 2.112 . 2.669 2.349 2.303 2.418 . 0 0 "[ . 1]" 1
723 1 68 GLY H 1 68 GLY HA3 2.358 . 3.053 2.908 2.861 2.943 . 0 0 "[ . 1]" 1
724 1 68 GLY H 1 69 TYR H 2.903 . 3.957 2.840 2.216 4.017 0.060 5 0 "[ . 1]" 1
725 1 68 GLY HA3 1 69 TYR H 2.607 . 3.456 3.056 2.129 3.442 . 0 0 "[ . 1]" 1
726 1 69 TYR H 1 69 TYR HB3 2.775 . 3.738 3.558 2.508 3.941 0.203 5 0 "[ . 1]" 1
727 1 69 TYR HA 1 69 TYR HB2 2.568 . 3.392 2.956 2.393 3.026 . 0 0 "[ . 1]" 1
728 1 69 TYR HA 1 70 PRO HD2 2.137 . 2.708 2.761 2.650 2.825 0.117 2 0 "[ . 1]" 1
729 1 69 TYR HA 1 70 PRO HD3 2.411 . 3.138 1.723 1.585 2.109 0.099 6 0 "[ . 1]" 1
730 1 69 TYR HA 1 71 LEU HB2 3.698 . 5.408 5.271 4.749 5.415 0.007 6 0 "[ . 1]" 1
731 1 69 TYR HA 1 71 LEU MD1 3.704 . 5.419 4.376 3.587 5.105 . 0 0 "[ . 1]" 1
732 1 70 PRO HA 1 70 PRO HB2 2.350 . 3.040 2.801 2.673 2.922 . 0 0 "[ . 1]" 1
733 1 70 PRO HA 1 70 PRO HB3 2.343 . 3.029 2.271 2.253 2.315 . 0 0 "[ . 1]" 1
734 1 70 PRO HA 1 88 PHE QB 2.897 . 3.946 2.266 1.817 2.766 0.031 5 0 "[ . 1]" 1
735 1 70 PRO HA 1 89 GLN H 3.539 . 5.104 4.052 3.393 4.436 . 0 0 "[ . 1]" 1
736 1 70 PRO HA 1 89 GLN HB2 3.237 . 4.546 4.481 3.777 4.644 0.098 3 0 "[ . 1]" 1
737 1 70 PRO HB2 1 71 LEU MD1 3.539 . 5.105 4.517 4.276 4.636 . 0 0 "[ . 1]" 1
738 1 70 PRO HD2 1 70 PRO HG2 2.813 . 3.802 2.308 2.262 2.335 . 0 0 "[ . 1]" 1
739 1 70 PRO HD2 1 70 PRO HG3 2.173 . 2.763 2.974 2.892 3.001 0.238 3 0 "[ . 1]" 1
740 1 70 PRO HD3 1 70 PRO HG2 2.202 . 2.808 2.720 2.648 2.859 0.051 8 0 "[ . 1]" 1
741 1 71 LEU H 1 71 LEU HA 2.468 . 3.229 2.928 2.922 2.940 . 0 0 "[ . 1]" 1
742 1 71 LEU H 1 71 LEU HB2 2.718 . 3.641 2.768 2.715 2.828 . 0 0 "[ . 1]" 1
743 1 71 LEU H 1 71 LEU HB3 3.229 . 4.532 3.849 3.822 3.887 . 0 0 "[ . 1]" 1
744 1 71 LEU H 1 71 LEU HG 2.879 . 3.915 3.315 3.169 3.418 . 0 0 "[ . 1]" 1
745 1 71 LEU H 1 72 ALA H 3.328 . 4.713 4.221 4.157 4.267 . 0 0 "[ . 1]" 1
746 1 71 LEU HA 1 71 LEU HB2 2.643 . 3.516 3.015 3.009 3.018 . 0 0 "[ . 1]" 1
747 1 71 LEU HA 1 71 LEU HB3 2.451 . 3.202 2.494 2.464 2.511 . 0 0 "[ . 1]" 1
748 1 71 LEU HA 1 71 LEU MD2 2.200 . 2.805 2.397 2.213 2.589 . 0 0 "[ . 1]" 1
749 1 71 LEU HA 1 71 LEU HG 2.784 . 3.753 2.732 2.566 2.884 . 0 0 "[ . 1]" 1
750 1 71 LEU HA 1 72 ALA H 2.073 . 2.610 2.159 2.102 2.194 . 0 0 "[ . 1]" 1
751 1 71 LEU HA 1 87 SER HA 2.570 . 3.396 2.612 2.382 2.870 . 0 0 "[ . 1]" 1
752 1 71 LEU HA 1 88 PHE H 3.378 . 4.804 3.286 2.760 3.598 . 0 0 "[ . 1]" 1
753 1 71 LEU HB2 1 71 LEU MD1 2.194 . 2.796 2.162 2.127 2.209 . 0 0 "[ . 1]" 1
754 1 71 LEU HB2 1 71 LEU MD2 2.765 . 3.721 3.124 3.073 3.164 . 0 0 "[ . 1]" 1
755 1 71 LEU HB2 1 72 ALA H 3.225 . 4.525 4.232 4.173 4.271 . 0 0 "[ . 1]" 1
756 1 71 LEU HB3 1 71 LEU MD1 2.622 . 3.481 2.628 2.531 2.741 . 0 0 "[ . 1]" 1
757 1 71 LEU HB3 1 71 LEU MD2 2.215 . 2.828 2.196 2.159 2.246 . 0 0 "[ . 1]" 1
758 1 71 LEU HB3 1 71 LEU HG 2.426 . 3.162 2.973 2.936 3.000 . 0 0 "[ . 1]" 1
759 1 71 LEU HB3 1 72 ALA H 2.902 . 3.954 3.297 3.175 3.371 . 0 0 "[ . 1]" 1
760 1 71 LEU MD1 1 71 LEU HG 2.272 . 2.917 2.119 2.115 2.121 . 0 0 "[ . 1]" 1
761 1 71 LEU MD2 1 72 ALA H 2.858 . 3.879 3.679 3.602 3.760 . 0 0 "[ . 1]" 1
762 1 71 LEU MD2 1 87 SER HA 2.486 . 3.258 2.634 2.152 2.976 . 0 0 "[ . 1]" 1
763 1 71 LEU MD2 1 87 SER QB 2.958 . 3.564 2.604 2.322 3.039 . 0 0 "[ . 1]" 1
764 1 72 ALA H 1 72 ALA MB 3.022 . 4.164 2.707 2.659 2.753 . 0 0 "[ . 1]" 1
765 1 72 ALA H 1 86 TYR H 3.033 . 4.183 3.330 2.944 3.600 . 0 0 "[ . 1]" 1
766 1 72 ALA H 1 87 SER HA 3.098 . 4.297 3.627 3.337 4.023 . 0 0 "[ . 1]" 1
767 1 72 ALA HA 1 72 ALA MB 2.177 . 2.769 2.129 2.123 2.137 . 0 0 "[ . 1]" 1
768 1 72 ALA HA 1 73 VAL H 2.231 . 2.853 2.218 2.180 2.241 . 0 0 "[ . 1]" 1
769 1 72 ALA MB 1 73 VAL H 2.423 . 3.157 2.770 2.609 2.891 . 0 0 "[ . 1]" 1
770 1 72 ALA MB 1 73 VAL HA 3.579 . 5.180 4.294 4.231 4.356 . 0 0 "[ . 1]" 1
771 1 73 VAL H 1 73 VAL HB 2.498 . 3.278 2.501 2.462 2.523 . 0 0 "[ . 1]" 1
772 1 73 VAL H 1 73 VAL MG1 3.089 . 4.282 3.786 3.766 3.797 . 0 0 "[ . 1]" 1
773 1 73 VAL H 1 73 VAL MG2 3.468 . 4.971 2.378 2.323 2.442 . 0 0 "[ . 1]" 1
774 1 73 VAL HA 1 73 VAL HB 2.472 . 3.236 3.039 3.035 3.043 . 0 0 "[ . 1]" 1
775 1 73 VAL HA 1 73 VAL MG1 2.962 . 4.058 2.415 2.399 2.442 . 0 0 "[ . 1]" 1
776 1 73 VAL HA 1 73 VAL MG2 2.774 . 3.736 2.385 2.330 2.415 . 0 0 "[ . 1]" 1
777 1 73 VAL HA 1 74 LYS H 2.240 . 2.867 2.176 2.146 2.206 . 0 0 "[ . 1]" 1
778 1 73 VAL HA 1 85 VAL HA 2.343 . 3.029 2.202 1.928 2.735 . 0 0 "[ . 1]" 1
779 1 73 VAL HA 1 85 VAL MG1 3.487 . 5.007 2.769 2.275 3.779 . 0 0 "[ . 1]" 1
780 1 73 VAL HA 1 86 TYR H 2.870 . 3.900 3.176 3.012 3.427 . 0 0 "[ . 1]" 1
781 1 73 VAL HB 1 73 VAL MG2 2.284 . 2.936 2.130 2.128 2.135 . 0 0 "[ . 1]" 1
782 1 73 VAL HB 1 75 LEU MD1 3.464 . 4.964 4.617 4.555 4.673 . 0 0 "[ . 1]" 1
783 1 73 VAL MG1 1 85 VAL HA 3.722 . 5.454 3.410 3.116 3.738 . 0 0 "[ . 1]" 1
784 1 73 VAL MG2 1 74 LYS H 3.382 . 4.812 4.075 3.942 4.123 . 0 0 "[ . 1]" 1
785 1 74 LYS H 1 74 LYS HA 2.748 . 3.692 2.864 2.854 2.879 . 0 0 "[ . 1]" 1
786 1 74 LYS H 1 74 LYS HB2 2.950 . 4.038 2.586 2.429 2.638 . 0 0 "[ . 1]" 1
787 1 74 LYS H 1 74 LYS HB3 2.301 . 2.963 2.569 2.463 2.660 . 0 0 "[ . 1]" 1
788 1 74 LYS H 1 84 ASP QB 3.246 . 4.563 3.803 3.146 4.143 . 0 0 "[ . 1]" 1
789 1 74 LYS H 1 85 VAL HA 3.422 . 4.886 2.597 2.232 3.386 . 0 0 "[ . 1]" 1
790 1 74 LYS HA 1 74 LYS HB2 2.645 . 3.520 2.492 2.464 2.557 . 0 0 "[ . 1]" 1
791 1 74 LYS HA 1 74 LYS HB3 2.634 . 3.501 3.023 3.019 3.030 . 0 0 "[ . 1]" 1
792 1 74 LYS HA 1 74 LYS QG 2.896 . 2.909 2.458 2.381 2.818 . 0 0 "[ . 1]" 1
793 1 74 LYS HA 1 75 LEU H 2.257 . 2.894 2.118 2.090 2.176 . 0 0 "[ . 1]" 1
794 1 74 LYS HB2 1 74 LYS HD2 2.414 . 3.143 2.715 2.523 3.651 0.508 4 1 "[ +. 1]" 1
795 1 74 LYS HB3 1 74 LYS HE3 3.460 . 4.957 4.621 4.302 4.962 0.005 1 0 "[ . 1]" 1
796 1 74 LYS HB3 1 84 ASP QB 2.587 . 3.423 2.195 1.359 2.610 0.392 4 0 "[ . 1]" 1
797 1 74 LYS HD2 1 74 LYS HE2 2.311 . 2.979 3.009 2.995 3.013 0.034 4 0 "[ . 1]" 1
798 1 74 LYS HD2 1 74 LYS HE3 2.288 . 2.942 2.423 2.333 2.476 . 0 0 "[ . 1]" 1
799 1 74 LYS HD2 1 74 LYS QG 3.018 . 3.503 2.336 2.312 2.355 . 0 0 "[ . 1]" 1
800 1 74 LYS HE2 1 74 LYS QG 2.741 . 3.098 2.356 2.209 2.432 . 0 0 "[ . 1]" 1
801 1 74 LYS HE2 1 77 THR MG 2.727 . 3.656 3.234 2.801 4.242 0.586 4 1 "[ +. 1]" 1
802 1 74 LYS HE3 1 74 LYS QG 2.423 . 3.111 2.424 2.335 2.557 . 0 0 "[ . 1]" 1
803 1 74 LYS QG 1 84 ASP QB 3.169 . 4.424 3.597 2.674 4.062 . 0 0 "[ . 1]" 1
804 1 75 LEU H 1 75 LEU HA 2.696 . 3.604 2.835 2.813 2.867 . 0 0 "[ . 1]" 1
805 1 75 LEU H 1 75 LEU HB2 2.595 . 3.437 2.538 2.479 2.595 . 0 0 "[ . 1]" 1
806 1 75 LEU H 1 75 LEU HB3 2.648 . 3.524 3.556 3.544 3.572 0.048 1 0 "[ . 1]" 1
807 1 75 LEU H 1 75 LEU MD1 3.072 . 4.251 3.336 3.240 3.398 . 0 0 "[ . 1]" 1
808 1 75 LEU H 1 75 LEU MD2 2.994 . 4.114 3.312 3.145 3.469 . 0 0 "[ . 1]" 1
809 1 75 LEU H 1 76 GLY H 3.655 . 5.325 4.591 4.576 4.600 . 0 0 "[ . 1]" 1
810 1 75 LEU HA 1 75 LEU HB2 2.292 . 2.949 3.001 2.996 3.004 0.055 10 0 "[ . 1]" 1
811 1 75 LEU HA 1 75 LEU HB3 2.280 . 2.930 2.407 2.386 2.439 . 0 0 "[ . 1]" 1
812 1 75 LEU HA 1 75 LEU MD1 3.523 . 5.074 3.907 3.880 3.927 . 0 0 "[ . 1]" 1
813 1 75 LEU HA 1 75 LEU MD2 2.147 . 2.723 2.177 2.104 2.243 . 0 0 "[ . 1]" 1
814 1 75 LEU HA 1 76 GLY H 2.207 . 2.816 2.336 2.277 2.391 . 0 0 "[ . 1]" 1
815 1 75 LEU HA 1 77 THR H 2.958 . 4.052 3.035 2.941 3.139 . 0 0 "[ . 1]" 1
816 1 75 LEU HA 1 78 ILE HG13 2.794 . 3.770 2.940 2.790 3.144 . 0 0 "[ . 1]" 1
817 1 75 LEU HB2 1 76 GLY H 2.618 . 3.475 3.574 3.520 3.650 0.175 6 0 "[ . 1]" 1
818 1 75 LEU HB3 1 75 LEU MD1 2.873 . 3.905 2.534 2.488 2.580 . 0 0 "[ . 1]" 1
819 1 75 LEU HB3 1 75 LEU MD2 2.272 . 2.917 2.261 2.226 2.300 . 0 0 "[ . 1]" 1
820 1 75 LEU MD1 1 75 LEU MD2 2.848 . 3.862 2.078 2.069 2.084 . 0 0 "[ . 1]" 1
821 1 75 LEU MD2 1 76 GLY H 2.984 . 4.097 3.582 3.457 3.668 . 0 0 "[ . 1]" 1
822 1 75 LEU MD2 1 77 THR H 3.722 . 5.454 4.751 4.626 4.865 . 0 0 "[ . 1]" 1
823 1 75 LEU MD2 1 78 ILE MD 2.397 . 3.115 1.755 1.622 1.884 0.057 10 0 "[ . 1]" 1
824 1 76 GLY H 1 76 GLY HA2 2.383 . 3.093 2.360 2.343 2.372 . 0 0 "[ . 1]" 1
825 1 76 GLY H 1 76 GLY HA3 2.605 . 3.453 2.922 2.911 2.930 . 0 0 "[ . 1]" 1
826 1 76 GLY H 1 77 THR H 2.774 . 3.736 2.649 2.509 2.812 . 0 0 "[ . 1]" 1
827 1 76 GLY H 1 78 ILE H 3.007 . 4.137 3.051 2.910 3.171 . 0 0 "[ . 1]" 1
828 1 76 GLY H 1 78 ILE MD 2.886 . 3.927 2.286 2.152 2.473 . 0 0 "[ . 1]" 1
829 1 76 GLY H 1 78 ILE HG13 3.392 . 4.830 3.448 3.326 3.585 . 0 0 "[ . 1]" 1
830 1 76 GLY HA2 1 77 THR H 3.454 . 4.946 3.416 3.348 3.464 . 0 0 "[ . 1]" 1
831 1 76 GLY HA2 1 78 ILE H 3.822 . 5.648 3.753 3.644 3.874 . 0 0 "[ . 1]" 1
832 1 77 THR H 1 77 THR HA 2.518 . 3.311 2.946 2.931 2.954 . 0 0 "[ . 1]" 1
833 1 77 THR H 1 77 THR HB 3.090 . 4.283 3.735 3.691 3.787 . 0 0 "[ . 1]" 1
834 1 77 THR H 1 77 THR MG 2.625 . 3.486 2.594 2.402 2.847 . 0 0 "[ . 1]" 1
835 1 77 THR H 1 78 ILE H 2.456 . 3.210 2.261 2.159 2.462 . 0 0 "[ . 1]" 1
836 1 77 THR H 1 78 ILE HB 3.199 . 4.478 4.416 4.294 4.523 0.045 6 0 "[ . 1]" 1
837 1 77 THR H 1 78 ILE MD 2.823 . 3.819 3.642 3.616 3.663 . 0 0 "[ . 1]" 1
838 1 77 THR HA 1 77 THR HB 2.112 . 2.669 2.446 2.431 2.490 . 0 0 "[ . 1]" 1
839 1 77 THR HA 1 77 THR MG 2.586 . 3.422 2.381 2.269 2.419 . 0 0 "[ . 1]" 1
840 1 77 THR HA 1 78 ILE H 3.033 . 4.183 3.148 2.977 3.254 . 0 0 "[ . 1]" 1
841 1 77 THR HB 1 77 THR MG 2.343 . 3.029 2.134 2.125 2.138 . 0 0 "[ . 1]" 1
842 1 77 THR HB 1 84 ASP H 2.665 . 3.553 3.020 2.685 3.583 0.030 4 0 "[ . 1]" 1
843 1 77 THR MG 1 84 ASP H 3.205 . 4.489 3.600 3.427 3.919 . 0 0 "[ . 1]" 1
844 1 78 ILE H 1 78 ILE HA 2.683 . 3.583 2.847 2.814 2.872 . 0 0 "[ . 1]" 1
845 1 78 ILE H 1 78 ILE HB 2.190 . 2.790 2.435 2.365 2.513 . 0 0 "[ . 1]" 1
846 1 78 ILE H 1 78 ILE MD 2.421 . 3.154 3.006 2.898 3.075 . 0 0 "[ . 1]" 1
847 1 78 ILE H 1 78 ILE HG12 2.916 . 3.979 3.783 3.632 3.938 . 0 0 "[ . 1]" 1
848 1 78 ILE H 1 78 ILE HG13 2.559 . 3.378 2.329 2.121 2.541 . 0 0 "[ . 1]" 1
849 1 78 ILE HA 1 78 ILE HB 2.843 . 3.853 3.020 3.016 3.024 . 0 0 "[ . 1]" 1
850 1 78 ILE HA 1 78 ILE HG12 2.762 . 3.716 2.818 2.768 2.868 . 0 0 "[ . 1]" 1
851 1 78 ILE HA 1 78 ILE HG13 2.338 . 3.021 2.591 2.509 2.646 . 0 0 "[ . 1]" 1
852 1 78 ILE HA 1 78 ILE MG 2.039 . 2.558 2.434 2.406 2.472 . 0 0 "[ . 1]" 1
853 1 78 ILE HA 1 79 THR H 2.070 . 2.606 2.091 2.071 2.102 . 0 0 "[ . 1]" 1
854 1 78 ILE HA 1 79 THR MG 3.575 . 5.172 4.219 3.822 4.784 . 0 0 "[ . 1]" 1
855 1 78 ILE HA 1 83 ALA HA 2.536 . 3.340 2.923 2.496 3.338 . 0 0 "[ . 1]" 1
856 1 78 ILE HA 1 83 ALA MB 2.143 . 2.717 1.835 1.656 2.029 . 0 0 "[ . 1]" 1
857 1 78 ILE HB 1 78 ILE MD 1.905 . 2.359 2.242 2.232 2.251 . 0 0 "[ . 1]" 1
858 1 78 ILE HB 1 79 THR H 3.202 . 4.483 4.318 4.189 4.391 . 0 0 "[ . 1]" 1
859 1 78 ILE MD 1 78 ILE HG13 1.901 . 2.353 2.107 2.105 2.109 . 0 0 "[ . 1]" 1
860 1 78 ILE HG12 1 83 ALA MB 2.403 . 3.125 2.397 2.100 2.733 . 0 0 "[ . 1]" 1
861 1 78 ILE HG13 1 83 ALA MB 2.309 . 2.975 2.482 2.240 2.640 . 0 0 "[ . 1]" 1
862 1 78 ILE MG 1 79 THR H 2.504 . 3.288 2.907 2.684 3.062 . 0 0 "[ . 1]" 1
863 1 78 ILE MG 1 79 THR HA 3.435 . 4.910 3.505 3.237 3.714 . 0 0 "[ . 1]" 1
864 1 78 ILE MG 1 110 MET HA 3.356 . 4.764 3.466 2.796 4.199 . 0 0 "[ . 1]" 1
865 1 78 ILE MG 1 110 MET QG 3.277 . 4.619 2.935 2.075 3.829 . 0 0 "[ . 1]" 1
866 1 79 THR H 1 79 THR HA 2.977 . 4.085 2.936 2.917 2.947 . 0 0 "[ . 1]" 1
867 1 79 THR H 1 79 THR HB 2.905 . 3.960 3.264 2.602 3.808 . 0 0 "[ . 1]" 1
868 1 79 THR H 1 79 THR MG 3.029 . 4.175 2.888 2.382 3.124 . 0 0 "[ . 1]" 1
869 1 79 THR H 1 82 GLY H 2.956 . 4.048 3.253 2.989 3.651 . 0 0 "[ . 1]" 1
870 1 79 THR H 1 83 ALA MB 2.692 . 3.598 3.140 2.868 3.450 . 0 0 "[ . 1]" 1
871 1 79 THR HA 1 79 THR HB 2.673 . 3.566 2.624 2.484 2.803 . 0 0 "[ . 1]" 1
872 1 79 THR HA 1 79 THR MG 2.895 . 3.942 2.692 2.243 3.192 . 0 0 "[ . 1]" 1
873 1 79 THR HA 1 80 PRO HD2 2.868 . 3.897 2.871 2.399 3.099 . 0 0 "[ . 1]" 1
874 1 79 THR HA 1 80 PRO HD3 2.793 . 3.768 2.333 2.055 2.789 . 0 0 "[ . 1]" 1
875 1 79 THR HB 1 79 THR MG 2.108 . 2.664 2.120 2.104 2.129 . 0 0 "[ . 1]" 1
876 1 79 THR HB 1 80 PRO HD2 2.828 . 3.828 2.852 1.736 3.948 0.120 10 0 "[ . 1]" 1
877 1 79 THR HB 1 80 PRO HD3 3.081 . 4.268 3.688 2.826 4.308 0.040 10 0 "[ . 1]" 1
878 1 79 THR MG 1 80 PRO HD2 2.609 . 3.460 2.614 1.777 3.260 . 0 0 "[ . 1]" 1
879 1 79 THR MG 1 80 PRO HD3 3.051 . 4.215 3.511 3.097 4.008 . 0 0 "[ . 1]" 1
880 1 79 THR MG 1 82 GLY H 3.659 . 5.333 3.008 1.898 4.156 0.087 7 0 "[ . 1]" 1
881 1 80 PRO HA 1 80 PRO HB2 2.363 . 3.061 2.892 2.733 2.984 . 0 0 "[ . 1]" 1
882 1 80 PRO HA 1 80 PRO HB3 2.062 . 2.593 2.281 2.256 2.302 . 0 0 "[ . 1]" 1
883 1 80 PRO HA 1 80 PRO HG2 2.893 . 3.939 3.917 3.870 3.957 0.018 4 0 "[ . 1]" 1
884 1 80 PRO HA 1 80 PRO HG3 2.844 . 3.855 3.360 2.917 3.946 0.091 1 0 "[ . 1]" 1
885 1 80 PRO HA 1 81 ASP H 2.899 . 3.950 3.400 2.980 3.562 . 0 0 "[ . 1]" 1
886 1 80 PRO HA 1 111 LEU MD2 2.589 . 3.427 2.754 2.229 3.213 . 0 0 "[ . 1]" 1
887 1 80 PRO HB2 1 80 PRO HG2 2.365 . 3.064 2.307 2.254 2.335 . 0 0 "[ . 1]" 1
888 1 80 PRO HB2 1 81 ASP H 3.090 . 4.283 3.165 2.349 4.215 . 0 0 "[ . 1]" 1
889 1 80 PRO HB2 1 111 LEU MD2 2.652 . 3.531 3.077 2.859 3.244 . 0 0 "[ . 1]" 1
890 1 80 PRO HB3 1 80 PRO HG2 2.213 . 2.825 2.782 2.656 2.986 0.161 1 0 "[ . 1]" 1
891 1 80 PRO HB3 1 111 LEU HA 3.282 . 4.629 3.279 2.181 3.843 . 0 0 "[ . 1]" 1
892 1 80 PRO HD2 1 80 PRO HG2 2.468 . 3.229 2.299 2.240 2.324 . 0 0 "[ . 1]" 1
893 1 80 PRO HD2 1 80 PRO HG3 2.547 . 3.358 2.882 2.666 2.993 . 0 0 "[ . 1]" 1
894 1 80 PRO HD2 1 81 ASP H 2.635 . 3.503 3.085 2.788 3.542 0.039 4 0 "[ . 1]" 1
895 1 80 PRO HD3 1 80 PRO HG2 2.181 . 2.776 2.805 2.693 2.999 0.223 1 0 "[ . 1]" 1
896 1 80 PRO HD3 1 80 PRO HG3 2.472 . 3.236 2.297 2.250 2.328 . 0 0 "[ . 1]" 1
897 1 80 PRO HD3 1 81 ASP H 3.412 . 4.867 4.120 3.936 4.312 . 0 0 "[ . 1]" 1
898 1 80 PRO HD3 1 110 MET HB3 3.491 . 5.014 4.498 3.778 4.999 . 0 0 "[ . 1]" 1
899 1 80 PRO HG2 1 81 ASP H 3.272 . 4.610 3.907 2.517 4.579 . 0 0 "[ . 1]" 1
900 1 81 ASP H 1 81 ASP HA 2.412 . 3.139 2.866 2.769 2.940 . 0 0 "[ . 1]" 1
901 1 81 ASP H 1 81 ASP HB2 3.477 . 4.988 2.739 2.298 3.276 . 0 0 "[ . 1]" 1
902 1 81 ASP H 1 81 ASP HB3 2.516 . 3.307 2.730 2.377 3.600 0.293 8 0 "[ . 1]" 1
903 1 81 ASP HA 1 81 ASP HB2 2.200 . 2.805 2.546 2.400 3.024 0.219 8 0 "[ . 1]" 1
904 1 81 ASP HA 1 81 ASP HB3 2.472 . 3.236 2.927 2.492 3.031 . 0 0 "[ . 1]" 1
905 1 81 ASP HA 1 82 GLY H 2.781 . 3.748 3.550 3.523 3.569 . 0 0 "[ . 1]" 1
906 1 81 ASP HB2 1 82 GLY H 2.784 . 3.753 3.531 2.427 3.828 0.075 5 0 "[ . 1]" 1
907 1 81 ASP HB3 1 82 GLY H 3.016 . 4.153 2.596 2.343 3.593 . 0 0 "[ . 1]" 1
908 1 82 GLY H 1 82 GLY HA2 2.648 . 3.525 2.790 2.716 2.897 . 0 0 "[ . 1]" 1
909 1 82 GLY H 1 82 GLY HA3 2.905 . 3.960 2.814 2.695 2.868 . 0 0 "[ . 1]" 1
910 1 82 GLY HA2 1 83 ALA H 2.466 . 3.226 2.671 2.241 2.836 . 0 0 "[ . 1]" 1
911 1 82 GLY HA2 1 99 LEU MD1 2.603 . 3.450 2.447 2.091 3.056 . 0 0 "[ . 1]" 1
912 1 82 GLY HA3 1 83 ALA H 2.233 . 2.856 2.479 2.341 2.901 0.045 5 0 "[ . 1]" 1
913 1 82 GLY HA3 1 99 LEU MD1 3.330 . 4.716 2.744 2.293 3.072 . 0 0 "[ . 1]" 1
914 1 83 ALA H 1 83 ALA HA 2.753 . 3.700 2.921 2.901 2.940 . 0 0 "[ . 1]" 1
915 1 83 ALA H 1 83 ALA MB 2.605 . 3.453 2.582 2.273 2.703 . 0 0 "[ . 1]" 1
916 1 83 ALA H 1 99 LEU HB3 3.454 . 4.946 4.618 4.043 5.010 0.064 8 0 "[ . 1]" 1
917 1 83 ALA H 1 99 LEU MD1 3.570 . 5.163 2.106 1.878 2.597 0.099 1 0 "[ . 1]" 1
918 1 83 ALA H 1 99 LEU MD2 3.607 . 5.234 3.443 3.267 3.547 . 0 0 "[ . 1]" 1
919 1 83 ALA HA 1 83 ALA MB 2.132 . 2.700 2.125 2.119 2.130 . 0 0 "[ . 1]" 1
920 1 83 ALA HA 1 84 ASP H 2.496 . 3.275 2.447 2.362 2.644 . 0 0 "[ . 1]" 1
921 1 83 ALA MB 1 84 ASP H 2.653 . 3.533 2.240 2.035 2.349 . 0 0 "[ . 1]" 1
922 1 84 ASP H 1 84 ASP QB 2.493 . 3.270 2.331 2.259 2.440 . 0 0 "[ . 1]" 1
923 1 84 ASP HA 1 85 VAL H 2.016 . 2.524 2.185 2.166 2.233 . 0 0 "[ . 1]" 1
924 1 85 VAL H 1 85 VAL HB 2.475 . 3.241 2.732 2.572 3.586 0.345 3 0 "[ . 1]" 1
925 1 85 VAL H 1 85 VAL MG1 3.011 . 4.144 3.704 2.595 3.893 . 0 0 "[ . 1]" 1
926 1 85 VAL HA 1 85 VAL HB 2.360 . 3.056 2.971 2.493 3.035 . 0 0 "[ . 1]" 1
927 1 85 VAL HA 1 85 VAL MG1 2.834 . 3.838 2.342 2.296 2.417 . 0 0 "[ . 1]" 1
928 1 85 VAL HA 1 85 VAL MG2 2.756 . 3.705 2.547 2.414 3.199 . 0 0 "[ . 1]" 1
929 1 85 VAL HA 1 86 TYR H 2.361 . 3.058 2.236 2.174 2.285 . 0 0 "[ . 1]" 1
930 1 85 VAL HB 1 85 VAL MG1 2.343 . 3.029 2.127 2.123 2.130 . 0 0 "[ . 1]" 1
931 1 85 VAL HB 1 85 VAL MG2 2.365 . 3.064 2.126 2.116 2.130 . 0 0 "[ . 1]" 1
932 1 85 VAL HB 1 94 VAL MG2 3.084 . 4.273 2.471 2.086 3.254 . 0 0 "[ . 1]" 1
933 1 85 VAL MG2 1 86 TYR H 3.018 . 4.156 4.076 3.894 4.307 0.151 4 0 "[ . 1]" 1
934 1 86 TYR H 1 86 TYR HB2 2.938 . 4.017 2.692 2.405 2.911 . 0 0 "[ . 1]" 1
935 1 86 TYR H 1 86 TYR HB3 3.006 . 4.135 3.100 2.776 3.730 . 0 0 "[ . 1]" 1
936 1 86 TYR HA 1 86 TYR HB2 2.573 . 3.401 2.729 2.565 3.005 . 0 0 "[ . 1]" 1
937 1 86 TYR HA 1 86 TYR HB3 2.845 . 3.856 2.881 2.575 3.012 . 0 0 "[ . 1]" 1
938 1 86 TYR HA 1 87 SER H 2.466 . 3.226 2.131 2.093 2.160 . 0 0 "[ . 1]" 1
939 1 86 TYR HA 1 93 PRO HA 2.247 . 2.878 2.265 1.946 2.581 . 0 0 "[ . 1]" 1
940 1 86 TYR HA 1 94 VAL H 2.827 . 3.826 2.736 2.531 2.908 . 0 0 "[ . 1]" 1
941 1 86 TYR HA 1 94 VAL MG2 2.540 . 3.347 3.117 2.771 3.295 . 0 0 "[ . 1]" 1
942 1 86 TYR HB2 1 87 SER H 3.422 . 4.886 4.293 4.194 4.356 . 0 0 "[ . 1]" 1
943 1 86 TYR HB3 1 87 SER H 2.807 . 3.792 3.686 3.281 3.886 0.094 3 0 "[ . 1]" 1
944 1 87 SER H 1 87 SER HA 2.642 . 3.515 2.932 2.923 2.940 . 0 0 "[ . 1]" 1
945 1 87 SER H 1 87 SER QB 2.804 . 3.750 2.501 2.358 2.713 . 0 0 "[ . 1]" 1
946 1 87 SER H 1 94 VAL MG1 2.917 . 3.980 3.133 2.737 3.342 . 0 0 "[ . 1]" 1
947 1 87 SER H 1 94 VAL MG2 2.849 . 3.864 2.765 2.497 3.129 . 0 0 "[ . 1]" 1
948 1 87 SER HA 1 87 SER QB 2.465 . 3.224 2.299 2.200 2.390 . 0 0 "[ . 1]" 1
949 1 87 SER HA 1 88 PHE H 2.303 . 2.966 2.171 2.124 2.226 . 0 0 "[ . 1]" 1
950 1 87 SER HA 1 92 GLU H 3.722 . 5.453 5.110 4.860 5.318 . 0 0 "[ . 1]" 1
951 1 87 SER QB 1 88 PHE H 3.082 . 4.270 3.609 3.076 3.873 . 0 0 "[ . 1]" 1
952 1 87 SER QB 1 90 GLU H 2.707 . 3.623 2.841 2.455 3.306 . 0 0 "[ . 1]" 1
953 1 87 SER QB 1 90 GLU HB2 2.155 . 2.735 2.407 2.017 3.013 0.278 4 0 "[ . 1]" 1
954 1 87 SER QB 1 90 GLU HB3 3.608 . 5.235 3.798 2.696 4.246 . 0 0 "[ . 1]" 1
955 1 87 SER QB 1 94 VAL MG1 2.489 . 3.143 2.189 1.903 2.512 . 0 0 "[ . 1]" 1
956 1 87 SER QB 1 94 VAL MG2 2.670 . 3.282 2.056 1.812 2.424 . 0 0 "[ . 1]" 1
957 1 88 PHE H 1 88 PHE HA 2.789 . 3.762 2.889 2.857 2.932 . 0 0 "[ . 1]" 1
958 1 88 PHE H 1 88 PHE QB 2.989 . 4.105 2.360 2.258 2.534 . 0 0 "[ . 1]" 1
959 1 88 PHE H 1 88 PHE HD1 3.229 . 4.532 4.593 4.121 4.887 0.355 5 0 "[ . 1]" 1
960 1 88 PHE H 1 89 GLN H 2.729 . 3.660 2.347 2.128 2.450 . 0 0 "[ . 1]" 1
961 1 88 PHE HA 1 88 PHE QB 2.667 . 3.314 2.379 2.325 2.440 . 0 0 "[ . 1]" 1
962 1 88 PHE QB 1 88 PHE HD1 . . 3.147 2.495 2.412 2.615 . 0 0 "[ . 1]" 1
963 1 88 PHE QB 1 89 GLN H 3.127 . 4.349 2.972 2.641 3.192 . 0 0 "[ . 1]" 1
964 1 89 GLN H 1 89 GLN HA 2.589 . 3.427 2.875 2.848 2.913 . 0 0 "[ . 1]" 1
965 1 89 GLN H 1 89 GLN HB2 2.365 . 3.064 2.585 2.469 2.679 . 0 0 "[ . 1]" 1
966 1 89 GLN H 1 89 GLN HB3 2.373 . 3.077 2.528 2.441 2.625 . 0 0 "[ . 1]" 1
967 1 89 GLN H 1 89 GLN HG3 3.407 . 4.858 4.506 4.432 4.607 . 0 0 "[ . 1]" 1
968 1 89 GLN H 1 90 GLU H 2.681 . 3.579 2.440 2.267 2.612 . 0 0 "[ . 1]" 1
969 1 89 GLN HA 1 89 GLN HB2 2.414 . 3.143 2.491 2.459 2.546 . 0 0 "[ . 1]" 1
970 1 89 GLN HA 1 89 GLN HB3 2.497 . 3.276 3.024 3.017 3.030 . 0 0 "[ . 1]" 1
971 1 89 GLN HA 1 89 GLN HG3 2.338 . 3.021 2.797 2.523 3.583 0.562 4 1 "[ +. 1]" 1
972 1 89 GLN HB2 1 89 GLN HG3 2.651 . 3.529 2.588 2.263 3.013 . 0 0 "[ . 1]" 1
973 1 89 GLN HB2 1 90 GLU H 2.886 . 3.927 3.783 3.636 3.925 . 0 0 "[ . 1]" 1
974 1 89 GLN HB3 1 89 GLN HG3 2.768 . 3.726 2.810 2.463 3.012 . 0 0 "[ . 1]" 1
975 1 90 GLU H 1 90 GLU HA 2.649 . 3.526 2.891 2.839 2.919 . 0 0 "[ . 1]" 1
976 1 90 GLU H 1 90 GLU HB2 2.581 . 3.414 2.445 2.304 2.552 . 0 0 "[ . 1]" 1
977 1 90 GLU H 1 90 GLU HG3 3.026 . 4.171 3.417 2.348 4.317 0.146 4 0 "[ . 1]" 1
978 1 90 GLU HA 1 90 GLU HB2 2.290 . 2.946 2.972 2.583 3.020 0.074 6 0 "[ . 1]" 1
979 1 90 GLU HA 1 90 GLU HB3 2.442 . 3.187 2.529 2.426 3.002 . 0 0 "[ . 1]" 1
980 1 90 GLU HA 1 90 GLU HG2 2.930 . 4.003 3.011 2.577 3.673 . 0 0 "[ . 1]" 1
981 1 90 GLU HA 1 90 GLU HG3 2.839 . 3.847 3.251 2.377 3.801 . 0 0 "[ . 1]" 1
982 1 90 GLU HB2 1 90 GLU HG2 2.341 . 3.026 2.672 2.414 3.010 . 0 0 "[ . 1]" 1
983 1 90 GLU HB2 1 90 GLU HG3 2.451 . 3.202 2.506 2.371 3.009 . 0 0 "[ . 1]" 1
984 1 90 GLU HB2 1 92 GLU H 3.307 . 4.674 3.005 2.597 4.218 . 0 0 "[ . 1]" 1
985 1 90 GLU HB3 1 91 GLU H 3.070 . 4.248 3.948 3.191 4.115 . 0 0 "[ . 1]" 1
986 1 91 GLU H 1 91 GLU HA 2.248 . 2.880 2.250 2.244 2.264 . 0 0 "[ . 1]" 1
987 1 91 GLU H 1 91 GLU HB2 2.709 . 3.626 3.335 2.984 3.593 . 0 0 "[ . 1]" 1
988 1 91 GLU H 1 92 GLU H 2.740 . 3.678 2.659 2.592 2.797 . 0 0 "[ . 1]" 1
989 1 91 GLU HA 1 91 GLU HB2 2.303 . 2.966 2.836 2.574 3.014 0.048 10 0 "[ . 1]" 1
990 1 91 GLU HA 1 91 GLU HG2 2.021 . 2.532 2.656 2.321 3.064 0.532 5 1 "[ + 1]" 1
991 1 91 GLU HA 1 91 GLU HG3 2.341 . 3.026 2.767 2.295 3.049 0.023 7 0 "[ . 1]" 1
992 1 91 GLU HA 1 92 GLU H 2.499 . 3.280 2.928 2.662 3.090 . 0 0 "[ . 1]" 1
993 1 92 GLU H 1 92 GLU HA 2.890 . 3.934 2.936 2.913 2.947 . 0 0 "[ . 1]" 1
994 1 92 GLU H 1 92 GLU QB 3.225 . 4.525 2.869 2.410 3.142 . 0 0 "[ . 1]" 1
995 1 92 GLU H 1 92 GLU HG2 2.455 . 3.208 2.892 2.300 4.084 0.876 2 2 "[-+ . 1]" 1
996 1 92 GLU H 1 92 GLU HG3 3.203 . 4.486 3.329 2.917 4.302 . 0 0 "[ . 1]" 1
997 1 92 GLU HA 1 92 GLU QB 2.565 . 3.347 2.270 2.183 2.441 . 0 0 "[ . 1]" 1
998 1 92 GLU HA 1 93 PRO HD2 2.117 . 2.677 2.882 2.760 3.056 0.379 5 0 "[ . 1]" 1
999 1 92 GLU HA 1 93 PRO HD3 2.411 . 3.138 1.957 1.842 2.114 . 0 0 "[ . 1]" 1
1000 1 92 GLU QB 1 93 PRO HD2 2.493 . 3.270 2.411 2.106 2.668 . 0 0 "[ . 1]" 1
1001 1 92 GLU QB 1 93 PRO HD3 2.451 . 3.202 3.064 2.801 3.230 0.028 4 0 "[ . 1]" 1
1002 1 93 PRO HA 1 93 PRO HB2 2.560 . 3.379 2.937 2.919 2.953 . 0 0 "[ . 1]" 1
1003 1 93 PRO HA 1 93 PRO HB3 2.770 . 3.729 2.281 2.274 2.288 . 0 0 "[ . 1]" 1
1004 1 93 PRO HA 1 94 VAL H 2.129 . 2.696 2.157 2.124 2.182 . 0 0 "[ . 1]" 1
1005 1 93 PRO HA 1 94 VAL MG2 2.899 . 3.950 3.685 3.583 3.754 . 0 0 "[ . 1]" 1
1006 1 93 PRO HB2 1 94 VAL H 3.320 . 4.698 3.916 3.780 4.003 . 0 0 "[ . 1]" 1
1007 1 93 PRO HB3 1 94 VAL H 4.885 . 7.868 3.774 3.641 3.892 . 0 0 "[ . 1]" 1
1008 1 94 VAL H 1 94 VAL HA 2.636 . 3.504 2.945 2.939 2.953 . 0 0 "[ . 1]" 1
1009 1 94 VAL H 1 94 VAL MG1 2.746 . 3.689 2.934 2.856 3.037 . 0 0 "[ . 1]" 1
1010 1 94 VAL H 1 94 VAL MG2 2.183 . 2.778 2.164 2.064 2.239 . 0 0 "[ . 1]" 1
1011 1 94 VAL HA 1 94 VAL HB 2.320 . 2.993 2.482 2.458 2.509 . 0 0 "[ . 1]" 1
1012 1 94 VAL HA 1 94 VAL MG1 2.394 . 3.111 2.280 2.200 2.334 . 0 0 "[ . 1]" 1
1013 1 94 VAL HA 1 94 VAL MG2 2.964 . 4.062 3.205 3.199 3.213 . 0 0 "[ . 1]" 1
1014 1 94 VAL HA 1 95 LEU H 2.273 . 2.919 2.526 2.101 2.778 . 0 0 "[ . 1]" 1
1015 1 94 VAL HA 1 95 LEU QB 3.223 . 4.522 3.941 3.806 4.075 . 0 0 "[ . 1]" 1
1016 1 94 VAL HB 1 94 VAL MG1 2.378 . 3.085 2.124 2.117 2.130 . 0 0 "[ . 1]" 1
1017 1 94 VAL HB 1 94 VAL MG2 2.345 . 3.033 2.124 2.116 2.132 . 0 0 "[ . 1]" 1
1018 1 94 VAL HB 1 95 LEU H 2.226 . 2.845 2.078 1.682 2.815 . 0 0 "[ . 1]" 1
1019 1 94 VAL MG1 1 94 VAL MG2 1.960 . 2.440 2.056 2.015 2.087 . 0 0 "[ . 1]" 1
1020 1 94 VAL MG1 1 95 LEU H 3.324 . 4.705 3.505 3.382 3.688 . 0 0 "[ . 1]" 1
1021 1 94 VAL MG2 1 95 LEU H 3.373 . 4.795 3.158 2.798 3.755 . 0 0 "[ . 1]" 1
1022 1 95 LEU H 1 95 LEU HA 2.655 . 3.536 2.921 2.882 2.940 . 0 0 "[ . 1]" 1
1023 1 95 LEU H 1 95 LEU QB 2.334 . 3.015 2.441 2.153 2.686 . 0 0 "[ . 1]" 1
1024 1 95 LEU H 1 95 LEU HG 3.280 . 4.625 4.451 4.274 4.627 0.002 9 0 "[ . 1]" 1
1025 1 95 LEU H 1 96 ASP H 3.427 . 4.895 4.343 4.144 4.580 . 0 0 "[ . 1]" 1
1026 1 95 LEU HA 1 95 LEU QB 2.544 . 3.353 2.405 2.318 2.533 . 0 0 "[ . 1]" 1
1027 1 95 LEU HA 1 95 LEU MD1 2.772 . 3.732 2.374 1.761 3.788 0.056 4 0 "[ . 1]" 1
1028 1 95 LEU HA 1 95 LEU MD2 3.313 . 4.685 3.316 2.317 3.915 . 0 0 "[ . 1]" 1
1029 1 95 LEU HA 1 95 LEU HG 2.619 . 3.477 3.110 2.463 3.586 0.109 9 0 "[ . 1]" 1
1030 1 95 LEU HA 1 96 ASP H 2.193 . 2.794 2.214 2.139 2.419 . 0 0 "[ . 1]" 1
1031 1 95 LEU QB 1 95 LEU MD2 2.345 . 3.033 2.154 2.085 2.320 . 0 0 "[ . 1]" 1
1032 1 95 LEU QB 1 96 ASP H 3.338 . 4.731 3.465 2.349 3.834 . 0 0 "[ . 1]" 1
1033 1 95 LEU MD1 1 95 LEU HG 2.348 . 3.037 2.124 2.111 2.130 . 0 0 "[ . 1]" 1
1034 1 95 LEU MD1 1 96 ASP H 2.900 . 3.951 2.646 1.749 4.583 0.632 4 2 "[ +. - 1]" 1
1035 1 95 LEU MD1 1 96 ASP QB 3.450 . 4.937 4.264 3.685 5.924 0.987 4 2 "[ +. - 1]" 1
1036 1 95 LEU MD2 1 95 LEU HG 2.142 . 2.715 2.124 2.120 2.128 . 0 0 "[ . 1]" 1
1037 1 95 LEU HG 1 96 ASP H 2.756 . 3.706 3.361 2.736 3.933 0.227 1 0 "[ . 1]" 1
1038 1 96 ASP H 1 96 ASP HA 2.368 . 3.069 2.927 2.896 2.949 . 0 0 "[ . 1]" 1
1039 1 96 ASP H 1 96 ASP QB 2.669 . 3.559 2.424 2.284 2.732 . 0 0 "[ . 1]" 1
1040 1 96 ASP H 1 99 LEU MD2 3.222 . 4.519 3.002 2.377 3.521 . 0 0 "[ . 1]" 1
1041 1 96 ASP HA 1 96 ASP QB 2.662 . 3.176 2.354 2.318 2.437 . 0 0 "[ . 1]" 1
1042 1 96 ASP HA 1 97 PRO HD2 2.303 . 2.966 2.518 2.363 2.628 . 0 0 "[ . 1]" 1
1043 1 96 ASP HA 1 97 PRO HD3 2.202 . 2.808 1.883 1.750 2.025 . 0 0 "[ . 1]" 1
1044 1 96 ASP HA 1 98 HIS H 3.355 . 4.762 3.461 3.323 3.550 . 0 0 "[ . 1]" 1
1045 1 96 ASP QB 1 99 LEU H 3.130 . 4.354 3.530 3.160 3.887 . 0 0 "[ . 1]" 1
1046 1 96 ASP QB 1 99 LEU MD2 2.408 . 3.133 1.797 1.641 1.957 0.050 5 0 "[ . 1]" 1
1047 1 97 PRO HA 1 97 PRO HB2 2.303 . 2.966 2.954 2.937 2.978 0.012 5 0 "[ . 1]" 1
1048 1 97 PRO HA 1 97 PRO HB3 2.033 . 2.550 2.282 2.270 2.297 . 0 0 "[ . 1]" 1
1049 1 97 PRO HA 1 97 PRO HG2 3.086 . 4.277 3.977 3.917 4.000 . 0 0 "[ . 1]" 1
1050 1 97 PRO HA 1 98 HIS H 2.764 . 3.719 3.377 3.275 3.453 . 0 0 "[ . 1]" 1
1051 1 97 PRO HA 1 99 LEU H 3.853 . 5.709 3.987 3.831 4.548 . 0 0 "[ . 1]" 1
1052 1 97 PRO HB2 1 97 PRO HD2 2.641 . 3.513 2.896 2.851 2.947 . 0 0 "[ . 1]" 1
1053 1 97 PRO HB2 1 97 PRO HG2 2.375 . 3.080 2.332 2.326 2.342 . 0 0 "[ . 1]" 1
1054 1 97 PRO HB2 1 97 PRO HG3 2.613 . 3.466 2.996 2.991 3.003 . 0 0 "[ . 1]" 1
1055 1 97 PRO HB2 1 98 HIS H 2.973 . 4.078 3.439 3.064 3.671 . 0 0 "[ . 1]" 1
1056 1 97 PRO HD2 1 97 PRO HG2 2.286 . 2.939 2.335 2.308 2.349 . 0 0 "[ . 1]" 1
1057 1 97 PRO HD2 1 97 PRO HG3 2.358 . 3.053 3.000 2.983 3.007 . 0 0 "[ . 1]" 1
1058 1 97 PRO HD2 1 98 HIS H 2.873 . 3.905 2.859 2.664 3.044 . 0 0 "[ . 1]" 1
1059 1 97 PRO HD3 1 97 PRO HG2 2.307 . 2.972 2.662 2.648 2.692 . 0 0 "[ . 1]" 1
1060 1 97 PRO HD3 1 97 PRO HG3 2.465 . 3.224 2.329 2.308 2.340 . 0 0 "[ . 1]" 1
1061 1 97 PRO HG2 1 98 HIS H 3.346 . 4.745 4.569 4.373 4.771 0.026 1 0 "[ . 1]" 1
1062 1 98 HIS H 1 98 HIS HA 2.708 . 3.625 2.951 2.934 2.958 . 0 0 "[ . 1]" 1
1063 1 98 HIS H 1 98 HIS HB2 2.939 . 4.019 2.723 2.538 3.051 . 0 0 "[ . 1]" 1
1064 1 98 HIS H 1 98 HIS HB3 2.663 . 3.549 3.790 3.710 3.881 0.332 1 0 "[ . 1]" 1
1065 1 98 HIS H 1 99 LEU H 2.407 . 3.131 2.589 2.319 3.157 0.026 5 0 "[ . 1]" 1
1066 1 98 HIS H 1 99 LEU HA 3.596 . 5.213 4.336 4.137 4.431 . 0 0 "[ . 1]" 1
1067 1 98 HIS H 1 99 LEU HG 3.167 . 4.421 3.787 3.510 4.367 . 0 0 "[ . 1]" 1
1068 1 98 HIS HA 1 98 HIS HB2 2.429 . 3.167 3.016 2.984 3.035 . 0 0 "[ . 1]" 1
1069 1 98 HIS HA 1 98 HIS HB3 2.536 . 3.340 2.451 2.312 2.569 . 0 0 "[ . 1]" 1
1070 1 98 HIS HA 1 99 LEU H 2.989 . 4.105 2.880 2.478 3.037 . 0 0 "[ . 1]" 1
1071 1 98 HIS HA 1 100 ALA H 2.649 . 3.526 3.591 3.378 3.692 0.166 1 0 "[ . 1]" 1
1072 1 98 HIS HA 1 101 LYS H 3.311 . 4.682 3.281 2.944 3.731 . 0 0 "[ . 1]" 1
1073 1 98 HIS HB3 1 99 LEU H 3.299 . 4.660 4.464 4.291 4.597 . 0 0 "[ . 1]" 1
1074 1 99 LEU H 1 99 LEU HA 2.493 . 3.270 2.769 2.743 2.782 . 0 0 "[ . 1]" 1
1075 1 99 LEU H 1 99 LEU HB2 2.411 . 3.138 2.481 2.412 2.544 . 0 0 "[ . 1]" 1
1076 1 99 LEU H 1 99 LEU HB3 2.692 . 3.598 3.593 3.583 3.598 0.000 8 0 "[ . 1]" 1
1077 1 99 LEU H 1 99 LEU MD1 2.837 . 3.843 3.544 3.502 3.575 . 0 0 "[ . 1]" 1
1078 1 99 LEU H 1 99 LEU MD2 3.402 . 4.849 3.421 3.233 3.570 . 0 0 "[ . 1]" 1
1079 1 99 LEU H 1 100 ALA H 2.767 . 3.724 2.805 2.747 2.872 . 0 0 "[ . 1]" 1
1080 1 99 LEU H 1 100 ALA MB 3.531 . 5.089 4.463 4.341 4.514 . 0 0 "[ . 1]" 1
1081 1 99 LEU HA 1 99 LEU HB2 2.807 . 3.792 3.017 3.011 3.026 . 0 0 "[ . 1]" 1
1082 1 99 LEU HA 1 99 LEU HB3 2.307 . 2.972 2.523 2.481 2.566 . 0 0 "[ . 1]" 1
1083 1 99 LEU HA 1 99 LEU MD1 3.450 . 4.937 3.868 3.857 3.887 . 0 0 "[ . 1]" 1
1084 1 99 LEU HA 1 99 LEU MD2 1.843 . 2.267 2.162 2.075 2.204 . 0 0 "[ . 1]" 1
1085 1 99 LEU HA 1 99 LEU HG 2.540 . 3.347 3.001 2.903 3.090 . 0 0 "[ . 1]" 1
1086 1 99 LEU HA 1 100 ALA H 2.881 . 3.919 3.534 3.516 3.549 . 0 0 "[ . 1]" 1
1087 1 99 LEU HA 1 102 HIS H 2.576 . 3.405 3.496 3.429 3.548 0.143 9 0 "[ . 1]" 1
1088 1 99 LEU HA 1 102 HIS HB2 3.280 . 4.625 3.332 2.760 3.857 . 0 0 "[ . 1]" 1
1089 1 99 LEU HA 1 102 HIS HB3 2.733 . 3.667 3.611 2.697 4.635 0.968 3 4 "[- + . ** 1]" 1
1090 1 99 LEU HA 1 103 LEU MD2 3.710 . 5.431 4.344 3.991 4.675 . 0 0 "[ . 1]" 1
1091 1 99 LEU HB2 1 99 LEU MD1 1.914 . 2.372 2.204 2.165 2.236 . 0 0 "[ . 1]" 1
1092 1 99 LEU HB2 1 100 ALA H 2.524 . 3.320 2.466 2.409 2.503 . 0 0 "[ . 1]" 1
1093 1 99 LEU HB3 1 99 LEU MD1 2.282 . 2.933 2.429 2.390 2.462 . 0 0 "[ . 1]" 1
1094 1 99 LEU HB3 1 99 LEU MD2 2.554 . 3.369 2.278 2.241 2.320 . 0 0 "[ . 1]" 1
1095 1 99 LEU HB3 1 100 ALA H 2.867 . 3.895 3.429 3.296 3.515 . 0 0 "[ . 1]" 1
1096 1 99 LEU MD1 1 99 LEU HG 2.064 . 2.596 2.120 2.118 2.124 . 0 0 "[ . 1]" 1
1097 1 99 LEU MD1 1 100 ALA H 3.272 . 4.610 4.300 4.270 4.328 . 0 0 "[ . 1]" 1
1098 1 99 LEU MD2 1 99 LEU HG 1.953 . 2.430 2.122 2.116 2.130 . 0 0 "[ . 1]" 1
1099 1 99 LEU MD2 1 102 HIS H 4.021 . 6.042 5.075 4.932 5.169 . 0 0 "[ . 1]" 1
1100 1 100 ALA H 1 100 ALA HA 2.697 . 3.606 2.812 2.759 2.847 . 0 0 "[ . 1]" 1
1101 1 100 ALA H 1 100 ALA MB 2.112 . 2.669 2.237 2.215 2.252 . 0 0 "[ . 1]" 1
1102 1 100 ALA H 1 101 LYS H 2.574 . 3.402 2.653 2.491 2.797 . 0 0 "[ . 1]" 1
1103 1 100 ALA HA 1 100 ALA MB 2.296 . 2.955 2.127 2.124 2.130 . 0 0 "[ . 1]" 1
1104 1 100 ALA HA 1 101 LYS H 2.835 . 3.840 3.509 3.460 3.526 . 0 0 "[ . 1]" 1
1105 1 100 ALA HA 1 103 LEU H 2.973 . 4.078 3.557 3.388 3.718 . 0 0 "[ . 1]" 1
1106 1 100 ALA HA 1 103 LEU HB2 2.215 . 2.828 2.890 2.847 2.946 0.118 1 0 "[ . 1]" 1
1107 1 100 ALA MB 1 101 LYS H 2.321 . 2.994 2.653 2.485 2.726 . 0 0 "[ . 1]" 1
1108 1 101 LYS H 1 101 LYS HA 2.448 . 3.197 2.837 2.817 2.862 . 0 0 "[ . 1]" 1
1109 1 101 LYS H 1 101 LYS HB2 2.250 . 2.883 2.583 2.496 2.898 0.015 5 0 "[ . 1]" 1
1110 1 101 LYS H 1 101 LYS HB3 2.130 . 2.697 2.454 2.110 2.587 . 0 0 "[ . 1]" 1
1111 1 101 LYS H 1 102 HIS H 2.265 . 2.906 2.592 2.506 2.691 . 0 0 "[ . 1]" 1
1112 1 101 LYS HA 1 101 LYS HB2 2.023 . 2.534 2.442 2.284 2.502 . 0 0 "[ . 1]" 1
1113 1 101 LYS HA 1 101 LYS HB3 2.294 . 2.952 3.011 2.969 3.018 0.066 9 0 "[ . 1]" 1
1114 1 101 LYS HA 1 101 LYS QG 3.059 . 4.229 2.708 2.407 3.051 . 0 0 "[ . 1]" 1
1115 1 101 LYS HA 1 102 HIS H 3.280 . 4.624 3.538 3.518 3.547 . 0 0 "[ . 1]" 1
1116 1 101 LYS HA 1 104 ALA H 2.840 . 3.848 3.456 3.238 3.750 . 0 0 "[ . 1]" 1
1117 1 101 LYS HA 1 104 ALA MB 2.081 . 2.622 2.504 2.343 2.664 0.042 1 0 "[ . 1]" 1
1118 1 101 LYS HB2 1 102 HIS H 2.743 . 3.683 3.821 3.752 3.927 0.244 5 0 "[ . 1]" 1
1119 1 101 LYS HB3 1 102 HIS H 2.383 . 3.093 2.517 2.476 2.645 . 0 0 "[ . 1]" 1
1120 1 101 LYS HD2 1 101 LYS HE2 2.077 . 2.616 2.690 2.452 3.015 0.399 3 0 "[ . 1]" 1
1121 1 101 LYS QG 1 102 HIS H 2.826 . 3.824 3.493 2.725 3.703 . 0 0 "[ . 1]" 1
1122 1 102 HIS H 1 102 HIS HA 2.211 . 2.822 2.828 2.799 2.851 0.029 3 0 "[ . 1]" 1
1123 1 102 HIS H 1 102 HIS HB2 2.810 . 3.797 2.483 2.351 2.602 . 0 0 "[ . 1]" 1
1124 1 102 HIS H 1 102 HIS HB3 2.934 . 4.010 2.992 2.516 3.621 . 0 0 "[ . 1]" 1
1125 1 102 HIS H 1 103 LEU H 2.719 . 3.643 2.635 2.527 2.737 . 0 0 "[ . 1]" 1
1126 1 102 HIS H 1 103 LEU MD2 3.609 . 5.237 4.822 4.721 4.865 . 0 0 "[ . 1]" 1
1127 1 102 HIS HA 1 102 HIS HB2 2.732 . 3.665 2.692 2.441 3.024 . 0 0 "[ . 1]" 1
1128 1 102 HIS HA 1 102 HIS HB3 2.392 . 3.107 2.838 2.524 3.032 . 0 0 "[ . 1]" 1
1129 1 102 HIS HA 1 105 HIS H 3.580 . 5.182 3.672 3.310 3.902 . 0 0 "[ . 1]" 1
1130 1 102 HIS HA 1 105 HIS HB2 3.399 . 4.843 3.750 3.233 4.099 . 0 0 "[ . 1]" 1
1131 1 102 HIS HA 1 105 HIS HB3 2.807 . 3.792 3.334 2.827 3.819 0.027 5 0 "[ . 1]" 1
1132 1 102 HIS HB2 1 103 LEU H 2.852 . 3.869 3.442 2.683 3.939 0.070 2 0 "[ . 1]" 1
1133 1 102 HIS HB3 1 103 LEU H 3.028 . 4.174 3.034 2.583 3.767 . 0 0 "[ . 1]" 1
1134 1 102 HIS HB3 1 103 LEU MD2 2.797 . 3.775 3.377 3.080 3.776 0.001 8 0 "[ . 1]" 1
1135 1 103 LEU H 1 103 LEU HA 2.528 . 3.327 2.852 2.820 2.871 . 0 0 "[ . 1]" 1
1136 1 103 LEU H 1 103 LEU HB2 2.493 . 3.270 2.564 2.520 2.612 . 0 0 "[ . 1]" 1
1137 1 103 LEU H 1 103 LEU HB3 2.635 . 3.503 3.588 3.577 3.597 0.094 3 0 "[ . 1]" 1
1138 1 103 LEU H 1 103 LEU MD1 3.001 . 4.127 3.674 3.606 3.715 . 0 0 "[ . 1]" 1
1139 1 103 LEU H 1 103 LEU MD2 3.268 . 4.603 2.985 2.889 3.095 . 0 0 "[ . 1]" 1
1140 1 103 LEU H 1 103 LEU HG 2.214 . 2.827 2.160 2.079 2.224 . 0 0 "[ . 1]" 1
1141 1 103 LEU H 1 104 ALA H 2.602 . 3.448 2.494 2.393 2.625 . 0 0 "[ . 1]" 1
1142 1 103 LEU HA 1 103 LEU HB2 2.645 . 3.519 3.013 3.008 3.021 . 0 0 "[ . 1]" 1
1143 1 103 LEU HA 1 103 LEU HB3 2.355 . 3.048 2.410 2.386 2.433 . 0 0 "[ . 1]" 1
1144 1 103 LEU HA 1 103 LEU MD2 1.916 . 2.375 2.047 1.968 2.140 . 0 0 "[ . 1]" 1
1145 1 103 LEU HA 1 103 LEU HG 2.479 . 3.247 3.264 3.227 3.275 0.028 6 0 "[ . 1]" 1
1146 1 103 LEU HA 1 108 ILE HB 2.577 . 3.407 2.716 2.455 2.952 . 0 0 "[ . 1]" 1
1147 1 103 LEU HA 1 108 ILE MD 3.389 . 4.825 2.971 2.368 3.272 . 0 0 "[ . 1]" 1
1148 1 103 LEU HB2 1 103 LEU MD1 2.072 . 2.609 2.375 2.347 2.398 . 0 0 "[ . 1]" 1
1149 1 103 LEU HB2 1 104 ALA H 2.777 . 3.741 2.675 2.511 2.816 . 0 0 "[ . 1]" 1
1150 1 103 LEU HB2 1 106 PHE HB2 3.598 . 5.216 4.969 4.678 5.112 . 0 0 "[ . 1]" 1
1151 1 103 LEU HB2 1 108 ILE HB 2.532 . 3.333 3.398 3.363 3.429 0.096 2 0 "[ . 1]" 1
1152 1 103 LEU HB3 1 103 LEU MD1 2.566 . 3.389 2.334 2.304 2.348 . 0 0 "[ . 1]" 1
1153 1 103 LEU HB3 1 103 LEU MD2 2.528 . 3.327 2.428 2.391 2.462 . 0 0 "[ . 1]" 1
1154 1 103 LEU HB3 1 108 ILE HB 2.512 . 3.301 1.764 1.691 1.840 0.032 8 0 "[ . 1]" 1
1155 1 103 LEU MD1 1 108 ILE HB 3.285 . 4.634 3.401 3.176 3.555 . 0 0 "[ . 1]" 1
1156 1 103 LEU MD1 1 110 MET QG 3.327 . 4.711 2.243 1.861 2.648 0.082 10 0 "[ . 1]" 1
1157 1 103 LEU MD2 1 103 LEU HG 1.964 . 2.446 2.125 2.122 2.128 . 0 0 "[ . 1]" 1
1158 1 103 LEU MD2 1 104 ALA H 3.501 . 5.033 4.497 4.451 4.540 . 0 0 "[ . 1]" 1
1159 1 103 LEU MD2 1 108 ILE HB 2.813 . 3.802 2.832 2.695 2.975 . 0 0 "[ . 1]" 1
1160 1 103 LEU HG 1 104 ALA H 2.922 . 3.989 4.117 4.090 4.170 0.181 3 0 "[ . 1]" 1
1161 1 104 ALA H 1 104 ALA HA 2.384 . 3.094 2.806 2.795 2.821 . 0 0 "[ . 1]" 1
1162 1 104 ALA H 1 104 ALA MB 2.115 . 2.674 2.249 2.243 2.258 . 0 0 "[ . 1]" 1
1163 1 104 ALA H 1 105 HIS H 2.652 . 3.531 2.713 2.638 2.766 . 0 0 "[ . 1]" 1
1164 1 104 ALA HA 1 104 ALA MB 2.414 . 3.143 2.127 2.125 2.130 . 0 0 "[ . 1]" 1
1165 1 104 ALA HA 1 105 HIS H 3.311 . 4.682 3.527 3.497 3.547 . 0 0 "[ . 1]" 1
1166 1 104 ALA HA 1 106 PHE H 2.616 . 3.472 3.536 3.483 3.604 0.132 1 0 "[ . 1]" 1
1167 1 104 ALA HA 1 107 GLY H 2.792 . 3.766 3.088 2.976 3.203 . 0 0 "[ . 1]" 1
1168 1 104 ALA HA 1 108 ILE H 2.892 . 3.937 3.596 3.419 3.768 . 0 0 "[ . 1]" 1
1169 1 104 ALA MB 1 105 HIS H 2.532 . 3.333 2.566 2.460 2.680 . 0 0 "[ . 1]" 1
1170 1 104 ALA MB 1 106 PHE H 3.466 . 4.967 4.086 4.041 4.126 . 0 0 "[ . 1]" 1
1171 1 104 ALA MB 1 107 GLY H 3.545 . 5.116 4.232 4.169 4.278 . 0 0 "[ . 1]" 1
1172 1 105 HIS H 1 105 HIS HA 2.532 . 3.333 2.834 2.807 2.862 . 0 0 "[ . 1]" 1
1173 1 105 HIS H 1 105 HIS HB2 2.357 . 3.052 2.463 2.295 2.588 . 0 0 "[ . 1]" 1
1174 1 105 HIS H 1 105 HIS HB3 2.435 . 3.176 2.596 2.474 2.857 . 0 0 "[ . 1]" 1
1175 1 105 HIS H 1 106 PHE H 2.690 . 3.595 2.563 2.442 2.662 . 0 0 "[ . 1]" 1
1176 1 105 HIS HA 1 105 HIS HB2 2.146 . 2.721 2.510 2.454 2.648 . 0 0 "[ . 1]" 1
1177 1 105 HIS HA 1 105 HIS HB3 2.301 . 2.963 3.019 2.988 3.026 0.063 9 0 "[ . 1]" 1
1178 1 105 HIS HA 1 106 PHE H 3.065 . 4.240 3.350 3.320 3.391 . 0 0 "[ . 1]" 1
1179 1 105 HIS HB2 1 106 PHE H 3.674 . 5.361 4.139 3.938 4.268 . 0 0 "[ . 1]" 1
1180 1 106 PHE H 1 106 PHE HA 2.854 . 3.872 2.940 2.933 2.948 . 0 0 "[ . 1]" 1
1181 1 106 PHE H 1 106 PHE HB2 3.007 . 4.137 2.368 2.260 2.463 . 0 0 "[ . 1]" 1
1182 1 106 PHE H 1 106 PHE HB3 2.744 . 3.685 3.600 3.515 3.672 . 0 0 "[ . 1]" 1
1183 1 106 PHE H 1 107 GLY H 2.550 . 3.363 2.097 2.017 2.179 . 0 0 "[ . 1]" 1
1184 1 106 PHE HA 1 106 PHE HB2 2.486 . 3.258 3.003 2.970 3.023 . 0 0 "[ . 1]" 1
1185 1 106 PHE HA 1 106 PHE HB3 2.649 . 3.526 2.598 2.517 2.682 . 0 0 "[ . 1]" 1
1186 1 106 PHE HA 1 107 GLY H 3.205 . 4.489 3.319 3.253 3.366 . 0 0 "[ . 1]" 1
1187 1 106 PHE HB2 1 108 ILE HB 2.646 . 3.521 3.126 2.887 3.530 0.009 4 0 "[ . 1]" 1
1188 1 106 PHE HB2 1 108 ILE MD 3.040 . 4.195 2.734 2.606 3.044 . 0 0 "[ . 1]" 1
1189 1 106 PHE HB3 1 107 GLY H 3.562 . 5.148 4.085 3.930 4.206 . 0 0 "[ . 1]" 1
1190 1 106 PHE HB3 1 108 ILE HB 2.783 . 3.751 3.922 3.895 3.957 0.206 2 0 "[ . 1]" 1
1191 1 106 PHE HB3 1 108 ILE MD 3.859 . 5.720 2.600 2.388 2.906 . 0 0 "[ . 1]" 1
1192 1 106 PHE HB3 1 108 ILE HG13 2.188 . 2.787 2.257 2.012 2.585 . 0 0 "[ . 1]" 1
1193 1 107 GLY H 1 107 GLY HA2 2.197 . 2.801 2.324 2.301 2.358 . 0 0 "[ . 1]" 1
1194 1 107 GLY H 1 107 GLY HA3 2.452 . 3.203 2.888 2.854 2.927 . 0 0 "[ . 1]" 1
1195 1 107 GLY H 1 108 ILE H 2.623 . 3.483 2.448 2.361 2.553 . 0 0 "[ . 1]" 1
1196 1 107 GLY HA2 1 108 ILE H 2.728 . 3.658 3.162 3.082 3.259 . 0 0 "[ . 1]" 1
1197 1 108 ILE H 1 108 ILE HA 2.332 . 3.011 2.890 2.863 2.913 . 0 0 "[ . 1]" 1
1198 1 108 ILE H 1 108 ILE HB 2.378 . 3.085 2.444 2.422 2.473 . 0 0 "[ . 1]" 1
1199 1 108 ILE H 1 108 ILE MD 2.926 . 3.996 3.675 3.655 3.703 . 0 0 "[ . 1]" 1
1200 1 108 ILE H 1 108 ILE HG12 2.666 . 3.555 3.596 3.565 3.633 0.078 6 0 "[ . 1]" 1
1201 1 108 ILE H 1 108 ILE MG 3.138 . 4.369 3.746 3.733 3.761 . 0 0 "[ . 1]" 1
1202 1 108 ILE HA 1 108 ILE HB 2.752 . 3.698 3.020 3.012 3.024 . 0 0 "[ . 1]" 1
1203 1 108 ILE HA 1 108 ILE MD 3.267 . 4.601 3.804 3.789 3.817 . 0 0 "[ . 1]" 1
1204 1 108 ILE HA 1 108 ILE HG12 2.348 . 3.037 2.494 2.459 2.523 . 0 0 "[ . 1]" 1
1205 1 108 ILE HA 1 108 ILE HG13 2.528 . 3.327 2.986 2.946 3.011 . 0 0 "[ . 1]" 1
1206 1 108 ILE HA 1 108 ILE MG 2.272 . 2.917 2.436 2.407 2.465 . 0 0 "[ . 1]" 1
1207 1 108 ILE HA 1 109 ASP H 2.184 . 2.780 2.153 2.126 2.225 . 0 0 "[ . 1]" 1
1208 1 108 ILE HB 1 108 ILE MD 2.156 . 2.737 2.402 2.376 2.421 . 0 0 "[ . 1]" 1
1209 1 108 ILE HB 1 108 ILE HG12 2.389 . 3.102 3.025 3.015 3.029 . 0 0 "[ . 1]" 1
1210 1 108 ILE HB 1 108 ILE HG13 2.573 . 3.401 2.468 2.463 2.476 . 0 0 "[ . 1]" 1
1211 1 108 ILE HB 1 108 ILE MG 1.942 . 2.414 2.128 2.125 2.132 . 0 0 "[ . 1]" 1
1212 1 108 ILE MD 1 108 ILE HG12 2.468 . 3.229 2.118 2.116 2.122 . 0 0 "[ . 1]" 1
1213 1 108 ILE MD 1 108 ILE HG13 1.964 . 2.446 2.115 2.111 2.117 . 0 0 "[ . 1]" 1
1214 1 108 ILE HG12 1 108 ILE MG 2.922 . 3.989 2.351 2.339 2.359 . 0 0 "[ . 1]" 1
1215 1 108 ILE MG 1 109 ASP H 2.706 . 3.621 2.742 2.341 3.052 . 0 0 "[ . 1]" 1
1216 1 108 ILE MG 1 109 ASP QB 3.735 . 5.478 4.279 4.060 4.464 . 0 0 "[ . 1]" 1
1217 1 108 ILE MG 1 110 MET H 3.061 . 4.232 3.899 3.504 4.122 . 0 0 "[ . 1]" 1
1218 1 108 ILE MG 1 110 MET HA 3.038 . 4.192 3.920 3.824 3.989 . 0 0 "[ . 1]" 1
1219 1 109 ASP H 1 109 ASP QB 2.493 . 3.270 2.480 2.291 2.929 . 0 0 "[ . 1]" 1
1220 1 109 ASP HA 1 109 ASP QB 2.465 . 3.224 2.370 2.161 2.461 . 0 0 "[ . 1]" 1
1221 1 109 ASP HA 1 110 MET H 2.520 . 3.314 2.158 2.104 2.218 . 0 0 "[ . 1]" 1
1222 1 109 ASP HA 1 111 LEU H 3.412 . 4.867 3.767 3.352 4.172 . 0 0 "[ . 1]" 1
1223 1 109 ASP QB 1 110 MET HA 3.514 . 5.058 4.796 4.353 4.921 . 0 0 "[ . 1]" 1
1224 1 110 MET H 1 110 MET HA 2.497 . 3.276 2.822 2.786 2.860 . 0 0 "[ . 1]" 1
1225 1 110 MET H 1 110 MET HB2 2.788 . 3.759 2.540 2.364 2.650 . 0 0 "[ . 1]" 1
1226 1 110 MET H 1 110 MET HB3 2.660 . 3.545 3.588 3.570 3.611 0.066 4 0 "[ . 1]" 1
1227 1 110 MET H 1 110 MET QG 2.504 . 3.288 2.387 2.035 2.913 . 0 0 "[ . 1]" 1
1228 1 110 MET H 1 111 LEU H 2.701 . 3.613 2.552 2.423 2.669 . 0 0 "[ . 1]" 1
1229 1 110 MET H 1 111 LEU HG 3.246 . 4.563 3.942 3.679 4.210 . 0 0 "[ . 1]" 1
1230 1 110 MET HA 1 110 MET HB2 2.392 . 3.107 3.022 3.017 3.030 . 0 0 "[ . 1]" 1
1231 1 110 MET HA 1 110 MET HB3 2.301 . 2.963 2.454 2.405 2.557 . 0 0 "[ . 1]" 1
1232 1 110 MET HA 1 110 MET QG 2.143 . 2.717 2.506 2.388 2.804 0.087 9 0 "[ . 1]" 1
1233 1 110 MET HA 1 111 LEU H 2.864 . 3.889 3.488 3.436 3.529 . 0 0 "[ . 1]" 1
1234 1 110 MET HA 1 112 HIS H 3.594 . 5.209 3.912 3.539 4.486 . 0 0 "[ . 1]" 1
1235 1 110 MET HB2 1 110 MET QG 3.179 . 4.442 2.336 2.158 2.409 . 0 0 "[ . 1]" 1
1236 1 110 MET HB2 1 111 LEU H 2.716 . 3.638 2.682 2.517 2.895 . 0 0 "[ . 1]" 1
1237 1 110 MET HB2 1 111 LEU MD2 2.223 . 2.841 2.770 2.677 2.853 0.012 6 0 "[ . 1]" 1
1238 1 110 MET HB3 1 110 MET QG 2.540 . 3.347 2.291 2.153 2.408 . 0 0 "[ . 1]" 1
1239 1 110 MET HB3 1 111 LEU HA 3.383 . 4.814 4.324 3.994 4.597 . 0 0 "[ . 1]" 1
1240 1 110 MET HB3 1 111 LEU MD2 2.560 . 3.379 3.182 2.521 3.339 . 0 0 "[ . 1]" 1
1241 1 110 MET QG 1 111 LEU H 3.364 . 4.778 4.099 3.800 4.463 . 0 0 "[ . 1]" 1
1242 1 111 LEU H 1 111 LEU HA 2.744 . 3.685 2.884 2.834 2.908 . 0 0 "[ . 1]" 1
1243 1 111 LEU H 1 111 LEU HB2 2.492 . 3.269 2.556 2.449 2.654 . 0 0 "[ . 1]" 1
1244 1 111 LEU H 1 111 LEU HB3 2.686 . 3.588 3.604 3.510 3.631 0.043 9 0 "[ . 1]" 1
1245 1 111 LEU H 1 111 LEU MD1 3.205 . 4.489 3.737 3.575 3.847 . 0 0 "[ . 1]" 1
1246 1 111 LEU H 1 111 LEU HG 2.458 . 3.213 2.271 2.068 2.446 . 0 0 "[ . 1]" 1
1247 1 111 LEU H 1 112 HIS H 2.224 . 2.842 2.578 2.281 2.941 0.099 4 0 "[ . 1]" 1
1248 1 111 LEU HA 1 111 LEU HB2 2.528 . 3.327 3.005 2.998 3.009 . 0 0 "[ . 1]" 1
1249 1 111 LEU HA 1 111 LEU HB3 2.309 . 2.975 2.396 2.360 2.465 . 0 0 "[ . 1]" 1
1250 1 111 LEU HA 1 111 LEU MD1 3.237 . 4.546 3.807 3.753 3.884 . 0 0 "[ . 1]" 1
1251 1 111 LEU HA 1 111 LEU MD2 2.196 . 2.799 2.117 1.885 2.302 . 0 0 "[ . 1]" 1
1252 1 111 LEU HA 1 111 LEU HG 2.789 . 3.761 3.312 3.156 3.398 . 0 0 "[ . 1]" 1
1253 1 111 LEU HA 1 112 HIS H 3.063 . 4.236 3.227 2.750 3.504 . 0 0 "[ . 1]" 1
1254 1 111 LEU HB2 1 111 LEU MD1 2.009 . 2.513 2.362 2.339 2.415 . 0 0 "[ . 1]" 1
1255 1 111 LEU HB2 1 112 HIS H 2.943 . 4.026 3.535 3.135 4.089 0.063 4 0 "[ . 1]" 1
1256 1 111 LEU HB3 1 111 LEU MD1 2.197 . 2.801 2.315 2.245 2.351 . 0 0 "[ . 1]" 1
1257 1 111 LEU HB3 1 111 LEU HG 2.331 . 3.010 3.012 3.005 3.017 0.007 10 0 "[ . 1]" 1
1258 1 111 LEU HB3 1 112 HIS H 3.575 . 5.173 4.293 4.001 4.512 . 0 0 "[ . 1]" 1
1259 1 111 LEU MD2 1 111 LEU HG 1.908 . 2.363 2.123 2.119 2.126 . 0 0 "[ . 1]" 1
1260 1 111 LEU MD2 1 115 GLY H 3.081 . 4.268 3.476 3.151 3.775 . 0 0 "[ . 1]" 1
1261 1 112 HIS H 1 112 HIS HB2 2.763 . 3.717 2.527 2.212 3.626 . 0 0 "[ . 1]" 1
1262 1 112 HIS H 1 112 HIS HB3 2.609 . 3.460 2.670 2.440 2.919 . 0 0 "[ . 1]" 1
1263 1 112 HIS H 1 113 MET H 2.775 . 3.738 2.734 2.457 3.268 . 0 0 "[ . 1]" 1
1264 1 112 HIS H 1 113 MET HG2 3.876 . 5.754 4.996 3.794 6.694 0.940 6 1 "[ .+ 1]" 1
1265 1 112 HIS HA 1 112 HIS HB2 2.301 . 2.963 2.522 2.370 2.598 . 0 0 "[ . 1]" 1
1266 1 112 HIS HA 1 112 HIS HB3 2.472 . 3.236 2.969 2.531 3.026 . 0 0 "[ . 1]" 1
1267 1 113 MET H 1 113 MET HA 2.811 . 3.799 2.910 2.844 2.946 . 0 0 "[ . 1]" 1
1268 1 113 MET H 1 113 MET QB 2.217 . 2.831 2.574 2.360 2.803 . 0 0 "[ . 1]" 1
1269 1 113 MET H 1 113 MET HG2 3.316 . 4.690 2.861 1.967 4.239 . 0 0 "[ . 1]" 1
1270 1 113 MET H 1 113 MET HG3 3.355 . 4.762 3.130 2.230 3.807 . 0 0 "[ . 1]" 1
1271 1 113 MET HA 1 113 MET QB 2.617 . 3.473 2.300 2.171 2.411 . 0 0 "[ . 1]" 1
1272 1 113 MET HA 1 113 MET HG2 2.880 . 3.917 3.137 2.487 3.777 . 0 0 "[ . 1]" 1
1273 1 113 MET HA 1 114 HIS H 2.894 . 3.941 3.324 2.966 3.572 . 0 0 "[ . 1]" 1
1274 1 114 HIS HA 1 114 HIS HB2 2.552 . 3.366 2.647 2.460 3.021 . 0 0 "[ . 1]" 1
1275 1 114 HIS HA 1 114 HIS HB3 2.540 . 3.347 2.867 2.410 3.035 . 0 0 "[ . 1]" 1
1276 1 114 HIS HA 1 116 THR H 2.947 . 4.032 3.843 3.349 4.185 0.153 7 0 "[ . 1]" 1
1277 1 115 GLY HA3 1 116 THR H 2.722 . 3.648 3.023 2.403 3.535 . 0 0 "[ . 1]" 1
1278 1 116 THR H 1 116 THR MG 2.126 . 2.691 2.585 2.408 2.670 . 0 0 "[ . 1]" 1
1279 1 116 THR HB 1 116 THR MG 2.365 . 3.064 2.135 2.133 2.138 . 0 0 "[ . 1]" 1
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