NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
604192 |
2n8z   |
25871 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2n8z
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 2675
_Distance_constraint_stats_list.Viol_count 5441
_Distance_constraint_stats_list.Viol_total 5240.017
_Distance_constraint_stats_list.Viol_max 0.654
_Distance_constraint_stats_list.Viol_rms 0.0251
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0049
_Distance_constraint_stats_list.Viol_average_violations_only 0.0482
_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 4 ILE 14.795 0.350 7 0 "[ . 1 . 2]"
1 5 SER 3.623 0.173 11 0 "[ . 1 . 2]"
1 6 GLN 0.572 0.310 20 0 "[ . 1 . 2]"
1 7 GLU 2.151 0.144 13 0 "[ . 1 . 2]"
1 8 GLN 9.860 0.214 17 0 "[ . 1 . 2]"
1 9 MET 10.994 0.350 7 0 "[ . 1 . 2]"
1 10 ASN 6.235 0.244 13 0 "[ . 1 . 2]"
1 11 GLU 2.329 0.074 11 0 "[ . 1 . 2]"
1 12 PHE 3.204 0.118 7 0 "[ . 1 . 2]"
1 13 ARG 0.690 0.102 13 0 "[ . 1 . 2]"
1 14 ALA 1.473 0.061 13 0 "[ . 1 . 2]"
1 15 SER 0.003 0.003 4 0 "[ . 1 . 2]"
1 16 PHE 1.345 0.080 17 0 "[ . 1 . 2]"
1 17 ASN 3.306 0.208 20 0 "[ . 1 . 2]"
1 18 HIS 0.526 0.077 11 0 "[ . 1 . 2]"
1 19 PHE 0.425 0.045 13 0 "[ . 1 . 2]"
1 20 ASP 2.098 0.085 17 0 "[ . 1 . 2]"
1 21 ARG 1.347 0.076 1 0 "[ . 1 . 2]"
1 22 ASP 2.192 0.190 1 0 "[ . 1 . 2]"
1 23 HIS 1.099 0.083 17 0 "[ . 1 . 2]"
1 24 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 GLY 0.130 0.036 13 0 "[ . 1 . 2]"
1 26 THR 4.471 0.203 13 0 "[ . 1 . 2]"
1 27 LEU 10.047 0.208 20 0 "[ . 1 . 2]"
1 28 GLY 1.900 0.086 13 0 "[ . 1 . 2]"
1 29 PRO 0.943 0.060 13 0 "[ . 1 . 2]"
1 30 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 GLU 1.095 0.100 20 0 "[ . 1 . 2]"
1 32 PHE 9.995 0.203 13 0 "[ . 1 . 2]"
1 33 LYS 4.041 0.654 11 2 "[ . 1+ . -]"
1 34 ALA 5.663 0.193 1 0 "[ . 1 . 2]"
1 35 CYS 1.004 0.052 13 0 "[ . 1 . 2]"
1 36 LEU 16.591 0.364 11 0 "[ . 1 . 2]"
1 37 ILE 10.528 0.230 13 0 "[ . 1 . 2]"
1 38 SER 3.190 0.131 1 0 "[ . 1 . 2]"
1 39 LEU 3.086 0.094 13 0 "[ . 1 . 2]"
1 40 GLY 4.959 0.325 6 0 "[ . 1 . 2]"
1 41 TYR 9.743 0.364 11 0 "[ . 1 . 2]"
1 42 ASP 1.073 0.092 11 0 "[ . 1 . 2]"
1 43 ILE 6.083 0.252 8 0 "[ . 1 . 2]"
1 44 GLY 2.221 0.247 13 0 "[ . 1 . 2]"
1 45 ASN 2.352 0.654 11 2 "[ . 1+ . -]"
1 46 ASP 1.283 0.171 10 0 "[ . 1 . 2]"
1 47 PRO 1.729 0.100 1 0 "[ . 1 . 2]"
1 48 GLN 1.855 0.171 10 0 "[ . 1 . 2]"
1 49 GLY 3.811 0.212 11 0 "[ . 1 . 2]"
1 50 GLU 2.082 0.144 11 0 "[ . 1 . 2]"
1 51 ALA 2.237 0.089 5 0 "[ . 1 . 2]"
1 52 GLU 2.780 0.100 10 0 "[ . 1 . 2]"
1 53 PHE 5.060 0.152 17 0 "[ . 1 . 2]"
1 54 ALA 1.684 0.234 17 0 "[ . 1 . 2]"
1 55 ARG 4.762 0.234 17 0 "[ . 1 . 2]"
1 56 ILE 6.786 0.215 14 0 "[ . 1 . 2]"
1 57 MET 2.960 0.122 1 0 "[ . 1 . 2]"
1 58 SER 0.601 0.088 17 0 "[ . 1 . 2]"
1 59 ILE 5.422 0.215 14 0 "[ . 1 . 2]"
1 60 VAL 3.043 0.117 13 0 "[ . 1 . 2]"
1 61 ASP 6.022 0.149 13 0 "[ . 1 . 2]"
1 62 PRO 0.021 0.011 3 0 "[ . 1 . 2]"
1 63 ASN 3.154 0.114 13 0 "[ . 1 . 2]"
1 64 ARG 1.671 0.170 1 0 "[ . 1 . 2]"
1 65 LEU 5.097 0.651 16 1 "[ . 1 .+ 2]"
1 66 GLY 0.259 0.047 16 0 "[ . 1 . 2]"
1 67 VAL 2.755 0.558 16 1 "[ . 1 .+ 2]"
1 68 VAL 1.240 0.044 11 0 "[ . 1 . 2]"
1 69 THR 6.811 0.269 17 0 "[ . 1 . 2]"
1 70 PHE 4.851 0.269 17 0 "[ . 1 . 2]"
1 71 GLN 6.181 0.222 1 0 "[ . 1 . 2]"
1 72 ALA 5.060 0.176 13 0 "[ . 1 . 2]"
1 73 PHE 5.677 0.158 13 0 "[ . 1 . 2]"
1 74 ILE 3.196 0.108 3 0 "[ . 1 . 2]"
1 75 ASP 2.543 0.089 17 0 "[ . 1 . 2]"
1 76 PHE 5.196 0.117 13 0 "[ . 1 . 2]"
1 77 MET 4.420 0.158 13 0 "[ . 1 . 2]"
1 78 SER 0.353 0.035 13 0 "[ . 1 . 2]"
1 79 ARG 0.524 0.270 10 0 "[ . 1 . 2]"
1 80 GLU 3.028 0.465 8 0 "[ . 1 . 2]"
1 81 THR 1.336 0.258 9 0 "[ . 1 . 2]"
1 82 ALA 3.439 0.465 8 0 "[ . 1 . 2]"
1 83 ASP 0.214 0.060 4 0 "[ . 1 . 2]"
1 84 THR 0.333 0.060 4 0 "[ . 1 . 2]"
1 85 ASP 0.480 0.138 1 0 "[ . 1 . 2]"
1 86 THR 0.259 0.140 15 0 "[ . 1 . 2]"
1 87 ALA 1.822 0.420 20 0 "[ . 1 . 2]"
1 88 ASP 0.433 0.121 12 0 "[ . 1 . 2]"
1 89 GLN 5.991 0.470 10 0 "[ . 1 . 2]"
1 90 VAL 15.369 0.470 10 0 "[ . 1 . 2]"
1 91 MET 3.315 0.212 17 0 "[ . 1 . 2]"
1 92 ALA 2.790 0.200 5 0 "[ . 1 . 2]"
1 93 SER 1.301 0.193 17 0 "[ . 1 . 2]"
1 94 PHE 2.254 0.092 13 0 "[ . 1 . 2]"
1 95 LYS 0.736 0.153 17 0 "[ . 1 . 2]"
1 96 ILE 2.871 0.193 17 0 "[ . 1 . 2]"
1 97 LEU 7.918 0.214 7 0 "[ . 1 . 2]"
1 98 ALA 3.357 0.155 3 0 "[ . 1 . 2]"
1 99 GLY 2.540 0.362 17 0 "[ . 1 . 2]"
1 100 ASP 0.565 0.362 17 0 "[ . 1 . 2]"
1 101 LYS 7.188 0.492 11 0 "[ . 1 . 2]"
1 102 ASN 0.138 0.105 3 0 "[ . 1 . 2]"
1 103 TYR 2.714 0.112 17 0 "[ . 1 . 2]"
1 104 ILE 18.208 0.492 11 0 "[ . 1 . 2]"
1 105 THR 5.661 0.278 17 0 "[ . 1 . 2]"
1 106 MET 9.055 0.364 20 0 "[ . 1 . 2]"
1 107 ASP 0.588 0.113 18 0 "[ . 1 . 2]"
1 108 GLU 0.329 0.092 1 0 "[ . 1 . 2]"
1 109 LEU 1.877 0.201 1 0 "[ . 1 . 2]"
1 110 ARG 7.899 0.496 17 0 "[ . 1 . 2]"
1 111 ARG 9.383 0.482 1 0 "[ . 1 . 2]"
1 112 GLU 8.803 0.482 1 0 "[ . 1 . 2]"
1 113 LEU 3.250 0.143 1 0 "[ . 1 . 2]"
1 115 PRO 0.141 0.070 9 0 "[ . 1 . 2]"
1 116 ASP 0.224 0.055 5 0 "[ . 1 . 2]"
1 117 GLN 5.234 0.319 10 0 "[ . 1 . 2]"
1 118 ALA 0.772 0.079 1 0 "[ . 1 . 2]"
1 119 GLU 1.705 0.110 17 0 "[ . 1 . 2]"
1 120 TYR 1.109 0.067 17 0 "[ . 1 . 2]"
1 121 CYS 3.185 0.147 17 0 "[ . 1 . 2]"
1 122 ILE 3.576 0.147 17 0 "[ . 1 . 2]"
1 123 ALA 0.981 0.133 10 0 "[ . 1 . 2]"
1 124 ARG 1.050 0.071 13 0 "[ . 1 . 2]"
1 125 MET 0.671 0.060 13 0 "[ . 1 . 2]"
1 126 ALA 7.863 0.338 17 0 "[ . 1 . 2]"
1 127 PRO 3.033 0.134 13 0 "[ . 1 . 2]"
1 128 TYR 2.467 0.095 11 0 "[ . 1 . 2]"
1 130 GLY 0.733 0.137 13 0 "[ . 1 . 2]"
1 131 PRO 0.056 0.028 14 0 "[ . 1 . 2]"
1 132 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 133 SER 1.070 0.070 18 0 "[ . 1 . 2]"
1 134 VAL 1.483 0.137 13 0 "[ . 1 . 2]"
1 135 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 136 GLY 0.965 0.071 17 0 "[ . 1 . 2]"
1 137 ALA 1.406 0.071 17 0 "[ . 1 . 2]"
1 138 LEU 5.715 0.364 20 0 "[ . 1 . 2]"
1 139 ASP 0.673 0.058 1 0 "[ . 1 . 2]"
1 140 TYR 5.432 0.212 17 0 "[ . 1 . 2]"
1 141 MET 6.348 0.366 13 0 "[ . 1 . 2]"
1 142 SER 2.592 0.126 13 0 "[ . 1 . 2]"
1 143 PHE 5.550 0.351 9 0 "[ . 1 . 2]"
1 144 SER 1.023 0.116 13 0 "[ . 1 . 2]"
1 145 THR 0.377 0.099 13 0 "[ . 1 . 2]"
1 146 ALA 0.209 0.178 17 0 "[ . 1 . 2]"
1 147 LEU 7.159 0.423 16 0 "[ . 1 . 2]"
1 148 TYR 0.404 0.153 13 0 "[ . 1 . 2]"
1 149 GLY 0.050 0.033 15 0 "[ . 1 . 2]"
1 150 GLU 0.213 0.153 13 0 "[ . 1 . 2]"
1 151 SER 0.370 0.137 1 0 "[ . 1 . 2]"
1 152 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 153 LEU 0.406 0.137 1 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 4 ILE H 1 4 ILE HB 3.170 . 3.170 2.218 1.983 2.481 . 0 0 "[ . 1 . 2]" 1
2 1 4 ILE H 1 4 ILE MD 4.130 . 4.130 4.001 3.838 4.081 . 0 0 "[ . 1 . 2]" 1
3 1 4 ILE H 1 4 ILE HG12 4.000 . 4.000 3.742 3.250 4.062 0.062 15 0 "[ . 1 . 2]" 1
4 1 4 ILE H 1 4 ILE HG13 3.240 . 3.240 2.821 2.431 3.174 . 0 0 "[ . 1 . 2]" 1
5 1 4 ILE H 1 4 ILE MG 3.720 . 3.720 3.605 3.373 3.774 0.054 10 0 "[ . 1 . 2]" 1
6 1 4 ILE H 1 5 SER H 4.660 . 4.660 4.509 4.310 4.640 . 0 0 "[ . 1 . 2]" 1
7 1 4 ILE HA 1 4 ILE HG13 4.070 . 4.070 2.804 2.538 3.140 . 0 0 "[ . 1 . 2]" 1
8 1 4 ILE HA 1 4 ILE MG 3.580 . 3.580 2.727 2.462 2.925 . 0 0 "[ . 1 . 2]" 1
9 1 4 ILE HA 1 5 SER H 2.650 . 2.650 2.062 1.863 2.236 . 0 0 "[ . 1 . 2]" 1
10 1 4 ILE HA 1 8 GLN HB2 5.060 . 5.060 2.974 2.342 3.542 . 0 0 "[ . 1 . 2]" 1
11 1 4 ILE HA 1 8 GLN HB3 4.820 . 4.820 3.191 2.549 3.743 . 0 0 "[ . 1 . 2]" 1
12 1 4 ILE HA 1 8 GLN HG3 5.020 . 5.020 2.827 2.370 3.357 . 0 0 "[ . 1 . 2]" 1
13 1 4 ILE HA 1 9 MET H 5.490 . 5.490 4.663 4.103 5.094 . 0 0 "[ . 1 . 2]" 1
14 1 4 ILE HB 1 4 ILE MD 3.260 . 3.260 2.564 2.457 2.718 . 0 0 "[ . 1 . 2]" 1
15 1 4 ILE HB 1 5 SER H 4.380 . 4.380 4.374 4.318 4.431 0.051 13 0 "[ . 1 . 2]" 1
16 1 4 ILE HB 1 8 GLN HB3 4.730 . 4.730 4.690 4.518 4.767 0.037 7 0 "[ . 1 . 2]" 1
17 1 4 ILE HB 1 9 MET H 4.960 . 4.960 5.002 4.930 5.076 0.116 7 0 "[ . 1 . 2]" 1
18 1 4 ILE HB 1 9 MET ME 4.270 . 4.270 3.962 3.772 4.370 0.100 13 0 "[ . 1 . 2]" 1
19 1 4 ILE MD 1 5 SER H 4.590 . 4.590 4.656 4.537 4.748 0.158 11 0 "[ . 1 . 2]" 1
20 1 4 ILE MD 1 8 GLN HA 4.940 . 4.940 4.993 4.936 5.076 0.136 1 0 "[ . 1 . 2]" 1
21 1 4 ILE MD 1 8 GLN HE21 5.180 . 5.180 5.001 4.906 5.118 . 0 0 "[ . 1 . 2]" 1
22 1 4 ILE MD 1 8 GLN HE22 5.250 . 5.250 4.914 4.759 5.137 . 0 0 "[ . 1 . 2]" 1
23 1 4 ILE MD 1 9 MET H 4.000 . 4.000 3.516 3.371 3.643 . 0 0 "[ . 1 . 2]" 1
24 1 4 ILE MD 1 9 MET HA 3.610 . 3.610 2.741 2.553 2.829 . 0 0 "[ . 1 . 2]" 1
25 1 4 ILE MD 1 9 MET ME 3.830 . 3.830 3.792 3.618 3.972 0.142 13 0 "[ . 1 . 2]" 1
26 1 4 ILE MD 1 9 MET HG2 5.230 . 5.230 4.931 4.773 5.369 0.139 13 0 "[ . 1 . 2]" 1
27 1 4 ILE MD 1 9 MET HG3 5.360 . 5.360 5.351 5.083 5.490 0.130 17 0 "[ . 1 . 2]" 1
28 1 4 ILE MD 1 10 ASN H 5.190 . 5.190 5.324 5.237 5.434 0.244 13 0 "[ . 1 . 2]" 1
29 1 4 ILE MD 1 12 PHE H 5.130 . 5.130 5.007 4.939 5.099 . 0 0 "[ . 1 . 2]" 1
30 1 4 ILE MD 1 12 PHE HD2 3.410 . 3.410 2.162 2.075 2.202 . 0 0 "[ . 1 . 2]" 1
31 1 4 ILE MD 1 12 PHE HE2 3.530 . 3.530 2.431 2.319 2.533 . 0 0 "[ . 1 . 2]" 1
32 1 4 ILE MD 1 12 PHE HZ 4.960 . 4.960 3.879 3.783 4.001 . 0 0 "[ . 1 . 2]" 1
33 1 4 ILE MD 1 74 ILE HA 4.780 . 4.780 4.430 4.237 4.662 . 0 0 "[ . 1 . 2]" 1
34 1 4 ILE HG12 1 5 SER H 4.890 . 4.890 3.580 3.278 3.894 . 0 0 "[ . 1 . 2]" 1
35 1 4 ILE HG13 1 5 SER H 4.810 . 4.810 4.684 4.386 4.983 0.173 11 0 "[ . 1 . 2]" 1
36 1 4 ILE HG13 1 9 MET H 5.500 . 5.500 5.597 5.531 5.850 0.350 7 0 "[ . 1 . 2]" 1
37 1 4 ILE HG13 1 12 PHE HE2 3.600 . 3.600 3.511 3.370 3.718 0.118 7 0 "[ . 1 . 2]" 1
38 1 4 ILE MG 1 5 SER H 3.300 . 3.300 2.839 2.740 2.910 . 0 0 "[ . 1 . 2]" 1
39 1 4 ILE MG 1 7 GLU H 5.420 . 5.420 5.078 4.938 5.162 . 0 0 "[ . 1 . 2]" 1
40 1 4 ILE MG 1 8 GLN H 3.950 . 3.950 3.589 3.490 3.908 . 0 0 "[ . 1 . 2]" 1
41 1 4 ILE MG 1 8 GLN HE21 4.970 . 4.970 5.016 4.966 5.061 0.091 6 0 "[ . 1 . 2]" 1
42 1 4 ILE MG 1 8 GLN HE22 5.500 . 5.500 5.585 5.513 5.714 0.214 17 0 "[ . 1 . 2]" 1
43 1 4 ILE MG 1 8 GLN HG3 3.780 . 3.780 3.823 3.786 3.867 0.087 13 0 "[ . 1 . 2]" 1
44 1 4 ILE MG 1 9 MET H 3.380 . 3.380 2.012 1.954 2.066 . 0 0 "[ . 1 . 2]" 1
45 1 4 ILE MG 1 9 MET HB3 4.220 . 4.220 1.962 1.908 2.062 . 0 0 "[ . 1 . 2]" 1
46 1 4 ILE MG 1 9 MET HG2 4.450 . 4.450 3.328 3.111 4.052 . 0 0 "[ . 1 . 2]" 1
47 1 4 ILE MG 1 9 MET HG3 4.400 . 4.400 4.261 4.188 4.386 . 0 0 "[ . 1 . 2]" 1
48 1 4 ILE MG 1 10 ASN H 4.360 . 4.360 4.317 4.268 4.338 . 0 0 "[ . 1 . 2]" 1
49 1 4 ILE MG 1 12 PHE H 5.500 . 5.500 5.506 5.414 5.570 0.070 9 0 "[ . 1 . 2]" 1
50 1 4 ILE MG 1 12 PHE HE2 3.790 . 3.790 3.683 3.537 3.797 0.007 12 0 "[ . 1 . 2]" 1
51 1 5 SER H 1 5 SER QB 3.170 . 3.170 2.483 2.256 2.922 . 0 0 "[ . 1 . 2]" 1
52 1 5 SER H 1 8 GLN H 4.150 . 4.150 3.327 3.122 3.567 . 0 0 "[ . 1 . 2]" 1
53 1 5 SER H 1 8 GLN HA 4.790 . 4.790 4.626 4.505 4.760 . 0 0 "[ . 1 . 2]" 1
54 1 5 SER H 1 8 GLN HB2 3.630 . 3.630 1.890 1.726 2.027 . 0 0 "[ . 1 . 2]" 1
55 1 5 SER H 1 8 GLN HE21 5.150 . 5.150 5.204 5.163 5.299 0.149 13 0 "[ . 1 . 2]" 1
56 1 5 SER H 1 8 GLN HG3 3.200 . 3.200 2.104 2.005 2.363 . 0 0 "[ . 1 . 2]" 1
57 1 5 SER H 1 9 MET H 4.620 . 4.620 3.991 3.805 4.121 . 0 0 "[ . 1 . 2]" 1
58 1 5 SER HA 1 8 GLN HG3 5.200 . 5.200 4.870 4.624 5.191 . 0 0 "[ . 1 . 2]" 1
59 1 5 SER HA 1 9 MET H 5.500 . 5.500 5.223 5.035 5.364 . 0 0 "[ . 1 . 2]" 1
60 1 5 SER QB 1 7 GLU H 3.690 . 3.690 2.673 2.001 2.913 . 0 0 "[ . 1 . 2]" 1
61 1 5 SER QB 1 8 GLN HB2 5.290 . 5.290 2.914 2.539 3.695 . 0 0 "[ . 1 . 2]" 1
62 1 5 SER QB 1 9 MET H 5.340 . 5.340 4.482 4.212 5.096 . 0 0 "[ . 1 . 2]" 1
63 1 5 SER HB2 1 8 GLN H 3.850 . 3.850 2.616 2.169 3.918 0.068 9 0 "[ . 1 . 2]" 1
64 1 5 SER HB3 1 8 GLN H 3.850 . 3.850 3.635 2.234 3.941 0.091 6 0 "[ . 1 . 2]" 1
65 1 6 GLN H 1 7 GLU H 4.980 . 4.980 2.639 2.516 2.775 . 0 0 "[ . 1 . 2]" 1
66 1 6 GLN HA 1 6 GLN QE 4.990 . 4.990 4.230 2.975 5.066 0.076 4 0 "[ . 1 . 2]" 1
67 1 6 GLN HA 1 6 GLN QG 3.670 . 3.670 2.509 2.168 3.533 . 0 0 "[ . 1 . 2]" 1
68 1 6 GLN HA 1 9 MET H 4.210 . 4.210 3.767 3.655 3.905 . 0 0 "[ . 1 . 2]" 1
69 1 6 GLN HA 1 9 MET HB3 4.510 . 4.510 4.239 3.422 4.524 0.014 1 0 "[ . 1 . 2]" 1
70 1 6 GLN HA 1 9 MET HG2 4.310 . 4.310 2.546 2.289 3.298 . 0 0 "[ . 1 . 2]" 1
71 1 6 GLN HA 1 9 MET HG3 5.400 . 5.400 4.019 3.663 4.790 . 0 0 "[ . 1 . 2]" 1
72 1 6 GLN HB2 1 6 GLN QE 4.230 . 4.230 3.644 2.990 4.113 . 0 0 "[ . 1 . 2]" 1
73 1 6 GLN HB2 1 6 GLN HE22 4.920 . 4.920 4.485 3.916 5.230 0.310 20 0 "[ . 1 . 2]" 1
74 1 6 GLN HB2 1 6 GLN QG 2.620 . 2.620 2.335 2.149 2.411 . 0 0 "[ . 1 . 2]" 1
75 1 6 GLN HB3 1 7 GLU H 4.040 . 4.040 3.273 2.650 3.982 . 0 0 "[ . 1 . 2]" 1
76 1 7 GLU H 1 7 GLU HG2 3.760 . 3.760 2.283 1.950 3.500 . 0 0 "[ . 1 . 2]" 1
77 1 7 GLU H 1 7 GLU QG 3.290 . 3.290 2.122 1.877 2.625 . 0 0 "[ . 1 . 2]" 1
78 1 7 GLU H 1 7 GLU HG3 3.760 . 3.760 3.344 1.911 3.761 0.001 15 0 "[ . 1 . 2]" 1
79 1 7 GLU H 1 8 GLN H 3.410 . 3.410 2.520 2.428 2.568 . 0 0 "[ . 1 . 2]" 1
80 1 7 GLU H 1 8 GLN HA 5.080 . 5.080 5.116 5.088 5.155 0.075 13 0 "[ . 1 . 2]" 1
81 1 7 GLU H 1 8 GLN HB2 4.850 . 4.850 4.407 4.273 4.478 . 0 0 "[ . 1 . 2]" 1
82 1 7 GLU H 1 10 ASN H 4.990 . 4.990 4.719 4.551 4.823 . 0 0 "[ . 1 . 2]" 1
83 1 7 GLU H 1 10 ASN HB2 5.500 . 5.500 5.543 5.509 5.583 0.083 17 0 "[ . 1 . 2]" 1
84 1 7 GLU H 1 10 ASN HB3 5.290 . 5.290 4.590 4.528 4.682 . 0 0 "[ . 1 . 2]" 1
85 1 7 GLU HA 1 7 GLU HG2 3.910 . 3.910 3.614 2.497 3.885 . 0 0 "[ . 1 . 2]" 1
86 1 7 GLU HA 1 7 GLU HG3 3.910 . 3.910 3.759 2.734 4.001 0.091 19 0 "[ . 1 . 2]" 1
87 1 7 GLU HA 1 10 ASN H 3.760 . 3.760 3.427 3.303 3.582 . 0 0 "[ . 1 . 2]" 1
88 1 7 GLU HA 1 10 ASN HB2 4.070 . 4.070 3.200 3.103 3.470 . 0 0 "[ . 1 . 2]" 1
89 1 7 GLU HA 1 10 ASN HB3 4.200 . 4.200 2.146 2.007 2.306 . 0 0 "[ . 1 . 2]" 1
90 1 7 GLU HA 1 10 ASN HD21 3.920 . 3.920 2.897 2.782 3.035 . 0 0 "[ . 1 . 2]" 1
91 1 7 GLU HA 1 10 ASN HD22 4.700 . 4.700 4.308 4.170 4.490 . 0 0 "[ . 1 . 2]" 1
92 1 7 GLU HA 1 11 GLU H 4.490 . 4.490 4.258 4.143 4.370 . 0 0 "[ . 1 . 2]" 1
93 1 7 GLU QB 1 8 GLN H 3.980 . 3.980 3.468 2.309 3.738 . 0 0 "[ . 1 . 2]" 1
94 1 7 GLU QB 1 10 ASN HD21 4.870 . 4.870 3.277 3.073 3.573 . 0 0 "[ . 1 . 2]" 1
95 1 7 GLU QB 1 10 ASN HD22 5.340 . 5.340 4.392 4.157 4.795 . 0 0 "[ . 1 . 2]" 1
96 1 7 GLU QG 1 8 GLN H 3.910 . 3.910 2.749 2.298 3.960 0.050 12 0 "[ . 1 . 2]" 1
97 1 7 GLU HG2 1 8 GLN H 4.520 . 4.520 2.952 2.324 4.601 0.081 5 0 "[ . 1 . 2]" 1
98 1 7 GLU HG3 1 8 GLN H 4.520 . 4.520 3.520 2.968 4.664 0.144 13 0 "[ . 1 . 2]" 1
99 1 8 GLN H 1 8 GLN HB2 3.190 . 3.190 2.130 2.096 2.215 . 0 0 "[ . 1 . 2]" 1
100 1 8 GLN H 1 8 GLN HE21 4.560 . 4.560 4.511 4.354 4.592 0.032 6 0 "[ . 1 . 2]" 1
101 1 8 GLN H 1 8 GLN HG2 3.090 . 3.090 3.124 3.051 3.157 0.067 1 0 "[ . 1 . 2]" 1
102 1 8 GLN H 1 8 GLN HG3 4.310 . 4.310 3.655 3.602 3.733 . 0 0 "[ . 1 . 2]" 1
103 1 8 GLN H 1 9 MET H 3.060 . 3.060 2.731 2.639 3.045 . 0 0 "[ . 1 . 2]" 1
104 1 8 GLN H 1 9 MET HB3 4.980 . 4.980 5.011 4.843 5.056 0.076 5 0 "[ . 1 . 2]" 1
105 1 8 GLN H 1 10 ASN H 4.100 . 4.100 3.631 3.535 3.869 . 0 0 "[ . 1 . 2]" 1
106 1 8 GLN HA 1 8 GLN HE21 4.240 . 4.240 1.910 1.754 2.023 . 0 0 "[ . 1 . 2]" 1
107 1 8 GLN HA 1 8 GLN HE22 5.060 . 5.060 3.598 3.458 3.689 . 0 0 "[ . 1 . 2]" 1
108 1 8 GLN HA 1 8 GLN HG2 3.440 . 3.440 2.338 2.266 2.469 . 0 0 "[ . 1 . 2]" 1
109 1 8 GLN HA 1 12 PHE H 4.330 . 4.330 4.165 4.075 4.307 . 0 0 "[ . 1 . 2]" 1
110 1 8 GLN HA 1 12 PHE HE2 4.530 . 4.530 4.197 4.016 4.360 . 0 0 "[ . 1 . 2]" 1
111 1 8 GLN HA 1 39 LEU MD2 5.500 . 5.500 5.218 4.844 5.373 . 0 0 "[ . 1 . 2]" 1
112 1 8 GLN HB2 1 8 GLN HE21 4.360 . 4.360 3.880 3.813 3.940 . 0 0 "[ . 1 . 2]" 1
113 1 8 GLN HB2 1 8 GLN HE22 5.040 . 5.040 4.908 4.869 4.947 . 0 0 "[ . 1 . 2]" 1
114 1 8 GLN HB2 1 9 MET H 3.440 . 3.440 2.475 2.421 2.542 . 0 0 "[ . 1 . 2]" 1
115 1 8 GLN HB2 1 10 ASN H 4.650 . 4.650 4.585 4.534 4.679 0.029 13 0 "[ . 1 . 2]" 1
116 1 8 GLN HB2 1 12 PHE HD2 4.640 . 4.640 4.354 4.238 4.529 . 0 0 "[ . 1 . 2]" 1
117 1 8 GLN HB3 1 8 GLN HE21 3.200 . 3.200 2.954 2.865 3.025 . 0 0 "[ . 1 . 2]" 1
118 1 8 GLN HB3 1 8 GLN HE22 3.960 . 3.960 3.633 3.565 3.743 . 0 0 "[ . 1 . 2]" 1
119 1 8 GLN HB3 1 9 MET H 2.970 . 2.970 2.829 2.706 2.908 . 0 0 "[ . 1 . 2]" 1
120 1 8 GLN HB3 1 12 PHE HD2 3.430 . 3.430 2.902 2.808 3.017 . 0 0 "[ . 1 . 2]" 1
121 1 8 GLN HB3 1 12 PHE HE2 3.630 . 3.630 2.326 2.207 2.556 . 0 0 "[ . 1 . 2]" 1
122 1 8 GLN HE21 1 8 GLN HG2 3.480 . 3.480 2.487 2.441 2.561 . 0 0 "[ . 1 . 2]" 1
123 1 8 GLN HE21 1 9 MET HA 5.500 . 5.500 5.537 5.516 5.569 0.069 17 0 "[ . 1 . 2]" 1
124 1 8 GLN HE21 1 11 GLU H 5.340 . 5.340 4.792 4.609 4.920 . 0 0 "[ . 1 . 2]" 1
125 1 8 GLN HE21 1 39 LEU MD2 4.390 . 4.390 4.261 3.773 4.458 0.068 4 0 "[ . 1 . 2]" 1
126 1 8 GLN HE22 1 12 PHE H 5.500 . 5.500 5.474 5.340 5.522 0.022 20 0 "[ . 1 . 2]" 1
127 1 8 GLN HE22 1 39 LEU MD2 4.570 . 4.570 3.939 3.481 4.152 . 0 0 "[ . 1 . 2]" 1
128 1 8 GLN HG2 1 9 MET H 5.050 . 5.050 4.658 4.599 4.725 . 0 0 "[ . 1 . 2]" 1
129 1 8 GLN HG3 1 9 MET H 5.410 . 5.410 4.649 4.589 4.732 . 0 0 "[ . 1 . 2]" 1
130 1 9 MET H 1 9 MET HB3 2.690 . 2.690 2.375 2.034 2.472 . 0 0 "[ . 1 . 2]" 1
131 1 9 MET H 1 9 MET ME 4.150 . 4.150 3.544 3.364 4.174 0.024 13 0 "[ . 1 . 2]" 1
132 1 9 MET H 1 9 MET HG2 3.300 . 3.300 2.509 2.246 3.303 0.003 16 0 "[ . 1 . 2]" 1
133 1 9 MET H 1 9 MET HG3 4.510 . 4.510 3.632 3.413 4.322 . 0 0 "[ . 1 . 2]" 1
134 1 9 MET H 1 10 ASN H 3.050 . 3.050 2.685 2.611 2.747 . 0 0 "[ . 1 . 2]" 1
135 1 9 MET H 1 10 ASN HA 5.500 . 5.500 5.299 5.254 5.341 . 0 0 "[ . 1 . 2]" 1
136 1 9 MET H 1 10 ASN HB2 5.500 . 5.500 5.518 5.480 5.576 0.076 13 0 "[ . 1 . 2]" 1
137 1 9 MET H 1 11 GLU H 4.820 . 4.820 4.695 4.580 4.789 . 0 0 "[ . 1 . 2]" 1
138 1 9 MET H 1 11 GLU HG2 5.500 . 5.500 5.050 4.877 5.336 . 0 0 "[ . 1 . 2]" 1
139 1 9 MET H 1 12 PHE H 5.020 . 5.020 4.851 4.780 4.930 . 0 0 "[ . 1 . 2]" 1
140 1 9 MET H 1 12 PHE HB2 4.800 . 4.800 4.782 4.718 4.857 0.057 13 0 "[ . 1 . 2]" 1
141 1 9 MET H 1 12 PHE HD2 4.320 . 4.320 3.578 3.518 3.649 . 0 0 "[ . 1 . 2]" 1
142 1 9 MET H 1 12 PHE HE2 4.920 . 4.920 4.688 4.580 4.768 . 0 0 "[ . 1 . 2]" 1
143 1 9 MET HA 1 9 MET ME 4.060 . 4.060 4.212 4.051 4.287 0.227 1 0 "[ . 1 . 2]" 1
144 1 9 MET HA 1 10 ASN H 3.440 . 3.440 3.456 3.436 3.488 0.048 13 0 "[ . 1 . 2]" 1
145 1 9 MET HA 1 12 PHE H 3.740 . 3.740 3.379 3.298 3.504 . 0 0 "[ . 1 . 2]" 1
146 1 9 MET HA 1 12 PHE HB2 3.700 . 3.700 2.209 2.141 2.312 . 0 0 "[ . 1 . 2]" 1
147 1 9 MET HA 1 12 PHE HD2 3.280 . 3.280 2.008 1.951 2.046 . 0 0 "[ . 1 . 2]" 1
148 1 9 MET HA 1 12 PHE HE2 4.370 . 4.370 4.324 4.252 4.370 . 0 0 "[ . 1 . 2]" 1
149 1 9 MET HA 1 13 ARG HD2 4.300 . 4.300 4.239 3.998 4.329 0.029 16 0 "[ . 1 . 2]" 1
150 1 9 MET HA 1 13 ARG HG3 4.740 . 4.740 4.121 3.817 4.438 . 0 0 "[ . 1 . 2]" 1
151 1 9 MET HA 1 74 ILE MD 4.240 . 4.240 3.944 3.773 4.126 . 0 0 "[ . 1 . 2]" 1
152 1 9 MET HB3 1 10 ASN H 4.190 . 4.190 3.950 3.583 4.036 . 0 0 "[ . 1 . 2]" 1
153 1 9 MET ME 1 9 MET HG2 3.550 . 3.550 2.576 2.379 3.456 . 0 0 "[ . 1 . 2]" 1
154 1 9 MET ME 1 9 MET HG3 3.400 . 3.400 3.307 2.806 3.416 0.016 5 0 "[ . 1 . 2]" 1
155 1 9 MET ME 1 10 ASN H 5.320 . 5.320 4.806 4.635 5.191 . 0 0 "[ . 1 . 2]" 1
156 1 9 MET HG2 1 12 PHE HD2 5.500 . 5.500 5.384 5.305 5.519 0.019 12 0 "[ . 1 . 2]" 1
157 1 9 MET HG3 1 12 PHE HD2 5.500 . 5.500 5.556 5.509 5.595 0.095 17 0 "[ . 1 . 2]" 1
158 1 9 MET HG3 1 13 ARG H 5.090 . 5.090 4.979 4.697 5.113 0.023 11 0 "[ . 1 . 2]" 1
159 1 10 ASN H 1 10 ASN HB2 3.100 . 3.100 3.001 2.952 3.038 . 0 0 "[ . 1 . 2]" 1
160 1 10 ASN H 1 10 ASN HB3 3.040 . 3.040 2.089 2.050 2.139 . 0 0 "[ . 1 . 2]" 1
161 1 10 ASN H 1 10 ASN HD21 4.420 . 4.420 3.768 3.692 3.853 . 0 0 "[ . 1 . 2]" 1
162 1 10 ASN H 1 10 ASN HD22 5.390 . 5.390 5.191 5.136 5.251 . 0 0 "[ . 1 . 2]" 1
163 1 10 ASN H 1 11 GLU H 3.000 . 3.000 2.794 2.744 2.851 . 0 0 "[ . 1 . 2]" 1
164 1 10 ASN H 1 11 GLU HG2 4.230 . 4.230 4.023 3.922 4.242 0.012 16 0 "[ . 1 . 2]" 1
165 1 10 ASN H 1 12 PHE H 3.910 . 3.910 3.910 3.882 3.936 0.026 14 0 "[ . 1 . 2]" 1
166 1 10 ASN H 1 13 ARG H 5.110 . 5.110 4.669 4.627 4.736 . 0 0 "[ . 1 . 2]" 1
167 1 10 ASN HA 1 10 ASN HD21 4.690 . 4.690 4.386 4.328 4.415 . 0 0 "[ . 1 . 2]" 1
168 1 10 ASN HA 1 10 ASN HD22 4.990 . 4.990 4.930 4.831 4.965 . 0 0 "[ . 1 . 2]" 1
169 1 10 ASN HA 1 11 GLU H 3.560 . 3.560 3.595 3.576 3.616 0.056 7 0 "[ . 1 . 2]" 1
170 1 10 ASN HA 1 12 PHE H 4.730 . 4.730 4.516 4.434 4.569 . 0 0 "[ . 1 . 2]" 1
171 1 10 ASN HA 1 13 ARG H 4.470 . 4.470 3.751 3.606 3.868 . 0 0 "[ . 1 . 2]" 1
172 1 10 ASN HA 1 13 ARG HB2 3.870 . 3.870 3.172 3.039 3.328 . 0 0 "[ . 1 . 2]" 1
173 1 10 ASN HA 1 13 ARG HD3 4.540 . 4.540 3.165 2.740 3.516 . 0 0 "[ . 1 . 2]" 1
174 1 10 ASN HA 1 14 ALA H 4.490 . 4.490 4.105 3.987 4.219 . 0 0 "[ . 1 . 2]" 1
175 1 10 ASN HB2 1 10 ASN HD22 4.080 . 4.080 4.046 4.018 4.068 . 0 0 "[ . 1 . 2]" 1
176 1 10 ASN HB2 1 11 GLU H 4.090 . 4.090 3.962 3.914 4.027 . 0 0 "[ . 1 . 2]" 1
177 1 10 ASN HB3 1 10 ASN HD22 3.980 . 3.980 3.448 3.428 3.466 . 0 0 "[ . 1 . 2]" 1
178 1 10 ASN HB3 1 11 GLU H 3.340 . 3.340 2.699 2.623 2.780 . 0 0 "[ . 1 . 2]" 1
179 1 10 ASN HB3 1 12 PHE H 5.240 . 5.240 4.876 4.818 4.973 . 0 0 "[ . 1 . 2]" 1
180 1 10 ASN HD21 1 11 GLU HB2 5.430 . 5.430 4.713 4.578 4.949 . 0 0 "[ . 1 . 2]" 1
181 1 10 ASN HD21 1 11 GLU HG2 4.190 . 4.190 3.195 3.124 3.282 . 0 0 "[ . 1 . 2]" 1
182 1 10 ASN HD21 1 11 GLU HG3 4.770 . 4.770 4.746 4.613 4.789 0.019 7 0 "[ . 1 . 2]" 1
183 1 10 ASN HD22 1 11 GLU H 4.860 . 4.860 3.499 3.434 3.598 . 0 0 "[ . 1 . 2]" 1
184 1 10 ASN HD22 1 11 GLU HB2 5.500 . 5.500 4.698 4.532 4.984 . 0 0 "[ . 1 . 2]" 1
185 1 10 ASN HD22 1 11 GLU HG2 4.510 . 4.510 4.294 4.196 4.441 . 0 0 "[ . 1 . 2]" 1
186 1 10 ASN HD22 1 11 GLU HG3 5.500 . 5.500 5.550 5.525 5.574 0.074 11 0 "[ . 1 . 2]" 1
187 1 11 GLU H 1 11 GLU HB3 2.930 . 2.930 2.777 2.712 2.863 . 0 0 "[ . 1 . 2]" 1
188 1 11 GLU H 1 11 GLU HG2 3.320 . 3.320 1.878 1.755 2.086 . 0 0 "[ . 1 . 2]" 1
189 1 11 GLU H 1 11 GLU HG3 3.210 . 3.210 2.912 2.619 3.074 . 0 0 "[ . 1 . 2]" 1
190 1 11 GLU H 1 12 PHE H 3.020 . 3.020 2.551 2.487 2.627 . 0 0 "[ . 1 . 2]" 1
191 1 11 GLU H 1 12 PHE HA 5.280 . 5.280 5.215 5.163 5.283 0.003 5 0 "[ . 1 . 2]" 1
192 1 11 GLU H 1 12 PHE HB2 4.640 . 4.640 4.575 4.521 4.646 0.006 5 0 "[ . 1 . 2]" 1
193 1 11 GLU H 1 12 PHE HD2 5.500 . 5.500 4.957 4.857 5.148 . 0 0 "[ . 1 . 2]" 1
194 1 11 GLU H 1 13 ARG H 4.560 . 4.560 4.251 4.134 4.365 . 0 0 "[ . 1 . 2]" 1
195 1 11 GLU H 1 14 ALA H 5.210 . 5.210 4.625 4.559 4.715 . 0 0 "[ . 1 . 2]" 1
196 1 11 GLU H 1 39 LEU MD2 5.500 . 5.500 5.090 4.960 5.268 . 0 0 "[ . 1 . 2]" 1
197 1 11 GLU HA 1 11 GLU HG2 3.990 . 3.990 3.677 3.600 3.779 . 0 0 "[ . 1 . 2]" 1
198 1 11 GLU HA 1 11 GLU HG3 3.710 . 3.710 3.727 3.638 3.752 0.042 17 0 "[ . 1 . 2]" 1
199 1 11 GLU HA 1 14 ALA MB 3.430 . 3.430 2.300 2.176 2.470 . 0 0 "[ . 1 . 2]" 1
200 1 11 GLU HB2 1 11 GLU HG3 2.980 . 2.980 2.453 2.375 2.565 . 0 0 "[ . 1 . 2]" 1
201 1 11 GLU HB2 1 12 PHE H 3.850 . 3.850 3.827 3.702 3.878 0.028 11 0 "[ . 1 . 2]" 1
202 1 11 GLU HB3 1 11 GLU HG2 2.830 . 2.830 2.412 2.322 2.467 . 0 0 "[ . 1 . 2]" 1
203 1 11 GLU HG2 1 12 PHE H 4.110 . 4.110 2.960 2.727 3.289 . 0 0 "[ . 1 . 2]" 1
204 1 11 GLU HG3 1 12 PHE H 3.630 . 3.630 2.378 2.131 2.582 . 0 0 "[ . 1 . 2]" 1
205 1 12 PHE H 1 12 PHE HB2 2.940 . 2.940 2.331 2.291 2.385 . 0 0 "[ . 1 . 2]" 1
206 1 12 PHE H 1 12 PHE HD2 3.610 . 3.610 3.278 3.181 3.417 . 0 0 "[ . 1 . 2]" 1
207 1 12 PHE H 1 13 ARG H 3.120 . 3.120 2.765 2.680 2.834 . 0 0 "[ . 1 . 2]" 1
208 1 12 PHE H 1 13 ARG HB2 5.210 . 5.210 4.841 4.718 4.951 . 0 0 "[ . 1 . 2]" 1
209 1 12 PHE H 1 14 ALA H 4.400 . 4.400 4.076 3.985 4.142 . 0 0 "[ . 1 . 2]" 1
210 1 12 PHE H 1 39 LEU MD2 4.520 . 4.520 3.985 3.891 4.141 . 0 0 "[ . 1 . 2]" 1
211 1 12 PHE HA 1 12 PHE HD1 3.050 . 3.050 2.220 2.136 2.274 . 0 0 "[ . 1 . 2]" 1
212 1 12 PHE HA 1 14 ALA H 4.860 . 4.860 4.575 4.495 4.658 . 0 0 "[ . 1 . 2]" 1
213 1 12 PHE HA 1 15 SER H 3.890 . 3.890 3.714 3.551 3.870 . 0 0 "[ . 1 . 2]" 1
214 1 12 PHE HA 1 16 PHE H 4.560 . 4.560 4.176 4.029 4.286 . 0 0 "[ . 1 . 2]" 1
215 1 12 PHE HA 1 39 LEU MD2 4.570 . 4.570 2.841 2.662 3.056 . 0 0 "[ . 1 . 2]" 1
216 1 12 PHE HB2 1 12 PHE HD2 3.130 . 3.130 2.315 2.293 2.336 . 0 0 "[ . 1 . 2]" 1
217 1 12 PHE HB2 1 12 PHE HE2 4.830 . 4.830 4.656 4.630 4.688 . 0 0 "[ . 1 . 2]" 1
218 1 12 PHE HB2 1 13 ARG H 3.170 . 3.170 2.531 2.443 2.646 . 0 0 "[ . 1 . 2]" 1
219 1 12 PHE HB2 1 14 ALA H 5.200 . 5.200 4.919 4.841 4.979 . 0 0 "[ . 1 . 2]" 1
220 1 12 PHE HB3 1 70 PHE HE2 4.090 . 4.090 2.233 2.132 2.347 . 0 0 "[ . 1 . 2]" 1
221 1 12 PHE HB3 1 74 ILE MD 3.620 . 3.620 2.537 2.371 2.797 . 0 0 "[ . 1 . 2]" 1
222 1 12 PHE HD1 1 39 LEU MD2 3.560 . 3.560 3.133 2.763 3.473 . 0 0 "[ . 1 . 2]" 1
223 1 12 PHE HD1 1 74 ILE MD 3.860 . 3.860 3.773 3.582 3.925 0.065 3 0 "[ . 1 . 2]" 1
224 1 12 PHE HD2 1 13 ARG H 4.960 . 4.960 4.665 4.585 4.767 . 0 0 "[ . 1 . 2]" 1
225 1 12 PHE HD2 1 74 ILE MD 4.070 . 4.070 3.480 3.303 3.722 . 0 0 "[ . 1 . 2]" 1
226 1 12 PHE HE2 1 74 ILE MD 4.240 . 4.240 4.206 4.042 4.348 0.108 3 0 "[ . 1 . 2]" 1
227 1 12 PHE HE2 1 77 MET HB2 5.460 . 5.460 5.423 5.319 5.513 0.053 13 0 "[ . 1 . 2]" 1
228 1 12 PHE HE2 1 77 MET ME 3.050 . 3.050 2.649 2.344 3.087 0.037 20 0 "[ . 1 . 2]" 1
229 1 12 PHE HZ 1 39 LEU MD1 4.850 . 4.850 3.736 3.510 4.032 . 0 0 "[ . 1 . 2]" 1
230 1 12 PHE HZ 1 39 LEU MD2 4.490 . 4.490 4.470 4.283 4.559 0.069 18 0 "[ . 1 . 2]" 1
231 1 12 PHE HZ 1 74 ILE MD 4.710 . 4.710 4.608 4.491 4.721 0.011 1 0 "[ . 1 . 2]" 1
232 1 12 PHE HZ 1 77 MET HB2 4.800 . 4.800 4.003 3.853 4.194 . 0 0 "[ . 1 . 2]" 1
233 1 12 PHE HZ 1 77 MET ME 4.390 . 4.390 2.134 1.988 2.295 . 0 0 "[ . 1 . 2]" 1
234 1 13 ARG H 1 13 ARG HB2 2.620 . 2.620 2.367 2.300 2.420 . 0 0 "[ . 1 . 2]" 1
235 1 13 ARG H 1 13 ARG HD2 4.120 . 4.120 3.881 3.533 4.142 0.022 9 0 "[ . 1 . 2]" 1
236 1 13 ARG H 1 13 ARG HD3 4.320 . 4.320 3.768 3.358 4.059 . 0 0 "[ . 1 . 2]" 1
237 1 13 ARG H 1 13 ARG HG3 3.120 . 3.120 2.541 2.331 2.788 . 0 0 "[ . 1 . 2]" 1
238 1 13 ARG H 1 14 ALA H 3.080 . 3.080 2.612 2.517 2.688 . 0 0 "[ . 1 . 2]" 1
239 1 13 ARG H 1 14 ALA MB 4.690 . 4.690 4.320 4.237 4.394 . 0 0 "[ . 1 . 2]" 1
240 1 13 ARG H 1 15 SER H 4.550 . 4.550 4.240 4.169 4.290 . 0 0 "[ . 1 . 2]" 1
241 1 13 ARG H 1 16 PHE H 5.060 . 5.060 4.983 4.874 5.062 0.002 1 0 "[ . 1 . 2]" 1
242 1 13 ARG H 1 70 PHE HD2 5.060 . 5.060 5.030 4.892 5.088 0.028 1 0 "[ . 1 . 2]" 1
243 1 13 ARG H 1 70 PHE HE2 3.300 . 3.300 3.062 2.973 3.125 . 0 0 "[ . 1 . 2]" 1
244 1 13 ARG H 1 74 ILE MD 5.180 . 5.180 5.124 5.038 5.225 0.045 3 0 "[ . 1 . 2]" 1
245 1 13 ARG HA 1 70 PHE HD2 4.230 . 4.230 2.863 2.738 2.965 . 0 0 "[ . 1 . 2]" 1
246 1 13 ARG HB2 1 13 ARG HD3 3.530 . 3.530 2.147 2.076 2.229 . 0 0 "[ . 1 . 2]" 1
247 1 13 ARG HB2 1 14 ALA H 2.840 . 2.840 2.635 2.566 2.717 . 0 0 "[ . 1 . 2]" 1
248 1 13 ARG HB2 1 70 PHE HE2 4.730 . 4.730 4.346 4.267 4.434 . 0 0 "[ . 1 . 2]" 1
249 1 13 ARG HB3 1 70 PHE HE2 5.110 . 5.110 4.467 4.378 4.658 . 0 0 "[ . 1 . 2]" 1
250 1 13 ARG HD2 1 70 PHE HE2 4.660 . 4.660 4.613 4.544 4.673 0.013 17 0 "[ . 1 . 2]" 1
251 1 13 ARG HD2 1 70 PHE HZ 3.730 . 3.730 3.675 3.457 3.832 0.102 13 0 "[ . 1 . 2]" 1
252 1 13 ARG HD3 1 14 ALA H 4.730 . 4.730 4.685 4.554 4.742 0.012 2 0 "[ . 1 . 2]" 1
253 1 13 ARG HG2 1 70 PHE HD2 5.090 . 5.090 4.393 4.139 4.791 . 0 0 "[ . 1 . 2]" 1
254 1 13 ARG HG2 1 70 PHE HE2 4.450 . 4.450 3.443 3.232 3.914 . 0 0 "[ . 1 . 2]" 1
255 1 13 ARG HG3 1 70 PHE HD2 5.500 . 5.500 4.388 4.277 4.513 . 0 0 "[ . 1 . 2]" 1
256 1 13 ARG HG3 1 70 PHE HZ 4.140 . 4.140 2.569 2.471 2.677 . 0 0 "[ . 1 . 2]" 1
257 1 14 ALA H 1 14 ALA HA 2.870 . 2.870 2.859 2.846 2.890 0.020 13 0 "[ . 1 . 2]" 1
258 1 14 ALA H 1 14 ALA MB 2.500 . 2.500 2.244 2.233 2.258 . 0 0 "[ . 1 . 2]" 1
259 1 14 ALA H 1 15 SER H 3.020 . 3.020 2.755 2.678 2.814 . 0 0 "[ . 1 . 2]" 1
260 1 14 ALA H 1 16 PHE H 4.720 . 4.720 4.353 4.272 4.414 . 0 0 "[ . 1 . 2]" 1
261 1 14 ALA H 1 17 ASN HB3 4.790 . 4.790 4.714 4.633 4.788 . 0 0 "[ . 1 . 2]" 1
262 1 14 ALA H 1 70 PHE HE2 5.020 . 5.020 5.028 5.008 5.081 0.061 13 0 "[ . 1 . 2]" 1
263 1 14 ALA HA 1 17 ASN H 3.390 . 3.390 3.410 3.393 3.433 0.043 17 0 "[ . 1 . 2]" 1
264 1 14 ALA HA 1 17 ASN HB2 3.960 . 3.960 3.905 3.791 3.991 0.031 13 0 "[ . 1 . 2]" 1
265 1 14 ALA HA 1 17 ASN HD21 4.380 . 4.380 2.815 2.494 2.968 . 0 0 "[ . 1 . 2]" 1
266 1 14 ALA HA 1 17 ASN HD22 4.640 . 4.640 4.238 3.873 4.297 . 0 0 "[ . 1 . 2]" 1
267 1 14 ALA MB 1 15 SER H 2.830 . 2.830 2.670 2.617 2.723 . 0 0 "[ . 1 . 2]" 1
268 1 14 ALA MB 1 15 SER HA 4.020 . 4.020 3.873 3.857 3.911 . 0 0 "[ . 1 . 2]" 1
269 1 14 ALA MB 1 16 PHE H 5.090 . 5.090 4.700 4.649 4.756 . 0 0 "[ . 1 . 2]" 1
270 1 14 ALA MB 1 17 ASN H 4.600 . 4.600 4.585 4.556 4.621 0.021 17 0 "[ . 1 . 2]" 1
271 1 14 ALA MB 1 17 ASN HB3 4.360 . 4.360 3.991 3.913 4.068 . 0 0 "[ . 1 . 2]" 1
272 1 14 ALA MB 1 17 ASN HD21 3.830 . 3.830 3.537 3.218 3.626 . 0 0 "[ . 1 . 2]" 1
273 1 14 ALA MB 1 17 ASN HD22 4.590 . 4.590 4.601 4.136 4.651 0.061 6 0 "[ . 1 . 2]" 1
274 1 14 ALA MB 1 18 HIS H 4.520 . 4.520 4.500 4.390 4.573 0.053 1 0 "[ . 1 . 2]" 1
275 1 15 SER H 1 15 SER QB 2.810 . 2.810 2.474 2.260 2.688 . 0 0 "[ . 1 . 2]" 1
276 1 15 SER H 1 16 PHE HB3 4.960 . 4.960 4.494 4.418 4.540 . 0 0 "[ . 1 . 2]" 1
277 1 15 SER H 1 17 ASN H 4.170 . 4.170 4.010 3.916 4.055 . 0 0 "[ . 1 . 2]" 1
278 1 15 SER H 1 17 ASN HB3 5.050 . 5.050 4.827 4.746 4.898 . 0 0 "[ . 1 . 2]" 1
279 1 15 SER H 1 17 ASN HD21 5.500 . 5.500 5.438 5.010 5.503 0.003 4 0 "[ . 1 . 2]" 1
280 1 15 SER HA 1 18 HIS H 3.470 . 3.470 3.149 3.019 3.273 . 0 0 "[ . 1 . 2]" 1
281 1 15 SER HA 1 18 HIS QB 4.180 . 4.180 2.476 2.330 2.606 . 0 0 "[ . 1 . 2]" 1
282 1 15 SER HA 1 39 LEU MD2 5.500 . 5.500 5.185 4.987 5.452 . 0 0 "[ . 1 . 2]" 1
283 1 15 SER QB 1 16 PHE H 3.550 . 3.550 2.715 2.498 3.397 . 0 0 "[ . 1 . 2]" 1
284 1 15 SER QB 1 39 LEU MD2 4.140 . 4.140 3.015 2.654 3.187 . 0 0 "[ . 1 . 2]" 1
285 1 16 PHE H 1 16 PHE HB2 3.230 . 3.230 3.173 3.114 3.216 . 0 0 "[ . 1 . 2]" 1
286 1 16 PHE H 1 16 PHE HB3 3.110 . 3.110 2.068 2.049 2.098 . 0 0 "[ . 1 . 2]" 1
287 1 16 PHE H 1 16 PHE HD2 5.130 . 5.130 3.732 3.637 3.829 . 0 0 "[ . 1 . 2]" 1
288 1 16 PHE H 1 17 ASN H 3.220 . 3.220 2.674 2.610 2.720 . 0 0 "[ . 1 . 2]" 1
289 1 16 PHE H 1 17 ASN HB2 5.500 . 5.500 5.489 5.421 5.543 0.043 14 0 "[ . 1 . 2]" 1
290 1 16 PHE H 1 18 HIS H 4.250 . 4.250 4.060 3.988 4.167 . 0 0 "[ . 1 . 2]" 1
291 1 16 PHE H 1 70 PHE HD2 4.850 . 4.850 4.185 4.044 4.317 . 0 0 "[ . 1 . 2]" 1
292 1 16 PHE HA 1 27 LEU MD1 4.080 . 4.080 3.175 3.072 3.292 . 0 0 "[ . 1 . 2]" 1
293 1 16 PHE HA 1 27 LEU HG 4.930 . 4.930 4.982 4.958 5.010 0.080 17 0 "[ . 1 . 2]" 1
294 1 16 PHE HB2 1 17 ASN H 4.830 . 4.830 4.188 4.152 4.220 . 0 0 "[ . 1 . 2]" 1
295 1 16 PHE HB2 1 32 PHE HZ 4.750 . 4.750 2.880 2.787 2.949 . 0 0 "[ . 1 . 2]" 1
296 1 16 PHE HB2 1 70 PHE HA 4.310 . 4.310 3.660 3.452 3.773 . 0 0 "[ . 1 . 2]" 1
297 1 16 PHE HB2 1 70 PHE HD2 3.810 . 3.810 3.012 2.788 3.203 . 0 0 "[ . 1 . 2]" 1
298 1 16 PHE HB3 1 17 ASN H 3.430 . 3.430 3.102 3.017 3.174 . 0 0 "[ . 1 . 2]" 1
299 1 16 PHE HB3 1 32 PHE HZ 4.960 . 4.960 4.386 4.270 4.487 . 0 0 "[ . 1 . 2]" 1
300 1 16 PHE HB3 1 70 PHE HA 4.630 . 4.630 4.522 4.390 4.633 0.003 13 0 "[ . 1 . 2]" 1
301 1 16 PHE HB3 1 70 PHE HD2 3.830 . 3.830 2.390 2.275 2.538 . 0 0 "[ . 1 . 2]" 1
302 1 16 PHE HB3 1 70 PHE HE2 5.200 . 5.200 3.891 3.775 4.053 . 0 0 "[ . 1 . 2]" 1
303 1 16 PHE HD1 1 20 ASP H 4.840 . 4.840 4.474 4.414 4.522 . 0 0 "[ . 1 . 2]" 1
304 1 16 PHE HD1 1 20 ASP HB3 5.170 . 5.170 3.494 3.384 3.615 . 0 0 "[ . 1 . 2]" 1
305 1 16 PHE HD1 1 25 GLY HA2 4.910 . 4.910 4.884 4.731 4.946 0.036 13 0 "[ . 1 . 2]" 1
306 1 16 PHE HD1 1 26 THR H 5.330 . 5.330 5.177 5.083 5.278 . 0 0 "[ . 1 . 2]" 1
307 1 16 PHE HD1 1 27 LEU MD2 4.830 . 4.830 4.796 4.695 4.876 0.046 13 0 "[ . 1 . 2]" 1
308 1 16 PHE HD1 1 27 LEU HG 4.160 . 4.160 3.401 3.292 3.471 . 0 0 "[ . 1 . 2]" 1
309 1 16 PHE HD1 1 70 PHE H 4.940 . 4.940 4.487 4.351 4.650 . 0 0 "[ . 1 . 2]" 1
310 1 16 PHE HD1 1 70 PHE HB2 5.480 . 5.480 3.730 3.538 3.937 . 0 0 "[ . 1 . 2]" 1
311 1 16 PHE HD2 1 17 ASN H 4.420 . 4.420 3.025 2.966 3.091 . 0 0 "[ . 1 . 2]" 1
312 1 16 PHE HE1 1 27 LEU HG 5.040 . 5.040 4.068 3.984 4.184 . 0 0 "[ . 1 . 2]" 1
313 1 16 PHE HE1 1 70 PHE H 4.610 . 4.610 4.199 4.060 4.352 . 0 0 "[ . 1 . 2]" 1
314 1 16 PHE HE2 1 17 ASN H 5.500 . 5.500 4.690 4.619 4.772 . 0 0 "[ . 1 . 2]" 1
315 1 16 PHE HZ 1 25 GLY HA2 5.000 . 5.000 2.184 2.091 2.305 . 0 0 "[ . 1 . 2]" 1
316 1 17 ASN H 1 17 ASN HB2 3.180 . 3.180 2.914 2.864 3.016 . 0 0 "[ . 1 . 2]" 1
317 1 17 ASN H 1 17 ASN HB3 3.050 . 3.050 2.089 2.024 2.112 . 0 0 "[ . 1 . 2]" 1
318 1 17 ASN H 1 17 ASN HD21 4.090 . 4.090 3.781 3.554 3.835 . 0 0 "[ . 1 . 2]" 1
319 1 17 ASN H 1 18 HIS H 3.280 . 3.280 2.641 2.573 2.690 . 0 0 "[ . 1 . 2]" 1
320 1 17 ASN H 1 19 PHE H 4.310 . 4.310 4.219 4.072 4.299 . 0 0 "[ . 1 . 2]" 1
321 1 17 ASN H 1 20 ASP H 4.620 . 4.620 4.563 4.482 4.633 0.013 1 0 "[ . 1 . 2]" 1
322 1 17 ASN H 1 20 ASP HB3 5.330 . 5.330 4.871 4.784 5.004 . 0 0 "[ . 1 . 2]" 1
323 1 17 ASN H 1 27 LEU MD1 5.500 . 5.500 5.602 5.533 5.708 0.208 20 0 "[ . 1 . 2]" 1
324 1 17 ASN H 1 70 PHE HD2 5.500 . 5.500 5.155 5.053 5.259 . 0 0 "[ . 1 . 2]" 1
325 1 17 ASN HA 1 17 ASN HD21 4.750 . 4.750 4.196 4.129 4.275 . 0 0 "[ . 1 . 2]" 1
326 1 17 ASN HA 1 17 ASN HD22 5.170 . 5.170 4.811 4.770 4.903 . 0 0 "[ . 1 . 2]" 1
327 1 17 ASN HA 1 19 PHE H 4.850 . 4.850 4.238 3.994 4.412 . 0 0 "[ . 1 . 2]" 1
328 1 17 ASN HA 1 20 ASP H 3.650 . 3.650 3.263 3.054 3.389 . 0 0 "[ . 1 . 2]" 1
329 1 17 ASN HA 1 20 ASP HB2 4.620 . 4.620 4.268 4.088 4.579 . 0 0 "[ . 1 . 2]" 1
330 1 17 ASN HA 1 20 ASP HB3 4.480 . 4.480 2.735 2.568 3.014 . 0 0 "[ . 1 . 2]" 1
331 1 17 ASN HB2 1 18 HIS H 4.540 . 4.540 4.250 4.202 4.291 . 0 0 "[ . 1 . 2]" 1
332 1 17 ASN HB3 1 17 ASN HD22 3.990 . 3.990 3.470 3.447 3.495 . 0 0 "[ . 1 . 2]" 1
333 1 17 ASN HB3 1 18 HIS H 3.440 . 3.440 3.041 2.978 3.146 . 0 0 "[ . 1 . 2]" 1
334 1 17 ASN HD21 1 18 HIS H 3.740 . 3.740 2.907 2.785 3.101 . 0 0 "[ . 1 . 2]" 1
335 1 17 ASN HD22 1 18 HIS H 4.840 . 4.840 4.296 4.094 4.440 . 0 0 "[ . 1 . 2]" 1
336 1 18 HIS H 1 18 HIS HA 2.940 . 2.940 2.881 2.867 2.899 . 0 0 "[ . 1 . 2]" 1
337 1 18 HIS H 1 18 HIS HB2 3.220 . 3.220 2.532 2.420 2.622 . 0 0 "[ . 1 . 2]" 1
338 1 18 HIS H 1 18 HIS QB 2.800 . 2.800 2.235 2.212 2.273 . 0 0 "[ . 1 . 2]" 1
339 1 18 HIS H 1 18 HIS HB3 3.220 . 3.220 2.493 2.396 2.605 . 0 0 "[ . 1 . 2]" 1
340 1 18 HIS H 1 19 PHE H 3.320 . 3.320 2.545 2.467 2.584 . 0 0 "[ . 1 . 2]" 1
341 1 18 HIS H 1 19 PHE HB2 4.670 . 4.670 4.622 4.527 4.676 0.006 9 0 "[ . 1 . 2]" 1
342 1 18 HIS H 1 20 ASP H 3.930 . 3.930 3.901 3.834 3.945 0.015 11 0 "[ . 1 . 2]" 1
343 1 18 HIS H 1 27 LEU MD1 5.500 . 5.500 5.513 5.448 5.577 0.077 11 0 "[ . 1 . 2]" 1
344 1 18 HIS QB 1 19 PHE H 2.900 . 2.900 2.673 2.538 2.789 . 0 0 "[ . 1 . 2]" 1
345 1 18 HIS QB 1 19 PHE HD1 3.780 . 3.780 2.253 2.142 2.419 . 0 0 "[ . 1 . 2]" 1
346 1 19 PHE H 1 19 PHE HB2 3.240 . 3.240 2.292 2.261 2.327 . 0 0 "[ . 1 . 2]" 1
347 1 19 PHE H 1 19 PHE HD1 3.140 . 3.140 2.321 2.218 2.437 . 0 0 "[ . 1 . 2]" 1
348 1 19 PHE H 1 27 LEU MD1 3.920 . 3.920 3.729 3.672 3.802 . 0 0 "[ . 1 . 2]" 1
349 1 19 PHE HA 1 19 PHE HD1 3.930 . 3.930 3.359 3.281 3.463 . 0 0 "[ . 1 . 2]" 1
350 1 19 PHE HA 1 21 ARG H 4.550 . 4.550 4.171 4.046 4.360 . 0 0 "[ . 1 . 2]" 1
351 1 19 PHE HB2 1 19 PHE HD1 3.630 . 3.630 2.811 2.776 2.851 . 0 0 "[ . 1 . 2]" 1
352 1 19 PHE HB2 1 20 ASP H 3.630 . 3.630 2.812 2.735 2.912 . 0 0 "[ . 1 . 2]" 1
353 1 19 PHE HB2 1 20 ASP HB2 4.430 . 4.430 4.296 4.241 4.372 . 0 0 "[ . 1 . 2]" 1
354 1 19 PHE HB2 1 27 LEU MD1 3.960 . 3.960 2.213 2.152 2.265 . 0 0 "[ . 1 . 2]" 1
355 1 19 PHE HB2 1 27 LEU HG 5.090 . 5.090 4.634 4.588 4.701 . 0 0 "[ . 1 . 2]" 1
356 1 19 PHE HB3 1 20 ASP H 3.900 . 3.900 3.638 3.568 3.699 . 0 0 "[ . 1 . 2]" 1
357 1 19 PHE HB3 1 27 LEU MD1 3.920 . 3.920 2.117 2.056 2.186 . 0 0 "[ . 1 . 2]" 1
358 1 19 PHE HB3 1 31 GLU QB 4.480 . 4.480 3.212 3.069 3.308 . 0 0 "[ . 1 . 2]" 1
359 1 19 PHE HD2 1 27 LEU MD1 4.170 . 4.170 3.426 3.312 3.546 . 0 0 "[ . 1 . 2]" 1
360 1 19 PHE HD2 1 31 GLU HA 4.270 . 4.270 3.380 3.257 3.485 . 0 0 "[ . 1 . 2]" 1
361 1 19 PHE HD2 1 31 GLU QB 4.400 . 4.400 3.147 2.961 3.314 . 0 0 "[ . 1 . 2]" 1
362 1 19 PHE HD2 1 35 CYS HB2 5.050 . 5.050 3.668 3.536 3.841 . 0 0 "[ . 1 . 2]" 1
363 1 19 PHE HD2 1 35 CYS HB3 5.500 . 5.500 5.306 5.215 5.433 . 0 0 "[ . 1 . 2]" 1
364 1 19 PHE HE2 1 34 ALA MB 3.850 . 3.850 2.190 2.090 2.272 . 0 0 "[ . 1 . 2]" 1
365 1 19 PHE HE2 1 35 CYS HB3 5.500 . 5.500 5.508 5.439 5.543 0.043 9 0 "[ . 1 . 2]" 1
366 1 19 PHE HZ 1 34 ALA MB 3.700 . 3.700 3.489 3.334 3.661 . 0 0 "[ . 1 . 2]" 1
367 1 19 PHE HZ 1 35 CYS HA 3.810 . 3.810 2.951 2.847 3.050 . 0 0 "[ . 1 . 2]" 1
368 1 19 PHE HZ 1 35 CYS HB2 4.830 . 4.830 4.808 4.714 4.875 0.045 13 0 "[ . 1 . 2]" 1
369 1 19 PHE HZ 1 37 ILE H 5.500 . 5.500 5.351 5.240 5.509 0.009 18 0 "[ . 1 . 2]" 1
370 1 19 PHE HZ 1 38 SER QB 4.300 . 4.300 3.767 3.151 4.331 0.031 7 0 "[ . 1 . 2]" 1
371 1 20 ASP H 1 20 ASP HB2 2.840 . 2.840 2.761 2.715 2.840 . 0 0 "[ . 1 . 2]" 1
372 1 20 ASP H 1 20 ASP HB3 3.110 . 3.110 2.575 2.536 2.597 . 0 0 "[ . 1 . 2]" 1
373 1 20 ASP H 1 21 ARG H 3.630 . 3.630 3.650 3.618 3.706 0.076 1 0 "[ . 1 . 2]" 1
374 1 20 ASP H 1 21 ARG HA 4.780 . 4.780 4.819 4.795 4.855 0.075 17 0 "[ . 1 . 2]" 1
375 1 20 ASP H 1 21 ARG QG 4.400 . 4.400 4.140 4.017 4.452 0.052 1 0 "[ . 1 . 2]" 1
376 1 20 ASP H 1 22 ASP H 5.410 . 5.410 5.128 5.063 5.189 . 0 0 "[ . 1 . 2]" 1
377 1 20 ASP H 1 27 LEU MD1 3.190 . 3.190 2.756 2.695 2.852 . 0 0 "[ . 1 . 2]" 1
378 1 20 ASP H 1 27 LEU MD2 4.700 . 4.700 3.727 3.667 3.795 . 0 0 "[ . 1 . 2]" 1
379 1 20 ASP HA 1 21 ARG H 2.730 . 2.730 2.347 2.276 2.393 . 0 0 "[ . 1 . 2]" 1
380 1 20 ASP HA 1 21 ARG HB2 5.070 . 5.070 4.672 4.537 4.866 . 0 0 "[ . 1 . 2]" 1
381 1 20 ASP HA 1 22 ASP H 4.100 . 4.100 2.871 2.812 2.953 . 0 0 "[ . 1 . 2]" 1
382 1 20 ASP HA 1 23 HIS H 4.400 . 4.400 3.913 3.791 4.048 . 0 0 "[ . 1 . 2]" 1
383 1 20 ASP HA 1 27 LEU MD1 3.580 . 3.580 3.072 3.004 3.143 . 0 0 "[ . 1 . 2]" 1
384 1 20 ASP HB2 1 25 GLY H 5.260 . 5.260 4.479 4.408 4.543 . 0 0 "[ . 1 . 2]" 1
385 1 20 ASP HB2 1 26 THR H 4.980 . 4.980 4.580 4.522 4.657 . 0 0 "[ . 1 . 2]" 1
386 1 20 ASP HB2 1 27 LEU HA 4.780 . 4.780 4.770 4.684 4.806 0.026 6 0 "[ . 1 . 2]" 1
387 1 20 ASP HB2 1 27 LEU MD1 3.840 . 3.840 2.485 2.408 2.568 . 0 0 "[ . 1 . 2]" 1
388 1 20 ASP HB2 1 27 LEU MD2 4.390 . 4.390 2.706 2.544 2.864 . 0 0 "[ . 1 . 2]" 1
389 1 20 ASP HB2 1 27 LEU HG 4.300 . 4.300 2.145 2.076 2.181 . 0 0 "[ . 1 . 2]" 1
390 1 20 ASP HB3 1 21 ARG H 4.490 . 4.490 4.435 4.392 4.471 . 0 0 "[ . 1 . 2]" 1
391 1 20 ASP HB3 1 22 ASP H 4.940 . 4.940 4.532 4.445 4.657 . 0 0 "[ . 1 . 2]" 1
392 1 20 ASP HB3 1 23 HIS H 4.460 . 4.460 3.979 3.839 4.118 . 0 0 "[ . 1 . 2]" 1
393 1 20 ASP HB3 1 25 GLY H 4.860 . 4.860 4.247 4.188 4.336 . 0 0 "[ . 1 . 2]" 1
394 1 20 ASP HB3 1 26 THR H 5.120 . 5.120 5.157 5.133 5.205 0.085 17 0 "[ . 1 . 2]" 1
395 1 20 ASP HB3 1 27 LEU MD1 4.680 . 4.680 3.695 3.620 3.754 . 0 0 "[ . 1 . 2]" 1
396 1 20 ASP HB3 1 27 LEU HG 4.140 . 4.140 3.869 3.796 3.907 . 0 0 "[ . 1 . 2]" 1
397 1 21 ARG H 1 21 ARG HB2 2.630 . 2.630 2.435 2.249 2.619 . 0 0 "[ . 1 . 2]" 1
398 1 21 ARG H 1 21 ARG HD2 5.000 . 5.000 4.386 3.452 4.791 . 0 0 "[ . 1 . 2]" 1
399 1 21 ARG H 1 21 ARG QD 4.280 . 4.280 3.799 3.350 4.180 . 0 0 "[ . 1 . 2]" 1
400 1 21 ARG H 1 21 ARG HD3 5.000 . 5.000 4.305 3.517 4.899 . 0 0 "[ . 1 . 2]" 1
401 1 21 ARG H 1 21 ARG QG 2.970 . 2.970 2.327 2.097 2.773 . 0 0 "[ . 1 . 2]" 1
402 1 21 ARG H 1 22 ASP H 3.130 . 3.130 2.521 2.440 2.592 . 0 0 "[ . 1 . 2]" 1
403 1 21 ARG H 1 22 ASP HB2 4.800 . 4.800 4.390 4.230 4.552 . 0 0 "[ . 1 . 2]" 1
404 1 21 ARG H 1 27 LEU MD1 4.840 . 4.840 4.595 4.504 4.718 . 0 0 "[ . 1 . 2]" 1
405 1 21 ARG HA 1 21 ARG QG 3.490 . 3.490 2.516 2.372 3.090 . 0 0 "[ . 1 . 2]" 1
406 1 21 ARG HA 1 23 HIS H 3.710 . 3.710 3.417 3.268 3.559 . 0 0 "[ . 1 . 2]" 1
407 1 21 ARG HB2 1 22 ASP H 3.510 . 3.510 3.447 3.302 3.543 0.033 5 0 "[ . 1 . 2]" 1
408 1 21 ARG QG 1 22 ASP H 4.630 . 4.630 4.300 4.060 4.483 . 0 0 "[ . 1 . 2]" 1
409 1 22 ASP H 1 22 ASP HB2 3.540 . 3.540 2.512 2.371 2.618 . 0 0 "[ . 1 . 2]" 1
410 1 22 ASP H 1 22 ASP HB3 3.580 . 3.580 2.680 2.591 2.905 . 0 0 "[ . 1 . 2]" 1
411 1 22 ASP H 1 23 HIS H 2.850 . 2.850 2.130 2.015 2.254 . 0 0 "[ . 1 . 2]" 1
412 1 22 ASP H 1 23 HIS HA 4.860 . 4.860 4.250 4.174 4.326 . 0 0 "[ . 1 . 2]" 1
413 1 22 ASP H 1 23 HIS QB 5.320 . 5.320 4.967 4.822 5.072 . 0 0 "[ . 1 . 2]" 1
414 1 22 ASP H 1 24 SER H 4.390 . 4.390 3.820 3.678 3.936 . 0 0 "[ . 1 . 2]" 1
415 1 22 ASP H 1 27 LEU MD1 5.500 . 5.500 5.604 5.548 5.690 0.190 1 0 "[ . 1 . 2]" 1
416 1 22 ASP HA 1 23 HIS H 3.460 . 3.460 3.325 3.217 3.402 . 0 0 "[ . 1 . 2]" 1
417 1 22 ASP HA 1 23 HIS HD2 4.630 . 4.630 4.314 4.136 4.558 . 0 0 "[ . 1 . 2]" 1
418 1 22 ASP HB2 1 23 HIS H 4.190 . 4.190 4.012 3.886 4.181 . 0 0 "[ . 1 . 2]" 1
419 1 22 ASP HB2 1 24 SER H 5.240 . 5.240 4.473 4.286 4.695 . 0 0 "[ . 1 . 2]" 1
420 1 22 ASP HB3 1 23 HIS H 4.150 . 4.150 3.334 3.148 3.563 . 0 0 "[ . 1 . 2]" 1
421 1 22 ASP HB3 1 24 SER H 4.790 . 4.790 2.837 2.646 3.079 . 0 0 "[ . 1 . 2]" 1
422 1 22 ASP HB3 1 25 GLY H 5.500 . 5.500 5.193 4.960 5.414 . 0 0 "[ . 1 . 2]" 1
423 1 23 HIS H 1 23 HIS HA 2.610 . 2.610 2.241 2.205 2.260 . 0 0 "[ . 1 . 2]" 1
424 1 23 HIS H 1 23 HIS QB 3.270 . 3.270 3.177 2.855 3.340 0.070 13 0 "[ . 1 . 2]" 1
425 1 23 HIS H 1 23 HIS HD2 4.190 . 4.190 4.134 3.973 4.221 0.031 20 0 "[ . 1 . 2]" 1
426 1 23 HIS H 1 24 SER H 3.220 . 3.220 2.855 2.702 3.073 . 0 0 "[ . 1 . 2]" 1
427 1 23 HIS H 1 25 GLY H 4.720 . 4.720 4.428 4.268 4.654 . 0 0 "[ . 1 . 2]" 1
428 1 23 HIS HA 1 23 HIS HD2 4.550 . 4.550 4.561 4.479 4.633 0.083 17 0 "[ . 1 . 2]" 1
429 1 23 HIS HA 1 24 SER H 3.480 . 3.480 2.789 2.727 2.841 . 0 0 "[ . 1 . 2]" 1
430 1 23 HIS HA 1 24 SER QB 5.180 . 5.180 4.747 4.529 5.025 . 0 0 "[ . 1 . 2]" 1
431 1 23 HIS HA 1 25 GLY H 3.780 . 3.780 3.087 2.930 3.199 . 0 0 "[ . 1 . 2]" 1
432 1 23 HIS QB 1 23 HIS HD2 3.330 . 3.330 2.616 2.591 2.669 . 0 0 "[ . 1 . 2]" 1
433 1 24 SER H 1 24 SER QB 3.430 . 3.430 2.363 2.196 2.732 . 0 0 "[ . 1 . 2]" 1
434 1 24 SER H 1 25 GLY H 3.020 . 3.020 2.446 2.379 2.495 . 0 0 "[ . 1 . 2]" 1
435 1 24 SER H 1 26 THR H 3.740 . 3.740 3.635 3.530 3.729 . 0 0 "[ . 1 . 2]" 1
436 1 24 SER QB 1 26 THR H 3.960 . 3.960 2.541 2.196 3.439 . 0 0 "[ . 1 . 2]" 1
437 1 25 GLY H 1 25 GLY HA2 2.910 . 2.910 2.366 2.332 2.384 . 0 0 "[ . 1 . 2]" 1
438 1 25 GLY H 1 26 THR H 3.040 . 3.040 2.248 2.168 2.298 . 0 0 "[ . 1 . 2]" 1
439 1 25 GLY H 1 26 THR HA 4.910 . 4.910 4.848 4.798 4.913 0.003 7 0 "[ . 1 . 2]" 1
440 1 25 GLY H 1 26 THR MG 5.170 . 5.170 4.944 4.711 5.128 . 0 0 "[ . 1 . 2]" 1
441 1 25 GLY H 1 27 LEU HG 5.390 . 5.390 5.313 5.194 5.411 0.021 13 0 "[ . 1 . 2]" 1
442 1 25 GLY HA2 1 26 THR H 3.430 . 3.430 3.236 3.174 3.283 . 0 0 "[ . 1 . 2]" 1
443 1 25 GLY HA2 1 70 PHE H 4.860 . 4.860 4.582 4.438 4.748 . 0 0 "[ . 1 . 2]" 1
444 1 25 GLY HA3 1 26 THR H 3.440 . 3.440 3.288 3.234 3.313 . 0 0 "[ . 1 . 2]" 1
445 1 26 THR H 1 26 THR MG 3.700 . 3.700 3.400 3.185 3.554 . 0 0 "[ . 1 . 2]" 1
446 1 26 THR H 1 27 LEU H 4.470 . 4.470 4.378 4.336 4.431 . 0 0 "[ . 1 . 2]" 1
447 1 26 THR H 1 27 LEU MD2 4.720 . 4.720 4.479 4.306 4.703 . 0 0 "[ . 1 . 2]" 1
448 1 26 THR H 1 27 LEU HG 4.600 . 4.600 4.418 4.340 4.490 . 0 0 "[ . 1 . 2]" 1
449 1 26 THR HA 1 26 THR MG 3.440 . 3.440 2.307 2.253 2.372 . 0 0 "[ . 1 . 2]" 1
450 1 26 THR HA 1 27 LEU H 3.440 . 3.440 2.318 2.274 2.384 . 0 0 "[ . 1 . 2]" 1
451 1 26 THR HA 1 32 PHE HZ 4.670 . 4.670 4.304 4.189 4.408 . 0 0 "[ . 1 . 2]" 1
452 1 26 THR HA 1 68 VAL H 4.590 . 4.590 4.240 4.141 4.456 . 0 0 "[ . 1 . 2]" 1
453 1 26 THR HA 1 69 THR H 4.730 . 4.730 4.599 4.544 4.664 . 0 0 "[ . 1 . 2]" 1
454 1 26 THR HA 1 70 PHE H 4.500 . 4.500 3.769 3.665 3.848 . 0 0 "[ . 1 . 2]" 1
455 1 26 THR HB 1 27 LEU H 3.600 . 3.600 2.614 2.355 2.813 . 0 0 "[ . 1 . 2]" 1
456 1 26 THR HB 1 67 VAL HB 3.790 . 3.790 2.222 2.146 2.355 . 0 0 "[ . 1 . 2]" 1
457 1 26 THR HB 1 67 VAL MG1 3.680 . 3.680 3.278 3.076 3.469 . 0 0 "[ . 1 . 2]" 1
458 1 26 THR HB 1 67 VAL QG 3.200 . 3.200 2.950 2.595 3.101 . 0 0 "[ . 1 . 2]" 1
459 1 26 THR HB 1 67 VAL MG2 3.680 . 3.680 3.372 2.760 3.609 . 0 0 "[ . 1 . 2]" 1
460 1 26 THR HB 1 68 VAL H 3.610 . 3.610 3.330 2.996 3.519 . 0 0 "[ . 1 . 2]" 1
461 1 26 THR HB 1 69 THR H 5.390 . 5.390 5.210 4.914 5.399 0.009 2 0 "[ . 1 . 2]" 1
462 1 26 THR HB 1 69 THR MG 5.500 . 5.500 4.802 4.025 5.559 0.059 15 0 "[ . 1 . 2]" 1
463 1 26 THR MG 1 27 LEU H 3.870 . 3.870 3.427 3.249 3.673 . 0 0 "[ . 1 . 2]" 1
464 1 26 THR MG 1 32 PHE HZ 5.300 . 5.300 5.400 5.335 5.503 0.203 13 0 "[ . 1 . 2]" 1
465 1 26 THR MG 1 67 VAL HB 4.080 . 4.080 3.041 2.752 3.341 . 0 0 "[ . 1 . 2]" 1
466 1 26 THR MG 1 67 VAL QG 3.240 . 3.240 2.789 2.476 3.015 . 0 0 "[ . 1 . 2]" 1
467 1 26 THR MG 1 68 VAL H 4.260 . 4.260 3.789 3.551 4.185 . 0 0 "[ . 1 . 2]" 1
468 1 26 THR MG 1 69 THR H 4.000 . 4.000 3.312 3.182 3.595 . 0 0 "[ . 1 . 2]" 1
469 1 26 THR MG 1 69 THR HB 4.660 . 4.660 2.208 1.979 2.427 . 0 0 "[ . 1 . 2]" 1
470 1 26 THR MG 1 70 PHE H 4.310 . 4.310 4.038 3.909 4.126 . 0 0 "[ . 1 . 2]" 1
471 1 26 THR MG 1 71 GLN H 5.500 . 5.500 5.461 5.324 5.549 0.049 4 0 "[ . 1 . 2]" 1
472 1 26 THR MG 1 72 ALA H 5.450 . 5.450 5.519 5.452 5.581 0.131 13 0 "[ . 1 . 2]" 1
473 1 27 LEU H 1 27 LEU HB3 3.980 . 3.980 3.717 3.664 3.769 . 0 0 "[ . 1 . 2]" 1
474 1 27 LEU H 1 27 LEU MD2 4.410 . 4.410 4.157 4.092 4.227 . 0 0 "[ . 1 . 2]" 1
475 1 27 LEU H 1 27 LEU HG 3.910 . 3.910 3.649 3.573 3.747 . 0 0 "[ . 1 . 2]" 1
476 1 27 LEU H 1 28 GLY HA2 4.820 . 4.820 4.806 4.659 4.861 0.041 17 0 "[ . 1 . 2]" 1
477 1 27 LEU H 1 32 PHE HD1 5.330 . 5.330 4.598 4.486 4.739 . 0 0 "[ . 1 . 2]" 1
478 1 27 LEU H 1 67 VAL HA 4.590 . 4.590 4.390 4.264 4.556 . 0 0 "[ . 1 . 2]" 1
479 1 27 LEU H 1 67 VAL HB 4.840 . 4.840 3.612 3.168 3.822 . 0 0 "[ . 1 . 2]" 1
480 1 27 LEU H 1 67 VAL QG 4.730 . 4.730 4.089 3.834 4.281 . 0 0 "[ . 1 . 2]" 1
481 1 27 LEU H 1 68 VAL H 3.470 . 3.470 2.579 2.467 2.659 . 0 0 "[ . 1 . 2]" 1
482 1 27 LEU H 1 68 VAL HA 4.720 . 4.720 4.698 4.633 4.729 0.009 19 0 "[ . 1 . 2]" 1
483 1 27 LEU H 1 68 VAL HB 4.060 . 4.060 3.607 3.493 3.711 . 0 0 "[ . 1 . 2]" 1
484 1 27 LEU H 1 68 VAL MG1 5.070 . 5.070 4.623 4.533 4.726 . 0 0 "[ . 1 . 2]" 1
485 1 27 LEU H 1 68 VAL MG2 4.450 . 4.450 4.439 4.358 4.479 0.029 5 0 "[ . 1 . 2]" 1
486 1 27 LEU HA 1 28 GLY H 3.330 . 3.330 2.517 2.450 2.565 . 0 0 "[ . 1 . 2]" 1
487 1 27 LEU HA 1 32 PHE H 5.500 . 5.500 5.363 5.284 5.414 . 0 0 "[ . 1 . 2]" 1
488 1 27 LEU HA 1 68 VAL H 4.700 . 4.700 4.600 4.539 4.656 . 0 0 "[ . 1 . 2]" 1
489 1 27 LEU HB2 1 28 GLY H 3.780 . 3.780 3.599 3.535 3.691 . 0 0 "[ . 1 . 2]" 1
490 1 27 LEU HB2 1 31 GLU QB 4.230 . 4.230 3.411 3.347 3.469 . 0 0 "[ . 1 . 2]" 1
491 1 27 LEU HB2 1 32 PHE H 3.890 . 3.890 3.579 3.507 3.700 . 0 0 "[ . 1 . 2]" 1
492 1 27 LEU HB2 1 68 VAL H 4.490 . 4.490 4.328 4.284 4.402 . 0 0 "[ . 1 . 2]" 1
493 1 27 LEU HB3 1 28 GLY H 4.670 . 4.670 2.211 2.139 2.294 . 0 0 "[ . 1 . 2]" 1
494 1 27 LEU HB3 1 31 GLU QB 4.050 . 4.050 1.990 1.928 2.053 . 0 0 "[ . 1 . 2]" 1
495 1 27 LEU HB3 1 31 GLU QG 4.660 . 4.660 3.543 3.207 4.015 . 0 0 "[ . 1 . 2]" 1
496 1 27 LEU HB3 1 32 PHE H 3.740 . 3.740 2.961 2.866 3.047 . 0 0 "[ . 1 . 2]" 1
497 1 27 LEU HB3 1 32 PHE HB3 5.500 . 5.500 5.420 5.262 5.517 0.017 11 0 "[ . 1 . 2]" 1
498 1 27 LEU HB3 1 68 VAL HB 5.140 . 5.140 5.098 4.944 5.167 0.027 11 0 "[ . 1 . 2]" 1
499 1 27 LEU MD1 1 28 GLY H 3.980 . 3.980 4.015 3.966 4.061 0.081 11 0 "[ . 1 . 2]" 1
500 1 27 LEU MD1 1 31 GLU HA 4.360 . 4.360 4.153 4.065 4.250 . 0 0 "[ . 1 . 2]" 1
501 1 27 LEU MD1 1 31 GLU QB . . 3.430 2.116 2.050 2.255 . 0 0 "[ . 1 . 2]" 1
502 1 27 LEU MD1 1 31 GLU HG2 4.680 . 4.680 4.387 3.799 4.759 0.079 17 0 "[ . 1 . 2]" 1
503 1 27 LEU MD1 1 31 GLU HG3 4.680 . 4.680 4.207 3.774 4.780 0.100 20 0 "[ . 1 . 2]" 1
504 1 27 LEU MD1 1 32 PHE H 3.570 . 3.570 3.617 3.564 3.666 0.096 1 0 "[ . 1 . 2]" 1
505 1 27 LEU MD1 1 32 PHE HD1 4.610 . 4.610 1.979 1.955 2.005 . 0 0 "[ . 1 . 2]" 1
506 1 27 LEU MD1 1 35 CYS HB2 4.510 . 4.510 3.430 3.371 3.520 . 0 0 "[ . 1 . 2]" 1
507 1 27 LEU MD1 1 35 CYS HB3 4.580 . 4.580 4.328 4.193 4.462 . 0 0 "[ . 1 . 2]" 1
508 1 27 LEU MD2 1 28 GLY H 4.260 . 4.260 2.831 2.697 2.973 . 0 0 "[ . 1 . 2]" 1
509 1 27 LEU MD2 1 32 PHE H 4.990 . 4.990 4.699 4.545 4.815 . 0 0 "[ . 1 . 2]" 1
510 1 27 LEU MD2 1 32 PHE HD1 5.090 . 5.090 4.251 4.185 4.288 . 0 0 "[ . 1 . 2]" 1
511 1 27 LEU HG 1 31 GLU QB 5.010 . 5.010 4.263 4.169 4.359 . 0 0 "[ . 1 . 2]" 1
512 1 27 LEU HG 1 32 PHE H 5.500 . 5.500 5.576 5.539 5.630 0.130 13 0 "[ . 1 . 2]" 1
513 1 27 LEU HG 1 32 PHE HD1 4.770 . 4.770 3.644 3.555 3.760 . 0 0 "[ . 1 . 2]" 1
514 1 28 GLY H 1 29 PRO HD2 4.850 . 4.850 4.695 4.571 4.785 . 0 0 "[ . 1 . 2]" 1
515 1 28 GLY H 1 31 GLU H 4.210 . 4.210 3.806 3.726 3.908 . 0 0 "[ . 1 . 2]" 1
516 1 28 GLY H 1 31 GLU HA 5.400 . 5.400 5.269 5.131 5.410 0.010 13 0 "[ . 1 . 2]" 1
517 1 28 GLY H 1 31 GLU QB 3.580 . 3.580 2.362 2.250 2.521 . 0 0 "[ . 1 . 2]" 1
518 1 28 GLY H 1 31 GLU QG 4.220 . 4.220 2.939 2.373 3.475 . 0 0 "[ . 1 . 2]" 1
519 1 28 GLY H 1 32 PHE H 3.840 . 3.840 3.868 3.842 3.926 0.086 13 0 "[ . 1 . 2]" 1
520 1 28 GLY H 1 32 PHE HB2 4.930 . 4.930 4.953 4.926 4.995 0.065 13 0 "[ . 1 . 2]" 1
521 1 28 GLY H 1 68 VAL H 5.060 . 5.060 4.934 4.835 4.993 . 0 0 "[ . 1 . 2]" 1
522 1 28 GLY HA2 1 29 PRO HG2 5.020 . 5.020 4.895 4.809 4.993 . 0 0 "[ . 1 . 2]" 1
523 1 28 GLY HA3 1 32 PHE H 4.900 . 4.900 4.610 4.530 4.709 . 0 0 "[ . 1 . 2]" 1
524 1 29 PRO HA 1 32 PHE H 4.800 . 4.800 4.050 3.937 4.141 . 0 0 "[ . 1 . 2]" 1
525 1 29 PRO HA 1 32 PHE HB2 4.370 . 4.370 3.549 3.348 3.762 . 0 0 "[ . 1 . 2]" 1
526 1 29 PRO HA 1 53 PHE HZ 4.640 . 4.640 4.626 4.469 4.667 0.027 20 0 "[ . 1 . 2]" 1
527 1 29 PRO HA 1 57 MET HB3 4.740 . 4.740 4.760 4.721 4.800 0.060 13 0 "[ . 1 . 2]" 1
528 1 29 PRO HB2 1 30 GLU H 3.710 . 3.710 3.439 3.307 3.569 . 0 0 "[ . 1 . 2]" 1
529 1 29 PRO HB2 1 30 GLU HA 5.170 . 5.170 4.218 4.153 4.274 . 0 0 "[ . 1 . 2]" 1
530 1 29 PRO HB2 1 53 PHE HE1 4.760 . 4.760 2.343 2.198 2.476 . 0 0 "[ . 1 . 2]" 1
531 1 29 PRO HB2 1 53 PHE HZ 4.470 . 4.470 2.115 2.043 2.213 . 0 0 "[ . 1 . 2]" 1
532 1 29 PRO HB3 1 30 GLU H 4.500 . 4.500 4.215 4.140 4.273 . 0 0 "[ . 1 . 2]" 1
533 1 29 PRO HB3 1 53 PHE HZ 4.600 . 4.600 3.490 3.247 3.620 . 0 0 "[ . 1 . 2]" 1
534 1 29 PRO HB3 1 57 MET HB3 4.080 . 4.080 3.857 3.678 4.036 . 0 0 "[ . 1 . 2]" 1
535 1 29 PRO HD2 1 30 GLU H 3.780 . 3.780 2.795 2.709 2.888 . 0 0 "[ . 1 . 2]" 1
536 1 29 PRO HD2 1 31 GLU H 4.280 . 4.280 4.297 4.266 4.327 0.047 1 0 "[ . 1 . 2]" 1
537 1 29 PRO HD3 1 68 VAL MG2 4.700 . 4.700 4.012 3.793 4.196 . 0 0 "[ . 1 . 2]" 1
538 1 29 PRO HG2 1 30 GLU H 2.970 . 2.970 2.341 2.232 2.444 . 0 0 "[ . 1 . 2]" 1
539 1 29 PRO HG3 1 30 GLU H 4.630 . 4.630 3.931 3.843 4.035 . 0 0 "[ . 1 . 2]" 1
540 1 29 PRO HG3 1 53 PHE HZ 4.590 . 4.590 3.941 3.761 4.098 . 0 0 "[ . 1 . 2]" 1
541 1 29 PRO HG3 1 68 VAL MG2 5.500 . 5.500 5.138 4.845 5.301 . 0 0 "[ . 1 . 2]" 1
542 1 30 GLU H 1 30 GLU HB2 3.170 . 3.170 2.534 2.361 2.635 . 0 0 "[ . 1 . 2]" 1
543 1 30 GLU H 1 30 GLU HB3 3.330 . 3.330 2.552 2.454 2.613 . 0 0 "[ . 1 . 2]" 1
544 1 30 GLU H 1 30 GLU HG2 5.280 . 5.280 4.523 4.436 4.601 . 0 0 "[ . 1 . 2]" 1
545 1 30 GLU H 1 30 GLU QG 4.510 . 4.510 4.003 3.967 4.059 . 0 0 "[ . 1 . 2]" 1
546 1 30 GLU H 1 30 GLU HG3 5.280 . 5.280 4.465 4.420 4.528 . 0 0 "[ . 1 . 2]" 1
547 1 30 GLU H 1 31 GLU H 3.210 . 3.210 2.392 2.261 2.513 . 0 0 "[ . 1 . 2]" 1
548 1 30 GLU H 1 31 GLU HA 5.430 . 5.430 5.068 4.964 5.175 . 0 0 "[ . 1 . 2]" 1
549 1 30 GLU H 1 32 PHE H 4.740 . 4.740 4.356 4.172 4.477 . 0 0 "[ . 1 . 2]" 1
550 1 30 GLU H 1 53 PHE HZ 5.500 . 5.500 5.026 4.637 5.346 . 0 0 "[ . 1 . 2]" 1
551 1 30 GLU HA 1 30 GLU HG2 3.880 . 3.880 3.225 3.030 3.756 . 0 0 "[ . 1 . 2]" 1
552 1 30 GLU HA 1 30 GLU HG3 3.880 . 3.880 2.429 2.304 2.867 . 0 0 "[ . 1 . 2]" 1
553 1 30 GLU HA 1 33 LYS H 3.980 . 3.980 3.347 3.239 3.529 . 0 0 "[ . 1 . 2]" 1
554 1 30 GLU HA 1 33 LYS HB2 4.140 . 4.140 3.445 3.225 3.598 . 0 0 "[ . 1 . 2]" 1
555 1 30 GLU HA 1 33 LYS HB3 4.040 . 4.040 2.290 2.125 2.480 . 0 0 "[ . 1 . 2]" 1
556 1 30 GLU HA 1 33 LYS HE3 4.570 . 4.570 2.826 2.274 3.099 . 0 0 "[ . 1 . 2]" 1
557 1 30 GLU HA 1 33 LYS HG2 4.420 . 4.420 4.118 3.780 4.362 . 0 0 "[ . 1 . 2]" 1
558 1 30 GLU HA 1 34 ALA H 4.730 . 4.730 4.074 3.975 4.182 . 0 0 "[ . 1 . 2]" 1
559 1 30 GLU HB3 1 31 GLU H 3.830 . 3.830 2.717 2.545 2.806 . 0 0 "[ . 1 . 2]" 1
560 1 30 GLU QG 1 34 ALA H 5.010 . 5.010 4.147 3.962 4.405 . 0 0 "[ . 1 . 2]" 1
561 1 31 GLU H 1 31 GLU QB . . 2.950 2.424 2.337 2.566 . 0 0 "[ . 1 . 2]" 1
562 1 31 GLU H 1 31 GLU QG 3.350 . 3.350 2.371 1.984 3.143 . 0 0 "[ . 1 . 2]" 1
563 1 31 GLU H 1 32 PHE H 3.170 . 3.170 2.832 2.742 2.877 . 0 0 "[ . 1 . 2]" 1
564 1 31 GLU H 1 32 PHE HB2 4.670 . 4.670 4.653 4.553 4.704 0.034 17 0 "[ . 1 . 2]" 1
565 1 31 GLU H 1 33 LYS H 4.050 . 4.050 3.846 3.775 3.915 . 0 0 "[ . 1 . 2]" 1
566 1 31 GLU H 1 34 ALA H 5.250 . 5.250 4.782 4.722 4.880 . 0 0 "[ . 1 . 2]" 1
567 1 31 GLU HA 1 31 GLU HG2 3.970 . 3.970 3.176 2.528 3.661 . 0 0 "[ . 1 . 2]" 1
568 1 31 GLU HA 1 31 GLU QG 3.460 . 3.460 2.737 2.399 3.158 . 0 0 "[ . 1 . 2]" 1
569 1 31 GLU HA 1 31 GLU HG3 3.970 . 3.970 3.264 2.432 3.833 . 0 0 "[ . 1 . 2]" 1
570 1 31 GLU HA 1 34 ALA H 3.940 . 3.940 3.551 3.469 3.707 . 0 0 "[ . 1 . 2]" 1
571 1 31 GLU HA 1 34 ALA MB 3.610 . 3.610 3.017 2.928 3.163 . 0 0 "[ . 1 . 2]" 1
572 1 31 GLU QB 1 32 PHE H 3.390 . 3.390 2.240 2.182 2.322 . 0 0 "[ . 1 . 2]" 1
573 1 31 GLU QB 1 32 PHE HA 5.320 . 5.320 3.925 3.876 3.967 . 0 0 "[ . 1 . 2]" 1
574 1 31 GLU QB 1 32 PHE HD1 5.500 . 5.500 3.599 3.508 3.679 . 0 0 "[ . 1 . 2]" 1
575 1 31 GLU QB 1 33 LYS H 4.720 . 4.720 4.427 4.368 4.470 . 0 0 "[ . 1 . 2]" 1
576 1 31 GLU QG 1 32 PHE H 4.240 . 4.240 4.025 3.700 4.275 0.035 12 0 "[ . 1 . 2]" 1
577 1 32 PHE H 1 32 PHE HB2 3.190 . 3.190 2.089 2.052 2.145 . 0 0 "[ . 1 . 2]" 1
578 1 32 PHE H 1 32 PHE HB3 3.410 . 3.410 3.380 3.341 3.410 . 13 0 "[ . 1 . 2]" 1
579 1 32 PHE H 1 32 PHE HD1 4.370 . 4.370 3.173 3.099 3.326 . 0 0 "[ . 1 . 2]" 1
580 1 32 PHE H 1 33 LYS H 3.360 . 3.360 2.832 2.760 2.879 . 0 0 "[ . 1 . 2]" 1
581 1 32 PHE H 1 33 LYS HB2 5.500 . 5.500 5.515 5.501 5.601 0.101 13 0 "[ . 1 . 2]" 1
582 1 32 PHE H 1 34 ALA H 4.530 . 4.530 4.488 4.409 4.530 0.000 1 0 "[ . 1 . 2]" 1
583 1 32 PHE H 1 35 CYS H 4.740 . 4.740 4.698 4.661 4.738 . 0 0 "[ . 1 . 2]" 1
584 1 32 PHE H 1 68 VAL HB 4.940 . 4.940 4.760 4.647 4.946 0.006 13 0 "[ . 1 . 2]" 1
585 1 32 PHE H 1 68 VAL MG2 4.930 . 4.930 4.523 4.397 4.641 . 0 0 "[ . 1 . 2]" 1
586 1 32 PHE HA 1 35 CYS H 3.480 . 3.480 3.113 3.019 3.169 . 0 0 "[ . 1 . 2]" 1
587 1 32 PHE HA 1 35 CYS HB2 4.260 . 4.260 2.596 2.476 2.781 . 0 0 "[ . 1 . 2]" 1
588 1 32 PHE HA 1 35 CYS HB3 4.430 . 4.430 2.275 2.138 2.369 . 0 0 "[ . 1 . 2]" 1
589 1 32 PHE HA 1 36 LEU MD2 5.000 . 5.000 5.077 5.022 5.180 0.180 13 0 "[ . 1 . 2]" 1
590 1 32 PHE HB2 1 68 VAL H 5.460 . 5.460 4.703 4.484 4.866 . 0 0 "[ . 1 . 2]" 1
591 1 32 PHE HB2 1 68 VAL MG1 4.000 . 4.000 3.885 3.731 3.980 . 0 0 "[ . 1 . 2]" 1
592 1 32 PHE HB2 1 68 VAL MG2 3.980 . 3.980 3.184 3.095 3.270 . 0 0 "[ . 1 . 2]" 1
593 1 32 PHE HB3 1 33 LYS H 3.650 . 3.650 3.323 3.255 3.387 . 0 0 "[ . 1 . 2]" 1
594 1 32 PHE HB3 1 68 VAL HB 4.580 . 4.580 3.602 3.461 3.802 . 0 0 "[ . 1 . 2]" 1
595 1 32 PHE HB3 1 68 VAL MG2 3.940 . 3.940 3.514 3.389 3.621 . 0 0 "[ . 1 . 2]" 1
596 1 32 PHE HD2 1 60 VAL MG1 4.940 . 4.940 4.218 4.118 4.333 . 0 0 "[ . 1 . 2]" 1
597 1 32 PHE HD2 1 60 VAL MG2 4.310 . 4.310 4.318 4.186 4.363 0.053 11 0 "[ . 1 . 2]" 1
598 1 32 PHE HD2 1 68 VAL H 5.500 . 5.500 5.504 5.335 5.544 0.044 11 0 "[ . 1 . 2]" 1
599 1 32 PHE HD2 1 68 VAL MG1 3.620 . 3.620 2.054 2.008 2.089 . 0 0 "[ . 1 . 2]" 1
600 1 32 PHE HD2 1 68 VAL MG2 4.160 . 4.160 3.429 3.328 3.559 . 0 0 "[ . 1 . 2]" 1
601 1 32 PHE HD2 1 69 THR H 5.500 . 5.500 5.309 5.244 5.388 . 0 0 "[ . 1 . 2]" 1
602 1 32 PHE HD2 1 72 ALA MB 4.700 . 4.700 4.679 4.604 4.748 0.048 18 0 "[ . 1 . 2]" 1
603 1 32 PHE HD2 1 73 PHE H 4.110 . 4.110 4.159 4.133 4.201 0.091 17 0 "[ . 1 . 2]" 1
604 1 32 PHE HD2 1 73 PHE HA 4.540 . 4.540 4.569 4.541 4.622 0.082 13 0 "[ . 1 . 2]" 1
605 1 32 PHE HD2 1 73 PHE HB3 4.760 . 4.760 2.450 2.408 2.559 . 0 0 "[ . 1 . 2]" 1
606 1 32 PHE HE2 1 72 ALA MB 5.250 . 5.250 3.904 3.828 3.991 . 0 0 "[ . 1 . 2]" 1
607 1 32 PHE HE2 1 73 PHE H 4.290 . 4.290 2.796 2.746 2.840 . 0 0 "[ . 1 . 2]" 1
608 1 32 PHE HE2 1 73 PHE HD2 3.920 . 3.920 1.932 1.902 1.997 . 0 0 "[ . 1 . 2]" 1
609 1 32 PHE HE2 1 74 ILE H 5.000 . 5.000 4.749 4.677 4.813 . 0 0 "[ . 1 . 2]" 1
610 1 32 PHE HZ 1 68 VAL MG1 4.210 . 4.210 4.182 4.127 4.238 0.028 14 0 "[ . 1 . 2]" 1
611 1 32 PHE HZ 1 69 THR H 5.440 . 5.440 5.420 5.349 5.462 0.022 17 0 "[ . 1 . 2]" 1
612 1 32 PHE HZ 1 70 PHE H 3.780 . 3.780 3.111 3.008 3.278 . 0 0 "[ . 1 . 2]" 1
613 1 32 PHE HZ 1 70 PHE HA 4.270 . 4.270 2.140 2.069 2.218 . 0 0 "[ . 1 . 2]" 1
614 1 32 PHE HZ 1 70 PHE HB2 4.830 . 4.830 3.137 3.040 3.269 . 0 0 "[ . 1 . 2]" 1
615 1 32 PHE HZ 1 70 PHE HB3 5.010 . 5.010 4.283 4.181 4.393 . 0 0 "[ . 1 . 2]" 1
616 1 32 PHE HZ 1 71 GLN H 5.500 . 5.500 5.103 5.023 5.169 . 0 0 "[ . 1 . 2]" 1
617 1 33 LYS H 1 33 LYS HB2 3.060 . 3.060 2.821 2.745 2.940 . 0 0 "[ . 1 . 2]" 1
618 1 33 LYS H 1 33 LYS HB3 3.090 . 3.090 2.225 2.149 2.330 . 0 0 "[ . 1 . 2]" 1
619 1 33 LYS H 1 33 LYS HE2 5.500 . 5.500 4.235 4.022 4.558 . 0 0 "[ . 1 . 2]" 1
620 1 33 LYS H 1 33 LYS HE3 5.500 . 5.500 4.957 4.453 5.299 . 0 0 "[ . 1 . 2]" 1
621 1 33 LYS H 1 33 LYS HG2 4.420 . 4.420 4.228 4.106 4.313 . 0 0 "[ . 1 . 2]" 1
622 1 33 LYS H 1 33 LYS HG3 4.520 . 4.520 4.531 4.515 4.547 0.027 13 0 "[ . 1 . 2]" 1
623 1 33 LYS H 1 34 ALA H 3.100 . 3.100 2.669 2.596 2.746 . 0 0 "[ . 1 . 2]" 1
624 1 33 LYS H 1 34 ALA HA 5.500 . 5.500 5.327 5.249 5.390 . 0 0 "[ . 1 . 2]" 1
625 1 33 LYS H 1 35 CYS H 4.250 . 4.250 3.808 3.727 3.880 . 0 0 "[ . 1 . 2]" 1
626 1 33 LYS H 1 36 LEU MD1 5.110 . 5.110 4.643 4.519 4.766 . 0 0 "[ . 1 . 2]" 1
627 1 33 LYS HA 1 33 LYS HD2 5.410 . 5.410 5.024 4.950 5.103 . 0 0 "[ . 1 . 2]" 1
628 1 33 LYS HA 1 33 LYS HG2 3.960 . 3.960 3.535 3.413 3.636 . 0 0 "[ . 1 . 2]" 1
629 1 33 LYS HA 1 33 LYS HG3 4.020 . 4.020 2.758 2.624 2.834 . 0 0 "[ . 1 . 2]" 1
630 1 33 LYS HA 1 34 ALA HA 5.090 . 5.090 4.741 4.712 4.770 . 0 0 "[ . 1 . 2]" 1
631 1 33 LYS HA 1 36 LEU HB2 5.410 . 5.410 3.914 3.725 4.093 . 0 0 "[ . 1 . 2]" 1
632 1 33 LYS HA 1 36 LEU MD1 3.890 . 3.890 2.240 2.154 2.367 . 0 0 "[ . 1 . 2]" 1
633 1 33 LYS HA 1 36 LEU MD2 4.620 . 4.620 4.064 3.905 4.503 . 0 0 "[ . 1 . 2]" 1
634 1 33 LYS HA 1 37 ILE HG13 5.500 . 5.500 5.106 4.982 5.198 . 0 0 "[ . 1 . 2]" 1
635 1 33 LYS HA 1 43 ILE MG 4.220 . 4.220 3.990 3.723 4.125 . 0 0 "[ . 1 . 2]" 1
636 1 33 LYS HB2 1 33 LYS HE2 5.100 . 5.100 2.622 2.410 2.782 . 0 0 "[ . 1 . 2]" 1
637 1 33 LYS HB2 1 33 LYS HE3 5.300 . 5.300 3.694 3.184 3.931 . 0 0 "[ . 1 . 2]" 1
638 1 33 LYS HB2 1 34 ALA H 4.480 . 4.480 4.013 3.959 4.120 . 0 0 "[ . 1 . 2]" 1
639 1 33 LYS HB2 1 36 LEU MD1 4.470 . 4.470 3.778 3.542 4.001 . 0 0 "[ . 1 . 2]" 1
640 1 33 LYS HB2 1 43 ILE MG 4.600 . 4.600 3.768 3.466 3.969 . 0 0 "[ . 1 . 2]" 1
641 1 33 LYS HB3 1 33 LYS HD2 4.120 . 4.120 3.798 3.534 3.899 . 0 0 "[ . 1 . 2]" 1
642 1 33 LYS HB3 1 33 LYS HE3 3.960 . 3.960 2.812 2.317 3.136 . 0 0 "[ . 1 . 2]" 1
643 1 33 LYS HB3 1 34 ALA H 3.080 . 3.080 2.672 2.579 2.830 . 0 0 "[ . 1 . 2]" 1
644 1 33 LYS HB3 1 37 ILE MD 5.500 . 5.500 5.286 5.064 5.455 . 0 0 "[ . 1 . 2]" 1
645 1 33 LYS HB3 1 43 ILE MG 5.500 . 5.500 4.613 4.432 4.817 . 0 0 "[ . 1 . 2]" 1
646 1 33 LYS HD2 1 43 ILE MG 2.960 . 2.960 2.431 2.186 3.212 0.252 8 0 "[ . 1 . 2]" 1
647 1 33 LYS HD2 1 44 GLY H 4.690 . 4.690 4.551 3.514 4.937 0.247 13 0 "[ . 1 . 2]" 1
648 1 33 LYS HD2 1 53 PHE HB2 5.500 . 5.500 3.933 3.646 4.615 . 0 0 "[ . 1 . 2]" 1
649 1 33 LYS HD3 1 45 ASN H 5.500 . 5.500 4.706 3.972 6.154 0.654 11 2 "[ . 1+ . -]" 1
650 1 33 LYS HD3 1 53 PHE HB2 4.720 . 4.720 2.588 2.355 2.988 . 0 0 "[ . 1 . 2]" 1
651 1 33 LYS HE2 1 53 PHE HB2 4.920 . 4.920 4.668 4.146 4.976 0.056 13 0 "[ . 1 . 2]" 1
652 1 33 LYS HE2 1 53 PHE HB3 5.500 . 5.500 5.262 4.627 5.534 0.034 3 0 "[ . 1 . 2]" 1
653 1 33 LYS HE2 1 53 PHE HD1 5.500 . 5.500 3.959 3.415 4.519 . 0 0 "[ . 1 . 2]" 1
654 1 33 LYS HE2 1 53 PHE HD2 5.500 . 5.500 5.248 4.544 5.523 0.023 10 0 "[ . 1 . 2]" 1
655 1 33 LYS HG2 1 34 ALA H 3.790 . 3.790 3.170 3.029 3.261 . 0 0 "[ . 1 . 2]" 1
656 1 33 LYS HG2 1 37 ILE MD 3.840 . 3.840 3.407 3.161 3.616 . 0 0 "[ . 1 . 2]" 1
657 1 33 LYS HG2 1 37 ILE HG13 4.820 . 4.820 4.248 3.951 4.531 . 0 0 "[ . 1 . 2]" 1
658 1 33 LYS HG2 1 43 ILE HB 5.190 . 5.190 4.435 4.150 4.752 . 0 0 "[ . 1 . 2]" 1
659 1 33 LYS HG3 1 34 ALA H 4.230 . 4.230 4.193 3.985 4.248 0.018 18 0 "[ . 1 . 2]" 1
660 1 33 LYS HG3 1 37 ILE H 5.500 . 5.500 5.471 5.166 5.526 0.026 20 0 "[ . 1 . 2]" 1
661 1 33 LYS HG3 1 43 ILE H 5.330 . 5.330 5.243 5.070 5.350 0.020 1 0 "[ . 1 . 2]" 1
662 1 33 LYS HG3 1 43 ILE HB 4.640 . 4.640 3.098 2.718 3.387 . 0 0 "[ . 1 . 2]" 1
663 1 33 LYS HG3 1 43 ILE MG 3.370 . 3.370 2.270 2.127 2.385 . 0 0 "[ . 1 . 2]" 1
664 1 34 ALA H 1 34 ALA MB 2.610 . 2.610 2.233 2.210 2.258 . 0 0 "[ . 1 . 2]" 1
665 1 34 ALA H 1 35 CYS H 3.080 . 3.080 2.495 2.431 2.543 . 0 0 "[ . 1 . 2]" 1
666 1 34 ALA H 1 35 CYS HB2 4.780 . 4.780 4.722 4.632 4.806 0.026 14 0 "[ . 1 . 2]" 1
667 1 34 ALA H 1 35 CYS HB3 4.680 . 4.680 4.682 4.423 4.732 0.052 13 0 "[ . 1 . 2]" 1
668 1 34 ALA H 1 36 LEU H 4.210 . 4.210 4.153 4.063 4.234 0.024 13 0 "[ . 1 . 2]" 1
669 1 34 ALA H 1 36 LEU MD1 4.820 . 4.820 4.927 4.871 5.013 0.193 1 0 "[ . 1 . 2]" 1
670 1 34 ALA H 1 36 LEU HG 5.500 . 5.500 5.110 5.017 5.275 . 0 0 "[ . 1 . 2]" 1
671 1 34 ALA H 1 37 ILE MD 4.390 . 4.390 4.410 4.345 4.456 0.066 17 0 "[ . 1 . 2]" 1
672 1 34 ALA H 1 37 ILE HG13 4.760 . 4.760 4.739 4.674 4.777 0.017 1 0 "[ . 1 . 2]" 1
673 1 34 ALA HA 1 35 CYS HA 5.500 . 5.500 4.838 4.810 4.865 . 0 0 "[ . 1 . 2]" 1
674 1 34 ALA HA 1 36 LEU MD1 4.890 . 4.890 4.922 4.860 5.000 0.110 13 0 "[ . 1 . 2]" 1
675 1 34 ALA HA 1 37 ILE H 3.350 . 3.350 3.100 3.009 3.176 . 0 0 "[ . 1 . 2]" 1
676 1 34 ALA HA 1 37 ILE HA 5.070 . 5.070 5.094 5.053 5.134 0.064 17 0 "[ . 1 . 2]" 1
677 1 34 ALA HA 1 37 ILE HB 3.740 . 3.740 3.258 3.038 3.433 . 0 0 "[ . 1 . 2]" 1
678 1 34 ALA HA 1 37 ILE MD 3.400 . 3.400 2.196 2.121 2.281 . 0 0 "[ . 1 . 2]" 1
679 1 34 ALA HA 1 37 ILE HG13 4.700 . 4.700 2.222 2.174 2.295 . 0 0 "[ . 1 . 2]" 1
680 1 34 ALA HA 1 37 ILE MG 4.260 . 4.260 4.323 4.235 4.395 0.135 9 0 "[ . 1 . 2]" 1
681 1 34 ALA MB 1 35 CYS H 3.030 . 3.030 2.849 2.815 2.922 . 0 0 "[ . 1 . 2]" 1
682 1 34 ALA MB 1 35 CYS HA 4.180 . 4.180 3.981 3.947 4.027 . 0 0 "[ . 1 . 2]" 1
683 1 34 ALA MB 1 36 LEU H 4.710 . 4.710 4.526 4.461 4.601 . 0 0 "[ . 1 . 2]" 1
684 1 34 ALA MB 1 37 ILE H 4.350 . 4.350 4.315 4.283 4.361 0.011 17 0 "[ . 1 . 2]" 1
685 1 35 CYS H 1 35 CYS HB2 3.050 . 3.050 2.467 2.386 2.595 . 0 0 "[ . 1 . 2]" 1
686 1 35 CYS H 1 35 CYS HB3 3.060 . 3.060 2.444 2.251 2.503 . 0 0 "[ . 1 . 2]" 1
687 1 35 CYS H 1 36 LEU H 3.240 . 3.240 2.630 2.597 2.716 . 0 0 "[ . 1 . 2]" 1
688 1 35 CYS H 1 36 LEU MD1 5.000 . 5.000 4.913 4.802 5.043 0.043 1 0 "[ . 1 . 2]" 1
689 1 35 CYS H 1 36 LEU HG 4.140 . 4.140 4.142 4.115 4.164 0.024 1 0 "[ . 1 . 2]" 1
690 1 35 CYS H 1 37 ILE HG13 4.830 . 4.830 4.812 4.709 4.852 0.022 18 0 "[ . 1 . 2]" 1
691 1 35 CYS HA 1 37 ILE H 4.380 . 4.380 4.157 4.065 4.226 . 0 0 "[ . 1 . 2]" 1
692 1 35 CYS HA 1 38 SER H 4.060 . 4.060 3.674 3.504 3.898 . 0 0 "[ . 1 . 2]" 1
693 1 35 CYS HB2 1 36 LEU H 4.320 . 4.320 3.977 3.856 4.110 . 0 0 "[ . 1 . 2]" 1
694 1 35 CYS HB3 1 36 LEU H 3.340 . 3.340 2.765 2.613 2.920 . 0 0 "[ . 1 . 2]" 1
695 1 35 CYS HB3 1 37 ILE H 5.250 . 5.250 5.004 4.871 5.068 . 0 0 "[ . 1 . 2]" 1
696 1 36 LEU H 1 36 LEU MD1 3.410 . 3.410 3.335 3.253 3.398 . 0 0 "[ . 1 . 2]" 1
697 1 36 LEU H 1 36 LEU MD2 3.670 . 3.670 3.401 3.341 3.494 . 0 0 "[ . 1 . 2]" 1
698 1 36 LEU H 1 36 LEU HG 2.970 . 2.970 2.107 2.041 2.168 . 0 0 "[ . 1 . 2]" 1
699 1 36 LEU HA 1 36 LEU MD2 3.900 . 3.900 2.425 2.334 2.486 . 0 0 "[ . 1 . 2]" 1
700 1 36 LEU HA 1 36 LEU HG 3.900 . 3.900 3.174 3.078 3.236 . 0 0 "[ . 1 . 2]" 1
701 1 36 LEU HA 1 39 LEU H 3.630 . 3.630 3.525 3.400 3.627 . 0 0 "[ . 1 . 2]" 1
702 1 36 LEU HA 1 39 LEU HB2 5.030 . 5.030 3.459 3.248 3.652 . 0 0 "[ . 1 . 2]" 1
703 1 36 LEU HA 1 39 LEU HB3 5.400 . 5.400 4.873 4.665 5.029 . 0 0 "[ . 1 . 2]" 1
704 1 36 LEU HA 1 39 LEU HG 3.840 . 3.840 3.037 2.870 3.177 . 0 0 "[ . 1 . 2]" 1
705 1 36 LEU HA 1 41 TYR HD1 4.310 . 4.310 4.012 3.854 4.157 . 0 0 "[ . 1 . 2]" 1
706 1 36 LEU HA 1 41 TYR HE1 5.310 . 5.310 4.574 4.376 4.788 . 0 0 "[ . 1 . 2]" 1
707 1 36 LEU HB2 1 36 LEU MD1 3.650 . 3.650 2.095 2.035 2.138 . 0 0 "[ . 1 . 2]" 1
708 1 36 LEU HB2 1 36 LEU MD2 3.500 . 3.500 3.179 3.129 3.241 . 0 0 "[ . 1 . 2]" 1
709 1 36 LEU HB2 1 37 ILE HG12 5.500 . 5.500 4.141 4.022 4.273 . 0 0 "[ . 1 . 2]" 1
710 1 36 LEU HB2 1 39 LEU H 5.290 . 5.290 5.123 5.042 5.212 . 0 0 "[ . 1 . 2]" 1
711 1 36 LEU HB2 1 40 GLY H 5.500 . 5.500 5.688 5.542 5.825 0.325 6 0 "[ . 1 . 2]" 1
712 1 36 LEU HB2 1 41 TYR H 5.060 . 5.060 4.565 4.424 4.705 . 0 0 "[ . 1 . 2]" 1
713 1 36 LEU HB2 1 41 TYR HB2 4.550 . 4.550 2.588 2.444 2.707 . 0 0 "[ . 1 . 2]" 1
714 1 36 LEU HB2 1 41 TYR HB3 4.660 . 4.660 3.378 3.273 3.465 . 0 0 "[ . 1 . 2]" 1
715 1 36 LEU HB2 1 41 TYR HD1 4.250 . 4.250 4.468 4.259 4.614 0.364 11 0 "[ . 1 . 2]" 1
716 1 36 LEU HB2 1 41 TYR HD2 4.400 . 4.400 4.132 3.946 4.245 . 0 0 "[ . 1 . 2]" 1
717 1 36 LEU HB3 1 36 LEU MD1 3.490 . 3.490 2.500 2.446 2.576 . 0 0 "[ . 1 . 2]" 1
718 1 36 LEU HB3 1 41 TYR HB2 4.740 . 4.740 2.539 2.416 2.702 . 0 0 "[ . 1 . 2]" 1
719 1 36 LEU HB3 1 41 TYR HB3 5.440 . 5.440 3.339 3.233 3.536 . 0 0 "[ . 1 . 2]" 1
720 1 36 LEU MD1 1 37 ILE H 4.050 . 4.050 4.149 4.062 4.280 0.230 13 0 "[ . 1 . 2]" 1
721 1 36 LEU MD1 1 37 ILE HA 5.500 . 5.500 5.227 5.165 5.334 . 0 0 "[ . 1 . 2]" 1
722 1 36 LEU MD1 1 41 TYR H 5.500 . 5.500 5.554 5.491 5.631 0.131 13 0 "[ . 1 . 2]" 1
723 1 36 LEU MD1 1 41 TYR HA 5.500 . 5.500 5.458 5.385 5.580 0.080 13 0 "[ . 1 . 2]" 1
724 1 36 LEU MD1 1 41 TYR HB2 4.870 . 4.870 3.648 3.601 3.745 . 0 0 "[ . 1 . 2]" 1
725 1 36 LEU MD1 1 41 TYR HB3 5.190 . 5.190 3.417 3.339 3.550 . 0 0 "[ . 1 . 2]" 1
726 1 36 LEU MD1 1 41 TYR HD2 4.010 . 4.010 2.804 2.726 2.944 . 0 0 "[ . 1 . 2]" 1
727 1 36 LEU MD1 1 41 TYR HE2 4.240 . 4.240 3.808 3.625 3.994 . 0 0 "[ . 1 . 2]" 1
728 1 36 LEU MD1 1 43 ILE H 5.300 . 5.300 4.710 4.318 5.042 . 0 0 "[ . 1 . 2]" 1
729 1 36 LEU MD1 1 43 ILE HG13 4.750 . 4.750 4.039 3.828 4.170 . 0 0 "[ . 1 . 2]" 1
730 1 36 LEU MD1 1 76 PHE HE1 5.180 . 5.180 4.263 4.011 4.701 . 0 0 "[ . 1 . 2]" 1
731 1 36 LEU MD2 1 37 ILE H 5.140 . 5.140 4.811 4.751 4.873 . 0 0 "[ . 1 . 2]" 1
732 1 36 LEU MD2 1 39 LEU MD1 4.400 . 4.400 2.756 2.508 2.932 . 0 0 "[ . 1 . 2]" 1
733 1 36 LEU MD2 1 41 TYR HB2 5.310 . 5.310 4.436 4.338 4.520 . 0 0 "[ . 1 . 2]" 1
734 1 36 LEU MD2 1 41 TYR HB3 5.500 . 5.500 4.735 4.661 4.812 . 0 0 "[ . 1 . 2]" 1
735 1 36 LEU MD2 1 41 TYR HD2 3.770 . 3.770 3.776 3.710 3.839 0.069 14 0 "[ . 1 . 2]" 1
736 1 36 LEU MD2 1 41 TYR HE2 3.970 . 3.970 3.438 3.299 3.640 . 0 0 "[ . 1 . 2]" 1
737 1 36 LEU MD2 1 76 PHE HE1 4.260 . 4.260 3.143 2.859 3.406 . 0 0 "[ . 1 . 2]" 1
738 1 36 LEU HG 1 41 TYR HD2 5.500 . 5.500 5.519 5.481 5.588 0.088 13 0 "[ . 1 . 2]" 1
739 1 37 ILE H 1 37 ILE HB 2.900 . 2.900 2.606 2.561 2.662 . 0 0 "[ . 1 . 2]" 1
740 1 37 ILE H 1 37 ILE MD 3.810 . 3.810 3.564 3.529 3.609 . 0 0 "[ . 1 . 2]" 1
741 1 37 ILE H 1 37 ILE HG12 3.470 . 3.470 3.235 3.174 3.282 . 0 0 "[ . 1 . 2]" 1
742 1 37 ILE H 1 37 ILE HG13 2.910 . 2.910 1.990 1.946 2.029 . 0 0 "[ . 1 . 2]" 1
743 1 37 ILE H 1 37 ILE MG 3.890 . 3.890 3.802 3.788 3.824 . 0 0 "[ . 1 . 2]" 1
744 1 37 ILE H 1 38 SER H 3.210 . 3.210 2.684 2.646 2.732 . 0 0 "[ . 1 . 2]" 1
745 1 37 ILE H 1 38 SER HA 5.320 . 5.320 5.318 5.280 5.357 0.037 9 0 "[ . 1 . 2]" 1
746 1 37 ILE H 1 39 LEU H 4.140 . 4.140 4.111 4.058 4.155 0.015 6 0 "[ . 1 . 2]" 1
747 1 37 ILE H 1 39 LEU MD1 5.030 . 5.030 5.055 4.998 5.101 0.071 1 0 "[ . 1 . 2]" 1
748 1 37 ILE H 1 40 GLY H 5.150 . 5.150 4.949 4.867 5.040 . 0 0 "[ . 1 . 2]" 1
749 1 37 ILE H 1 41 TYR HB2 4.150 . 4.150 3.617 3.555 3.663 . 0 0 "[ . 1 . 2]" 1
750 1 37 ILE H 1 41 TYR HD1 5.270 . 5.270 5.278 5.201 5.328 0.058 13 0 "[ . 1 . 2]" 1
751 1 37 ILE HA 1 37 ILE MD 4.390 . 4.390 3.852 3.799 3.907 . 0 0 "[ . 1 . 2]" 1
752 1 37 ILE HA 1 37 ILE HG12 4.040 . 4.040 2.513 2.449 2.566 . 0 0 "[ . 1 . 2]" 1
753 1 37 ILE HA 1 37 ILE HG13 4.020 . 4.020 3.055 3.031 3.088 . 0 0 "[ . 1 . 2]" 1
754 1 37 ILE HA 1 37 ILE MG 3.210 . 3.210 2.377 2.348 2.399 . 0 0 "[ . 1 . 2]" 1
755 1 37 ILE HA 1 39 LEU H 4.050 . 4.050 3.721 3.620 3.808 . 0 0 "[ . 1 . 2]" 1
756 1 37 ILE HA 1 41 TYR H 3.070 . 3.070 2.140 2.079 2.231 . 0 0 "[ . 1 . 2]" 1
757 1 37 ILE HA 1 41 TYR HB2 4.240 . 4.240 2.562 2.448 2.666 . 0 0 "[ . 1 . 2]" 1
758 1 37 ILE HB 1 37 ILE MD 3.690 . 3.690 2.405 2.373 2.484 . 0 0 "[ . 1 . 2]" 1
759 1 37 ILE HB 1 38 SER H 3.290 . 3.290 2.852 2.785 2.942 . 0 0 "[ . 1 . 2]" 1
760 1 37 ILE HB 1 39 LEU H 5.000 . 5.000 4.944 4.905 4.991 . 0 0 "[ . 1 . 2]" 1
761 1 37 ILE HB 1 40 GLY H 5.500 . 5.500 5.292 5.223 5.358 . 0 0 "[ . 1 . 2]" 1
762 1 37 ILE MD 1 38 SER H 5.260 . 5.260 4.765 4.683 4.901 . 0 0 "[ . 1 . 2]" 1
763 1 37 ILE MD 1 43 ILE H 3.730 . 3.730 3.815 3.711 3.920 0.190 11 0 "[ . 1 . 2]" 1
764 1 37 ILE MD 1 44 GLY H 3.920 . 3.920 3.904 3.760 3.987 0.067 18 0 "[ . 1 . 2]" 1
765 1 37 ILE HG12 1 37 ILE MG 2.960 . 2.960 2.413 2.349 2.468 . 0 0 "[ . 1 . 2]" 1
766 1 37 ILE HG12 1 41 TYR H 4.420 . 4.420 4.312 4.156 4.428 0.008 9 0 "[ . 1 . 2]" 1
767 1 37 ILE HG12 1 43 ILE H 4.730 . 4.730 2.730 2.594 2.892 . 0 0 "[ . 1 . 2]" 1
768 1 37 ILE HG13 1 41 TYR H 5.500 . 5.500 4.999 4.899 5.105 . 0 0 "[ . 1 . 2]" 1
769 1 37 ILE MG 1 38 SER H 3.600 . 3.600 3.691 3.650 3.731 0.131 1 0 "[ . 1 . 2]" 1
770 1 37 ILE MG 1 39 LEU H 4.680 . 4.680 4.668 4.595 4.710 0.030 9 0 "[ . 1 . 2]" 1
771 1 37 ILE MG 1 40 GLY H 4.150 . 4.150 4.093 4.019 4.168 0.018 16 0 "[ . 1 . 2]" 1
772 1 37 ILE MG 1 41 TYR H 3.680 . 3.680 3.718 3.613 3.785 0.105 10 0 "[ . 1 . 2]" 1
773 1 37 ILE MG 1 42 ASP H 5.500 . 5.500 5.452 5.294 5.536 0.036 12 0 "[ . 1 . 2]" 1
774 1 37 ILE MG 1 43 ILE H 4.440 . 4.440 4.066 3.806 4.361 . 0 0 "[ . 1 . 2]" 1
775 1 38 SER H 1 38 SER QB 2.630 . 2.630 2.426 2.026 2.717 0.087 5 0 "[ . 1 . 2]" 1
776 1 38 SER H 1 39 LEU H 3.110 . 3.110 2.667 2.615 2.692 . 0 0 "[ . 1 . 2]" 1
777 1 38 SER H 1 39 LEU HA 5.290 . 5.290 5.310 5.283 5.323 0.033 1 0 "[ . 1 . 2]" 1
778 1 38 SER H 1 39 LEU HG 4.450 . 4.450 4.022 3.910 4.091 . 0 0 "[ . 1 . 2]" 1
779 1 38 SER HA 1 39 LEU MD2 5.290 . 5.290 5.320 5.260 5.350 0.060 20 0 "[ . 1 . 2]" 1
780 1 38 SER QB 1 39 LEU H 4.270 . 4.270 3.192 2.921 3.716 . 0 0 "[ . 1 . 2]" 1
781 1 38 SER QB 1 39 LEU MD2 4.710 . 4.710 3.724 3.338 4.297 . 0 0 "[ . 1 . 2]" 1
782 1 38 SER QB 1 39 LEU HG 4.830 . 4.830 3.366 2.898 4.394 . 0 0 "[ . 1 . 2]" 1
783 1 38 SER HB2 1 39 LEU HG 5.500 . 5.500 3.943 2.929 4.875 . 0 0 "[ . 1 . 2]" 1
784 1 38 SER HB3 1 39 LEU HG 5.500 . 5.500 4.220 3.094 4.994 . 0 0 "[ . 1 . 2]" 1
785 1 39 LEU H 1 39 LEU HB2 2.950 . 2.950 2.527 2.466 2.595 . 0 0 "[ . 1 . 2]" 1
786 1 39 LEU H 1 39 LEU MD1 4.310 . 4.310 3.445 3.399 3.489 . 0 0 "[ . 1 . 2]" 1
787 1 39 LEU H 1 39 LEU MD2 4.030 . 4.030 3.636 3.531 3.716 . 0 0 "[ . 1 . 2]" 1
788 1 39 LEU H 1 39 LEU HG 3.070 . 3.070 2.365 2.287 2.462 . 0 0 "[ . 1 . 2]" 1
789 1 39 LEU H 1 40 GLY H 3.090 . 3.090 2.190 2.132 2.249 . 0 0 "[ . 1 . 2]" 1
790 1 39 LEU H 1 41 TYR H 3.710 . 3.710 3.502 3.378 3.609 . 0 0 "[ . 1 . 2]" 1
791 1 39 LEU H 1 41 TYR HB2 4.520 . 4.520 4.495 4.434 4.540 0.020 10 0 "[ . 1 . 2]" 1
792 1 39 LEU H 1 41 TYR HD1 3.900 . 3.900 3.586 3.515 3.657 . 0 0 "[ . 1 . 2]" 1
793 1 39 LEU H 1 41 TYR HE1 5.210 . 5.210 4.950 4.860 5.067 . 0 0 "[ . 1 . 2]" 1
794 1 39 LEU HA 1 39 LEU MD1 4.460 . 4.460 3.947 3.923 3.984 . 0 0 "[ . 1 . 2]" 1
795 1 39 LEU HA 1 39 LEU MD2 3.160 . 3.160 2.353 2.298 2.408 . 0 0 "[ . 1 . 2]" 1
796 1 39 LEU HA 1 41 TYR H 5.420 . 5.420 5.300 5.169 5.402 . 0 0 "[ . 1 . 2]" 1
797 1 39 LEU HA 1 41 TYR HD1 4.950 . 4.950 4.761 4.679 4.895 . 0 0 "[ . 1 . 2]" 1
798 1 39 LEU HA 1 41 TYR HE1 5.480 . 5.480 5.103 4.947 5.319 . 0 0 "[ . 1 . 2]" 1
799 1 39 LEU HB2 1 40 GLY H 3.560 . 3.560 3.070 2.927 3.217 . 0 0 "[ . 1 . 2]" 1
800 1 39 LEU HB2 1 40 GLY HA3 5.500 . 5.500 4.569 4.489 4.625 . 0 0 "[ . 1 . 2]" 1
801 1 39 LEU HB2 1 41 TYR HD1 4.240 . 4.240 2.219 2.165 2.276 . 0 0 "[ . 1 . 2]" 1
802 1 39 LEU HB3 1 39 LEU MD2 3.110 . 3.110 2.322 2.278 2.366 . 0 0 "[ . 1 . 2]" 1
803 1 39 LEU HB3 1 40 GLY HA3 5.500 . 5.500 4.845 4.800 4.932 . 0 0 "[ . 1 . 2]" 1
804 1 39 LEU HB3 1 41 TYR HD1 4.860 . 4.860 3.621 3.510 3.688 . 0 0 "[ . 1 . 2]" 1
805 1 39 LEU MD1 1 41 TYR HD1 3.420 . 3.420 3.382 3.279 3.491 0.071 9 0 "[ . 1 . 2]" 1
806 1 39 LEU MD1 1 41 TYR HE1 3.570 . 3.570 2.621 2.518 2.788 . 0 0 "[ . 1 . 2]" 1
807 1 39 LEU HG 1 40 GLY H 4.290 . 4.290 4.295 4.217 4.332 0.042 11 0 "[ . 1 . 2]" 1
808 1 39 LEU HG 1 41 TYR HD1 4.520 . 4.520 4.487 4.412 4.546 0.026 19 0 "[ . 1 . 2]" 1
809 1 39 LEU HG 1 41 TYR HE1 4.660 . 4.660 4.656 4.594 4.754 0.094 13 0 "[ . 1 . 2]" 1
810 1 40 GLY H 1 40 GLY HA2 2.890 . 2.890 2.464 2.429 2.509 . 0 0 "[ . 1 . 2]" 1
811 1 40 GLY H 1 41 TYR H 2.950 . 2.950 2.048 1.973 2.185 . 0 0 "[ . 1 . 2]" 1
812 1 40 GLY H 1 41 TYR HB2 3.990 . 3.990 4.022 3.992 4.067 0.077 9 0 "[ . 1 . 2]" 1
813 1 40 GLY H 1 41 TYR HD1 3.930 . 3.930 2.996 2.919 3.083 . 0 0 "[ . 1 . 2]" 1
814 1 40 GLY H 1 41 TYR HE1 4.960 . 4.960 4.945 4.872 5.058 0.098 13 0 "[ . 1 . 2]" 1
815 1 40 GLY HA2 1 41 TYR H 3.460 . 3.460 2.959 2.862 3.091 . 0 0 "[ . 1 . 2]" 1
816 1 40 GLY HA3 1 41 TYR HD1 4.530 . 4.530 3.986 3.889 4.087 . 0 0 "[ . 1 . 2]" 1
817 1 41 TYR H 1 41 TYR HB2 2.890 . 2.890 2.319 2.291 2.394 . 0 0 "[ . 1 . 2]" 1
818 1 41 TYR H 1 41 TYR HB3 4.090 . 4.090 3.588 3.562 3.656 . 0 0 "[ . 1 . 2]" 1
819 1 41 TYR H 1 41 TYR HD1 2.950 . 2.950 2.425 2.252 2.557 . 0 0 "[ . 1 . 2]" 1
820 1 41 TYR H 1 41 TYR HE1 5.200 . 5.200 4.884 4.705 5.028 . 0 0 "[ . 1 . 2]" 1
821 1 41 TYR H 1 42 ASP H 4.450 . 4.450 4.490 4.460 4.542 0.092 11 0 "[ . 1 . 2]" 1
822 1 41 TYR H 1 43 ILE H 4.950 . 4.950 4.672 4.507 4.831 . 0 0 "[ . 1 . 2]" 1
823 1 41 TYR HA 1 41 TYR HD1 3.500 . 3.500 3.369 3.326 3.417 . 0 0 "[ . 1 . 2]" 1
824 1 41 TYR HA 1 41 TYR HE1 5.210 . 5.210 5.193 5.125 5.234 0.024 14 0 "[ . 1 . 2]" 1
825 1 41 TYR HA 1 42 ASP H 2.870 . 2.870 2.188 2.138 2.256 . 0 0 "[ . 1 . 2]" 1
826 1 41 TYR HA 1 42 ASP QB 4.840 . 4.840 4.139 3.907 4.403 . 0 0 "[ . 1 . 2]" 1
827 1 41 TYR HB2 1 41 TYR HE1 5.040 . 5.040 4.919 4.878 4.965 . 0 0 "[ . 1 . 2]" 1
828 1 41 TYR HB2 1 42 ASP H 4.890 . 4.890 4.182 3.969 4.315 . 0 0 "[ . 1 . 2]" 1
829 1 41 TYR HB2 1 43 ILE HG13 4.720 . 4.720 4.068 3.709 4.382 . 0 0 "[ . 1 . 2]" 1
830 1 41 TYR HB3 1 41 TYR HD2 2.910 . 2.910 2.341 2.320 2.364 . 0 0 "[ . 1 . 2]" 1
831 1 41 TYR HB3 1 41 TYR HE2 4.860 . 4.860 4.700 4.668 4.727 . 0 0 "[ . 1 . 2]" 1
832 1 41 TYR HB3 1 43 ILE HB 5.140 . 5.140 3.124 2.878 3.628 . 0 0 "[ . 1 . 2]" 1
833 1 41 TYR HB3 1 43 ILE MD 3.500 . 3.500 2.795 2.566 3.079 . 0 0 "[ . 1 . 2]" 1
834 1 41 TYR HB3 1 43 ILE HG12 4.710 . 4.710 4.142 3.895 4.392 . 0 0 "[ . 1 . 2]" 1
835 1 41 TYR HB3 1 43 ILE HG13 3.970 . 3.970 2.444 2.185 2.720 . 0 0 "[ . 1 . 2]" 1
836 1 41 TYR HD2 1 43 ILE MD 3.210 . 3.210 2.129 2.002 2.247 . 0 0 "[ . 1 . 2]" 1
837 1 41 TYR HD2 1 43 ILE HG12 5.180 . 5.180 4.485 4.256 4.658 . 0 0 "[ . 1 . 2]" 1
838 1 41 TYR HE2 1 43 ILE MD 4.140 . 4.140 3.718 3.423 3.949 . 0 0 "[ . 1 . 2]" 1
839 1 42 ASP H 1 42 ASP HB2 3.690 . 3.690 2.732 2.275 3.700 0.010 11 0 "[ . 1 . 2]" 1
840 1 42 ASP H 1 42 ASP QB 3.010 . 3.010 2.398 2.193 2.782 . 0 0 "[ . 1 . 2]" 1
841 1 42 ASP H 1 42 ASP HB3 3.690 . 3.690 2.919 2.613 3.621 . 0 0 "[ . 1 . 2]" 1
842 1 42 ASP H 1 43 ILE H 3.770 . 3.770 3.249 2.806 3.521 . 0 0 "[ . 1 . 2]" 1
843 1 42 ASP H 1 43 ILE HB 5.500 . 5.500 5.061 4.806 5.359 . 0 0 "[ . 1 . 2]" 1
844 1 42 ASP H 1 43 ILE MD 4.510 . 4.510 4.381 4.282 4.537 0.027 8 0 "[ . 1 . 2]" 1
845 1 42 ASP H 1 43 ILE HG12 4.920 . 4.920 4.534 4.250 4.764 . 0 0 "[ . 1 . 2]" 1
846 1 42 ASP H 1 43 ILE HG13 4.810 . 4.810 3.166 2.950 3.328 . 0 0 "[ . 1 . 2]" 1
847 1 42 ASP HA 1 43 ILE H 2.920 . 2.920 2.751 2.636 2.891 . 0 0 "[ . 1 . 2]" 1
848 1 42 ASP HA 1 44 GLY H 4.940 . 4.940 4.542 4.101 4.918 . 0 0 "[ . 1 . 2]" 1
849 1 42 ASP QB 1 44 GLY H 5.340 . 5.340 5.084 4.620 5.385 0.045 18 0 "[ . 1 . 2]" 1
850 1 43 ILE H 1 43 ILE HB 2.940 . 2.940 2.723 2.494 2.820 . 0 0 "[ . 1 . 2]" 1
851 1 43 ILE H 1 43 ILE HG12 3.950 . 3.950 3.854 3.556 3.960 0.010 1 0 "[ . 1 . 2]" 1
852 1 43 ILE H 1 43 ILE HG13 3.400 . 3.400 2.697 2.482 2.813 . 0 0 "[ . 1 . 2]" 1
853 1 43 ILE H 1 43 ILE MG 4.070 . 4.070 3.926 3.833 3.972 . 0 0 "[ . 1 . 2]" 1
854 1 43 ILE H 1 44 GLY H 3.980 . 3.980 3.716 3.478 4.024 0.044 20 0 "[ . 1 . 2]" 1
855 1 43 ILE H 1 44 GLY HA2 5.280 . 5.280 4.856 4.447 5.171 . 0 0 "[ . 1 . 2]" 1
856 1 43 ILE HA 1 43 ILE HG12 4.070 . 4.070 2.634 2.570 2.684 . 0 0 "[ . 1 . 2]" 1
857 1 43 ILE HA 1 43 ILE HG13 4.060 . 4.060 3.134 3.066 3.236 . 0 0 "[ . 1 . 2]" 1
858 1 43 ILE HA 1 43 ILE MG 3.160 . 3.160 2.407 2.322 2.513 . 0 0 "[ . 1 . 2]" 1
859 1 43 ILE HA 1 44 GLY H 2.730 . 2.730 2.285 2.081 2.389 . 0 0 "[ . 1 . 2]" 1
860 1 43 ILE HB 1 43 ILE MD 3.100 . 3.100 2.437 2.405 2.480 . 0 0 "[ . 1 . 2]" 1
861 1 43 ILE HB 1 44 GLY H 4.480 . 4.480 4.492 4.396 4.545 0.065 17 0 "[ . 1 . 2]" 1
862 1 43 ILE MD 1 52 GLU HB2 3.790 . 3.790 3.835 3.771 3.890 0.100 10 0 "[ . 1 . 2]" 1
863 1 43 ILE MD 1 52 GLU HG2 3.980 . 3.980 3.561 3.439 3.718 . 0 0 "[ . 1 . 2]" 1
864 1 43 ILE MD 1 52 GLU HG3 3.640 . 3.640 2.276 2.163 2.358 . 0 0 "[ . 1 . 2]" 1
865 1 43 ILE HG12 1 43 ILE MG 3.540 . 3.540 2.292 2.249 2.368 . 0 0 "[ . 1 . 2]" 1
866 1 43 ILE HG12 1 49 GLY H 5.500 . 5.500 5.195 4.968 5.511 0.011 18 0 "[ . 1 . 2]" 1
867 1 43 ILE HG12 1 52 GLU H 5.480 . 5.480 5.103 4.951 5.295 . 0 0 "[ . 1 . 2]" 1
868 1 43 ILE HG12 1 52 GLU HB2 5.000 . 5.000 5.008 4.844 5.062 0.062 1 0 "[ . 1 . 2]" 1
869 1 43 ILE HG12 1 52 GLU HG2 4.100 . 4.100 3.235 3.068 3.456 . 0 0 "[ . 1 . 2]" 1
870 1 43 ILE HG12 1 52 GLU HG3 4.730 . 4.730 2.908 2.707 2.973 . 0 0 "[ . 1 . 2]" 1
871 1 43 ILE HG12 1 53 PHE H 5.480 . 5.480 5.042 4.860 5.242 . 0 0 "[ . 1 . 2]" 1
872 1 43 ILE HG13 1 43 ILE MG 3.410 . 3.410 3.211 3.192 3.236 . 0 0 "[ . 1 . 2]" 1
873 1 43 ILE HG13 1 44 GLY H 5.340 . 5.340 5.105 5.033 5.177 . 0 0 "[ . 1 . 2]" 1
874 1 43 ILE HG13 1 52 GLU HG3 4.460 . 4.460 4.372 4.175 4.473 0.013 18 0 "[ . 1 . 2]" 1
875 1 43 ILE MG 1 44 GLY H 3.920 . 3.920 3.629 3.228 3.856 . 0 0 "[ . 1 . 2]" 1
876 1 43 ILE MG 1 49 GLY H 4.420 . 4.420 4.518 4.436 4.632 0.212 11 0 "[ . 1 . 2]" 1
877 1 43 ILE MG 1 49 GLY HA2 3.960 . 3.960 2.585 2.419 2.843 . 0 0 "[ . 1 . 2]" 1
878 1 43 ILE MG 1 49 GLY HA3 4.720 . 4.720 2.608 2.514 2.797 . 0 0 "[ . 1 . 2]" 1
879 1 43 ILE MG 1 50 GLU H 4.140 . 4.140 4.086 3.918 4.239 0.099 20 0 "[ . 1 . 2]" 1
880 1 43 ILE MG 1 50 GLU HA 4.330 . 4.330 3.784 3.527 3.944 . 0 0 "[ . 1 . 2]" 1
881 1 43 ILE MG 1 51 ALA H 5.230 . 5.230 5.126 4.994 5.208 . 0 0 "[ . 1 . 2]" 1
882 1 43 ILE MG 1 52 GLU H 4.390 . 4.390 4.206 4.093 4.359 . 0 0 "[ . 1 . 2]" 1
883 1 43 ILE MG 1 52 GLU HB2 5.500 . 5.500 4.941 4.679 5.108 . 0 0 "[ . 1 . 2]" 1
884 1 43 ILE MG 1 52 GLU HG2 4.040 . 4.040 3.325 3.080 3.540 . 0 0 "[ . 1 . 2]" 1
885 1 43 ILE MG 1 52 GLU HG3 3.760 . 3.760 2.880 2.647 3.072 . 0 0 "[ . 1 . 2]" 1
886 1 43 ILE MG 1 53 PHE H 3.830 . 3.830 3.363 3.222 3.546 . 0 0 "[ . 1 . 2]" 1
887 1 43 ILE MG 1 53 PHE HB2 3.430 . 3.430 2.268 2.127 2.376 . 0 0 "[ . 1 . 2]" 1
888 1 43 ILE MG 1 53 PHE HD1 4.040 . 4.040 3.774 3.629 3.880 . 0 0 "[ . 1 . 2]" 1
889 1 44 GLY H 1 45 ASN H 4.130 . 4.130 3.406 2.927 4.119 . 0 0 "[ . 1 . 2]" 1
890 1 44 GLY H 1 45 ASN HA 5.460 . 5.460 5.034 4.822 5.480 0.020 2 0 "[ . 1 . 2]" 1
891 1 44 GLY H 1 46 ASP H 3.560 . 3.560 2.827 2.533 3.459 . 0 0 "[ . 1 . 2]" 1
892 1 44 GLY H 1 46 ASP QB 4.920 . 4.920 3.261 2.889 3.897 . 0 0 "[ . 1 . 2]" 1
893 1 44 GLY H 1 49 GLY H 4.600 . 4.600 4.460 3.949 4.648 0.048 7 0 "[ . 1 . 2]" 1
894 1 45 ASN H 1 46 ASP QB 4.920 . 4.920 4.640 4.367 4.956 0.036 2 0 "[ . 1 . 2]" 1
895 1 45 ASN H 1 50 GLU HG2 5.500 . 5.500 4.118 3.479 5.369 . 0 0 "[ . 1 . 2]" 1
896 1 45 ASN HA 1 46 ASP H 3.080 . 3.080 3.076 2.908 3.185 0.105 11 0 "[ . 1 . 2]" 1
897 1 46 ASP H 1 46 ASP QB 2.880 . 2.880 2.464 2.173 2.887 0.007 2 0 "[ . 1 . 2]" 1
898 1 46 ASP H 1 48 GLN H 5.370 . 5.370 5.040 4.578 5.346 . 0 0 "[ . 1 . 2]" 1
899 1 46 ASP H 1 49 GLY H 4.460 . 4.460 3.993 3.656 4.424 . 0 0 "[ . 1 . 2]" 1
900 1 46 ASP H 1 49 GLY HA3 4.130 . 4.130 3.707 3.299 4.154 0.024 11 0 "[ . 1 . 2]" 1
901 1 46 ASP H 1 50 GLU HG2 4.260 . 4.260 3.974 3.542 4.404 0.144 11 0 "[ . 1 . 2]" 1
902 1 46 ASP H 1 50 GLU HG3 4.830 . 4.830 4.569 4.064 4.849 0.019 9 0 "[ . 1 . 2]" 1
903 1 46 ASP HA 1 48 GLN H 4.340 . 4.340 4.162 4.047 4.326 . 0 0 "[ . 1 . 2]" 1
904 1 46 ASP QB 1 47 PRO HD2 3.320 . 3.320 2.309 1.983 2.531 . 0 0 "[ . 1 . 2]" 1
905 1 46 ASP QB 1 49 GLY H 4.000 . 4.000 2.408 2.033 3.585 . 0 0 "[ . 1 . 2]" 1
906 1 46 ASP HB2 1 47 PRO HD2 3.840 . 3.840 3.661 1.992 3.940 0.100 1 0 "[ . 1 . 2]" 1
907 1 46 ASP HB2 1 48 GLN H 4.000 . 4.000 3.268 2.847 3.779 . 0 0 "[ . 1 . 2]" 1
908 1 46 ASP HB2 1 49 GLY H 4.580 . 4.580 2.494 2.062 3.848 . 0 0 "[ . 1 . 2]" 1
909 1 46 ASP HB3 1 47 PRO HD2 3.840 . 3.840 2.490 2.183 3.612 . 0 0 "[ . 1 . 2]" 1
910 1 46 ASP HB3 1 48 GLN H 4.000 . 4.000 2.990 2.680 4.171 0.171 10 0 "[ . 1 . 2]" 1
911 1 46 ASP HB3 1 49 GLY H 4.580 . 4.580 3.330 2.962 4.279 . 0 0 "[ . 1 . 2]" 1
912 1 47 PRO HA 1 48 GLN HE22 5.500 . 5.500 5.494 5.399 5.527 0.027 4 0 "[ . 1 . 2]" 1
913 1 47 PRO HA 1 50 GLU H 4.420 . 4.420 3.410 3.203 3.704 . 0 0 "[ . 1 . 2]" 1
914 1 47 PRO HA 1 51 ALA H 4.740 . 4.740 4.194 4.014 4.288 . 0 0 "[ . 1 . 2]" 1
915 1 47 PRO HB2 1 48 GLN H 3.650 . 3.650 3.650 3.546 3.711 0.061 10 0 "[ . 1 . 2]" 1
916 1 47 PRO HB2 1 48 GLN HE22 5.470 . 5.470 3.230 3.130 3.315 . 0 0 "[ . 1 . 2]" 1
917 1 47 PRO HB2 1 49 GLY H 5.500 . 5.500 5.513 5.476 5.552 0.052 17 0 "[ . 1 . 2]" 1
918 1 47 PRO HD2 1 48 GLN H 3.450 . 3.450 2.754 2.639 2.918 . 0 0 "[ . 1 . 2]" 1
919 1 47 PRO HD2 1 48 GLN HE21 5.370 . 5.370 3.849 3.803 3.903 . 0 0 "[ . 1 . 2]" 1
920 1 47 PRO HD2 1 48 GLN HE22 5.500 . 5.500 5.532 5.504 5.581 0.081 17 0 "[ . 1 . 2]" 1
921 1 47 PRO HD2 1 48 GLN HG2 4.780 . 4.780 3.508 3.340 3.691 . 0 0 "[ . 1 . 2]" 1
922 1 47 PRO HD2 1 49 GLY H 4.540 . 4.540 4.443 4.271 4.568 0.028 2 0 "[ . 1 . 2]" 1
923 1 47 PRO HD3 1 48 GLN HE21 5.500 . 5.500 4.732 4.668 4.763 . 0 0 "[ . 1 . 2]" 1
924 1 47 PRO HG2 1 48 GLN H 2.810 . 2.810 2.698 2.585 2.834 0.024 10 0 "[ . 1 . 2]" 1
925 1 47 PRO HG2 1 48 GLN HE21 5.080 . 5.080 1.864 1.779 1.947 . 0 0 "[ . 1 . 2]" 1
926 1 47 PRO HG2 1 48 GLN HE22 4.930 . 4.930 3.365 3.324 3.418 . 0 0 "[ . 1 . 2]" 1
927 1 47 PRO HG2 1 48 GLN HG2 3.610 . 3.610 2.738 2.576 2.900 . 0 0 "[ . 1 . 2]" 1
928 1 48 GLN H 1 48 GLN HB2 2.990 . 2.990 2.595 2.566 2.660 . 0 0 "[ . 1 . 2]" 1
929 1 48 GLN H 1 48 GLN HB3 3.820 . 3.820 3.662 3.627 3.758 . 0 0 "[ . 1 . 2]" 1
930 1 48 GLN H 1 48 GLN HE21 5.240 . 5.240 2.722 2.578 3.033 . 0 0 "[ . 1 . 2]" 1
931 1 48 GLN H 1 48 GLN HE22 4.870 . 4.870 4.337 4.211 4.625 . 0 0 "[ . 1 . 2]" 1
932 1 48 GLN H 1 48 GLN HG2 3.140 . 3.140 2.290 2.191 2.429 . 0 0 "[ . 1 . 2]" 1
933 1 48 GLN H 1 48 GLN HG3 4.670 . 4.670 3.772 3.690 3.887 . 0 0 "[ . 1 . 2]" 1
934 1 48 GLN H 1 49 GLY H 3.050 . 3.050 2.289 2.158 2.362 . 0 0 "[ . 1 . 2]" 1
935 1 48 GLN H 1 49 GLY HA2 5.240 . 5.240 4.980 4.919 5.025 . 0 0 "[ . 1 . 2]" 1
936 1 48 GLN H 1 51 ALA H 5.500 . 5.500 4.618 4.544 4.699 . 0 0 "[ . 1 . 2]" 1
937 1 48 GLN H 1 51 ALA MB 5.150 . 5.150 4.800 4.679 4.897 . 0 0 "[ . 1 . 2]" 1
938 1 48 GLN HA 1 48 GLN HE22 5.230 . 5.230 3.425 3.371 3.495 . 0 0 "[ . 1 . 2]" 1
939 1 48 GLN HA 1 48 GLN HG2 3.440 . 3.440 3.340 3.251 3.385 . 0 0 "[ . 1 . 2]" 1
940 1 48 GLN HA 1 48 GLN HG3 3.870 . 3.870 3.800 3.771 3.827 . 0 0 "[ . 1 . 2]" 1
941 1 48 GLN HA 1 49 GLY H 3.540 . 3.540 3.540 3.500 3.572 0.032 13 0 "[ . 1 . 2]" 1
942 1 48 GLN HA 1 51 ALA H 3.930 . 3.930 3.339 3.216 3.461 . 0 0 "[ . 1 . 2]" 1
943 1 48 GLN HA 1 51 ALA MB 3.450 . 3.450 2.654 2.484 2.785 . 0 0 "[ . 1 . 2]" 1
944 1 48 GLN HA 1 52 GLU H 4.720 . 4.720 4.556 4.379 4.768 0.048 13 0 "[ . 1 . 2]" 1
945 1 48 GLN HA 1 52 GLU HG2 5.290 . 5.290 5.140 5.013 5.297 0.007 2 0 "[ . 1 . 2]" 1
946 1 48 GLN HB2 1 49 GLY H 3.060 . 3.060 2.670 2.552 2.730 . 0 0 "[ . 1 . 2]" 1
947 1 48 GLN HB3 1 49 GLY H 4.380 . 4.380 3.852 3.780 3.900 . 0 0 "[ . 1 . 2]" 1
948 1 48 GLN HE21 1 51 ALA H 5.500 . 5.500 5.517 5.489 5.535 0.035 13 0 "[ . 1 . 2]" 1
949 1 48 GLN HE22 1 51 ALA MB 5.500 . 5.500 4.454 4.267 4.666 . 0 0 "[ . 1 . 2]" 1
950 1 48 GLN HG2 1 49 GLY H 4.090 . 4.090 4.053 3.968 4.106 0.016 1 0 "[ . 1 . 2]" 1
951 1 48 GLN HG3 1 49 GLY H 5.150 . 5.150 4.950 4.844 5.002 . 0 0 "[ . 1 . 2]" 1
952 1 49 GLY H 1 49 GLY HA3 2.850 . 2.850 2.293 2.254 2.340 . 0 0 "[ . 1 . 2]" 1
953 1 49 GLY H 1 51 ALA H 4.800 . 4.800 3.998 3.959 4.044 . 0 0 "[ . 1 . 2]" 1
954 1 49 GLY H 1 51 ALA MB 4.710 . 4.710 4.750 4.668 4.799 0.089 5 0 "[ . 1 . 2]" 1
955 1 49 GLY H 1 52 GLU H 5.000 . 5.000 4.942 4.798 5.038 0.038 13 0 "[ . 1 . 2]" 1
956 1 49 GLY H 1 52 GLU HG2 5.310 . 5.310 4.671 4.524 4.874 . 0 0 "[ . 1 . 2]" 1
957 1 49 GLY HA2 1 51 ALA H 4.480 . 4.480 4.223 4.096 4.316 . 0 0 "[ . 1 . 2]" 1
958 1 49 GLY HA2 1 52 GLU H 3.730 . 3.730 3.442 3.319 3.528 . 0 0 "[ . 1 . 2]" 1
959 1 49 GLY HA2 1 52 GLU HB3 4.690 . 4.690 4.610 4.488 4.699 0.009 18 0 "[ . 1 . 2]" 1
960 1 49 GLY HA3 1 50 GLU H 3.010 . 3.010 2.811 2.721 2.858 . 0 0 "[ . 1 . 2]" 1
961 1 50 GLU H 1 50 GLU HB2 2.800 . 2.800 2.372 2.303 2.462 . 0 0 "[ . 1 . 2]" 1
962 1 50 GLU H 1 50 GLU HG2 2.920 . 2.920 2.424 1.686 2.762 . 0 0 "[ . 1 . 2]" 1
963 1 50 GLU H 1 50 GLU HG3 3.020 . 3.020 3.061 2.775 3.141 0.121 13 0 "[ . 1 . 2]" 1
964 1 50 GLU H 1 51 ALA H 2.950 . 2.950 2.725 2.672 2.784 . 0 0 "[ . 1 . 2]" 1
965 1 50 GLU H 1 51 ALA MB 4.690 . 4.690 4.399 4.343 4.474 . 0 0 "[ . 1 . 2]" 1
966 1 50 GLU H 1 52 GLU H 4.350 . 4.350 4.313 4.133 4.369 0.019 18 0 "[ . 1 . 2]" 1
967 1 50 GLU H 1 53 PHE H 4.640 . 4.640 4.597 4.414 4.653 0.013 4 0 "[ . 1 . 2]" 1
968 1 50 GLU HA 1 52 GLU H 5.000 . 5.000 4.266 4.149 4.342 . 0 0 "[ . 1 . 2]" 1
969 1 50 GLU HA 1 53 PHE H 3.420 . 3.420 3.217 3.103 3.325 . 0 0 "[ . 1 . 2]" 1
970 1 50 GLU HA 1 53 PHE HB3 3.620 . 3.620 2.093 2.018 2.143 . 0 0 "[ . 1 . 2]" 1
971 1 50 GLU HA 1 53 PHE HD2 3.330 . 3.330 2.543 2.371 2.706 . 0 0 "[ . 1 . 2]" 1
972 1 50 GLU HB2 1 51 ALA H 2.740 . 2.740 2.728 2.648 2.790 0.050 14 0 "[ . 1 . 2]" 1
973 1 50 GLU HB3 1 53 PHE HB3 4.360 . 4.360 4.371 4.271 4.403 0.043 20 0 "[ . 1 . 2]" 1
974 1 50 GLU HB3 1 53 PHE HD2 4.070 . 4.070 3.532 3.420 3.693 . 0 0 "[ . 1 . 2]" 1
975 1 50 GLU HG2 1 51 ALA H 5.280 . 5.280 4.547 4.139 4.733 . 0 0 "[ . 1 . 2]" 1
976 1 50 GLU HG3 1 51 ALA H 5.200 . 5.200 4.766 4.638 4.926 . 0 0 "[ . 1 . 2]" 1
977 1 51 ALA H 1 51 ALA HA 2.870 . 2.870 2.858 2.840 2.891 0.021 13 0 "[ . 1 . 2]" 1
978 1 51 ALA H 1 51 ALA MB 2.470 . 2.470 2.229 2.206 2.259 . 0 0 "[ . 1 . 2]" 1
979 1 51 ALA H 1 52 GLU H 2.950 . 2.950 2.695 2.624 2.760 . 0 0 "[ . 1 . 2]" 1
980 1 51 ALA H 1 52 GLU HA 5.380 . 5.380 5.328 5.263 5.382 0.002 17 0 "[ . 1 . 2]" 1
981 1 51 ALA H 1 52 GLU HG2 4.800 . 4.800 4.251 4.049 4.468 . 0 0 "[ . 1 . 2]" 1
982 1 51 ALA H 1 53 PHE H 3.990 . 3.990 3.859 3.770 3.924 . 0 0 "[ . 1 . 2]" 1
983 1 51 ALA H 1 53 PHE HB3 4.630 . 4.630 4.652 4.618 4.687 0.057 13 0 "[ . 1 . 2]" 1
984 1 51 ALA H 1 53 PHE HD2 5.500 . 5.500 5.388 5.277 5.488 . 0 0 "[ . 1 . 2]" 1
985 1 51 ALA H 1 54 ALA H 5.010 . 5.010 4.728 4.627 4.811 . 0 0 "[ . 1 . 2]" 1
986 1 51 ALA HA 1 52 GLU H 3.560 . 3.560 3.580 3.545 3.629 0.069 11 0 "[ . 1 . 2]" 1
987 1 51 ALA MB 1 52 GLU H 2.860 . 2.860 2.682 2.510 2.840 . 0 0 "[ . 1 . 2]" 1
988 1 52 GLU H 1 52 GLU HB3 2.890 . 2.890 2.873 2.744 2.987 0.097 10 0 "[ . 1 . 2]" 1
989 1 52 GLU H 1 52 GLU HG2 3.330 . 3.330 2.111 1.976 2.305 . 0 0 "[ . 1 . 2]" 1
990 1 52 GLU H 1 52 GLU HG3 3.430 . 3.430 3.176 2.982 3.332 . 0 0 "[ . 1 . 2]" 1
991 1 52 GLU H 1 53 PHE H 3.090 . 3.090 2.248 2.178 2.326 . 0 0 "[ . 1 . 2]" 1
992 1 52 GLU H 1 53 PHE HB3 4.330 . 4.330 4.039 3.906 4.137 . 0 0 "[ . 1 . 2]" 1
993 1 52 GLU H 1 53 PHE HD2 5.500 . 5.500 5.530 5.417 5.571 0.071 14 0 "[ . 1 . 2]" 1
994 1 52 GLU H 1 55 ARG QG 5.200 . 5.200 4.587 4.387 4.857 . 0 0 "[ . 1 . 2]" 1
995 1 52 GLU HA 1 55 ARG H 3.900 . 3.900 3.225 3.019 3.397 . 0 0 "[ . 1 . 2]" 1
996 1 52 GLU HA 1 55 ARG HB2 5.480 . 5.480 4.537 3.529 5.184 . 0 0 "[ . 1 . 2]" 1
997 1 52 GLU HA 1 55 ARG QD 3.740 . 3.740 3.052 2.240 3.693 . 0 0 "[ . 1 . 2]" 1
998 1 52 GLU HG2 1 53 PHE H 3.870 . 3.870 3.113 2.898 3.382 . 0 0 "[ . 1 . 2]" 1
999 1 52 GLU HG2 1 53 PHE HA 5.500 . 5.500 5.017 4.844 5.214 . 0 0 "[ . 1 . 2]" 1
1000 1 52 GLU HG3 1 53 PHE H 3.210 . 3.210 2.968 2.781 3.202 . 0 0 "[ . 1 . 2]" 1
1001 1 53 PHE H 1 53 PHE HB2 4.000 . 4.000 3.004 2.929 3.102 . 0 0 "[ . 1 . 2]" 1
1002 1 53 PHE H 1 53 PHE HB3 2.810 . 2.810 2.061 1.949 2.117 . 0 0 "[ . 1 . 2]" 1
1003 1 53 PHE H 1 53 PHE HD2 3.840 . 3.840 3.792 3.658 3.868 0.028 4 0 "[ . 1 . 2]" 1
1004 1 53 PHE H 1 54 ALA H 3.050 . 3.050 2.442 2.344 2.558 . 0 0 "[ . 1 . 2]" 1
1005 1 53 PHE H 1 54 ALA HA 5.140 . 5.140 5.098 4.991 5.191 0.051 3 0 "[ . 1 . 2]" 1
1006 1 53 PHE H 1 54 ALA MB 4.110 . 4.110 4.106 4.010 4.196 0.086 3 0 "[ . 1 . 2]" 1
1007 1 53 PHE H 1 55 ARG H 4.060 . 4.060 4.065 3.948 4.170 0.110 11 0 "[ . 1 . 2]" 1
1008 1 53 PHE H 1 55 ARG QG 4.700 . 4.700 4.385 4.205 4.517 . 0 0 "[ . 1 . 2]" 1
1009 1 53 PHE H 1 56 ILE H 5.130 . 5.130 4.751 4.655 4.882 . 0 0 "[ . 1 . 2]" 1
1010 1 53 PHE HA 1 55 ARG H 4.040 . 4.040 3.975 3.792 4.057 0.017 9 0 "[ . 1 . 2]" 1
1011 1 53 PHE HA 1 56 ILE H 3.500 . 3.500 3.108 2.993 3.233 . 0 0 "[ . 1 . 2]" 1
1012 1 53 PHE HA 1 56 ILE HB 4.120 . 4.120 2.270 2.134 2.382 . 0 0 "[ . 1 . 2]" 1
1013 1 53 PHE HA 1 56 ILE MD 3.160 . 3.160 2.155 2.113 2.234 . 0 0 "[ . 1 . 2]" 1
1014 1 53 PHE HA 1 56 ILE MG 4.390 . 4.390 3.705 3.554 3.793 . 0 0 "[ . 1 . 2]" 1
1015 1 53 PHE HB2 1 53 PHE HD1 3.130 . 3.130 2.497 2.439 2.548 . 0 0 "[ . 1 . 2]" 1
1016 1 53 PHE HB2 1 53 PHE HE1 5.290 . 5.290 4.734 4.696 4.768 . 0 0 "[ . 1 . 2]" 1
1017 1 53 PHE HB2 1 54 ALA H 4.410 . 4.410 4.182 4.146 4.250 . 0 0 "[ . 1 . 2]" 1
1018 1 53 PHE HB2 1 56 ILE MD 3.520 . 3.520 3.498 3.407 3.582 0.062 17 0 "[ . 1 . 2]" 1
1019 1 53 PHE HB2 1 57 MET H 5.500 . 5.500 5.490 5.391 5.521 0.021 3 0 "[ . 1 . 2]" 1
1020 1 53 PHE HB3 1 53 PHE HD2 3.650 . 3.650 2.344 2.312 2.408 . 0 0 "[ . 1 . 2]" 1
1021 1 53 PHE HB3 1 54 ALA H 3.390 . 3.390 2.949 2.877 3.047 . 0 0 "[ . 1 . 2]" 1
1022 1 53 PHE HB3 1 54 ALA MB 4.910 . 4.910 4.416 4.364 4.490 . 0 0 "[ . 1 . 2]" 1
1023 1 53 PHE HB3 1 56 ILE HB 5.430 . 5.430 5.075 4.989 5.162 . 0 0 "[ . 1 . 2]" 1
1024 1 53 PHE HD1 1 56 ILE HB 4.470 . 4.470 3.666 3.554 3.751 . 0 0 "[ . 1 . 2]" 1
1025 1 53 PHE HD1 1 56 ILE MD 3.900 . 3.900 3.948 3.905 4.052 0.152 17 0 "[ . 1 . 2]" 1
1026 1 53 PHE HD1 1 57 MET H 4.420 . 4.420 4.373 4.238 4.427 0.007 19 0 "[ . 1 . 2]" 1
1027 1 53 PHE HD1 1 57 MET HG2 5.160 . 5.160 5.050 4.895 5.166 0.006 14 0 "[ . 1 . 2]" 1
1028 1 53 PHE HD2 1 54 ALA H 3.480 . 3.480 2.936 2.837 3.028 . 0 0 "[ . 1 . 2]" 1
1029 1 53 PHE HD2 1 54 ALA HA 4.880 . 4.880 3.507 3.382 3.647 . 0 0 "[ . 1 . 2]" 1
1030 1 53 PHE HD2 1 55 ARG H 5.390 . 5.390 5.422 5.384 5.489 0.099 11 0 "[ . 1 . 2]" 1
1031 1 53 PHE HD2 1 57 MET HG2 5.500 . 5.500 4.839 4.623 5.100 . 0 0 "[ . 1 . 2]" 1
1032 1 53 PHE HZ 1 57 MET HB3 4.580 . 4.580 3.741 3.548 3.981 . 0 0 "[ . 1 . 2]" 1
1033 1 54 ALA H 1 54 ALA MB 2.490 . 2.490 2.211 2.191 2.228 . 0 0 "[ . 1 . 2]" 1
1034 1 54 ALA H 1 55 ARG H 3.250 . 3.250 2.734 2.648 2.786 . 0 0 "[ . 1 . 2]" 1
1035 1 54 ALA H 1 56 ILE MD 5.500 . 5.500 5.166 5.089 5.237 . 0 0 "[ . 1 . 2]" 1
1036 1 54 ALA HA 1 57 MET H 3.990 . 3.990 3.744 3.679 3.841 . 0 0 "[ . 1 . 2]" 1
1037 1 54 ALA HA 1 57 MET ME 4.200 . 4.200 2.812 2.042 4.238 0.038 17 0 "[ . 1 . 2]" 1
1038 1 54 ALA HA 1 57 MET HG2 4.880 . 4.880 2.251 2.137 2.432 . 0 0 "[ . 1 . 2]" 1
1039 1 54 ALA MB 1 55 ARG H 3.070 . 3.070 2.757 2.673 2.816 . 0 0 "[ . 1 . 2]" 1
1040 1 54 ALA MB 1 55 ARG HA 3.910 . 3.910 3.928 3.875 3.983 0.073 1 0 "[ . 1 . 2]" 1
1041 1 54 ALA MB 1 55 ARG QD 5.160 . 5.160 4.616 3.104 5.394 0.234 17 0 "[ . 1 . 2]" 1
1042 1 55 ARG H 1 55 ARG HB2 3.650 . 3.650 3.336 2.658 3.703 0.053 17 0 "[ . 1 . 2]" 1
1043 1 55 ARG H 1 55 ARG HD2 4.670 . 4.670 4.225 3.188 4.708 0.038 9 0 "[ . 1 . 2]" 1
1044 1 55 ARG H 1 55 ARG HD3 4.670 . 4.670 4.200 3.764 4.624 . 0 0 "[ . 1 . 2]" 1
1045 1 55 ARG H 1 55 ARG QG 3.440 . 3.440 1.935 1.750 2.065 . 0 0 "[ . 1 . 2]" 1
1046 1 55 ARG H 1 56 ILE H 3.240 . 3.240 2.284 2.222 2.348 . 0 0 "[ . 1 . 2]" 1
1047 1 55 ARG H 1 56 ILE HA 5.210 . 5.210 5.003 4.954 5.079 . 0 0 "[ . 1 . 2]" 1
1048 1 55 ARG H 1 56 ILE MD 4.900 . 4.900 4.828 4.738 4.916 0.016 14 0 "[ . 1 . 2]" 1
1049 1 55 ARG H 1 56 ILE HG13 4.300 . 4.300 4.259 4.161 4.328 0.028 17 0 "[ . 1 . 2]" 1
1050 1 55 ARG H 1 56 ILE MG 5.500 . 5.500 5.562 5.473 5.629 0.129 13 0 "[ . 1 . 2]" 1
1051 1 55 ARG H 1 57 MET H 4.470 . 4.470 4.185 4.090 4.274 . 0 0 "[ . 1 . 2]" 1
1052 1 55 ARG H 1 57 MET HG2 4.450 . 4.450 4.356 4.175 4.458 0.008 14 0 "[ . 1 . 2]" 1
1053 1 55 ARG HB2 1 56 ILE H 3.930 . 3.930 3.325 2.374 3.986 0.056 17 0 "[ . 1 . 2]" 1
1054 1 55 ARG QD 1 56 ILE H 4.590 . 4.590 4.583 4.399 4.777 0.187 10 0 "[ . 1 . 2]" 1
1055 1 55 ARG QG 1 56 ILE H 4.090 . 4.090 2.857 2.295 3.517 . 0 0 "[ . 1 . 2]" 1
1056 1 56 ILE H 1 56 ILE HB 3.020 . 3.020 2.350 2.288 2.496 . 0 0 "[ . 1 . 2]" 1
1057 1 56 ILE H 1 56 ILE MD 3.550 . 3.550 3.549 3.504 3.606 0.056 11 0 "[ . 1 . 2]" 1
1058 1 56 ILE H 1 56 ILE HG13 3.320 . 3.320 2.515 2.388 2.599 . 0 0 "[ . 1 . 2]" 1
1059 1 56 ILE H 1 56 ILE MG 3.870 . 3.870 3.751 3.705 3.870 0.000 10 0 "[ . 1 . 2]" 1
1060 1 56 ILE H 1 57 MET H 3.300 . 3.300 2.735 2.665 2.901 . 0 0 "[ . 1 . 2]" 1
1061 1 56 ILE H 1 57 MET HG2 3.920 . 3.920 3.975 3.924 4.042 0.122 1 0 "[ . 1 . 2]" 1
1062 1 56 ILE H 1 58 SER H 4.020 . 4.020 3.978 3.914 4.062 0.042 13 0 "[ . 1 . 2]" 1
1063 1 56 ILE HA 1 56 ILE MD 3.870 . 3.870 3.854 3.809 3.887 0.017 1 0 "[ . 1 . 2]" 1
1064 1 56 ILE HA 1 56 ILE MG 3.530 . 3.530 2.539 2.442 2.606 . 0 0 "[ . 1 . 2]" 1
1065 1 56 ILE HA 1 58 SER H 4.740 . 4.740 4.082 3.982 4.230 . 0 0 "[ . 1 . 2]" 1
1066 1 56 ILE HA 1 58 SER QB 5.260 . 5.260 4.960 4.855 5.058 . 0 0 "[ . 1 . 2]" 1
1067 1 56 ILE HA 1 59 ILE H 3.780 . 3.780 3.489 3.407 3.534 . 0 0 "[ . 1 . 2]" 1
1068 1 56 ILE HA 1 59 ILE HB 4.270 . 4.270 3.019 2.874 3.100 . 0 0 "[ . 1 . 2]" 1
1069 1 56 ILE HA 1 59 ILE MD 3.510 . 3.510 2.392 2.162 2.526 . 0 0 "[ . 1 . 2]" 1
1070 1 56 ILE HA 1 59 ILE MG 4.350 . 4.350 4.380 4.283 4.459 0.109 13 0 "[ . 1 . 2]" 1
1071 1 56 ILE HA 1 60 VAL H 4.470 . 4.470 4.149 3.964 4.291 . 0 0 "[ . 1 . 2]" 1
1072 1 56 ILE HA 1 76 PHE HD2 4.520 . 4.520 4.107 3.897 4.355 . 0 0 "[ . 1 . 2]" 1
1073 1 56 ILE HB 1 56 ILE MD 3.360 . 3.360 2.356 2.318 2.398 . 0 0 "[ . 1 . 2]" 1
1074 1 56 ILE HB 1 57 MET H 3.220 . 3.220 2.593 2.538 2.678 . 0 0 "[ . 1 . 2]" 1
1075 1 56 ILE HB 1 57 MET HB3 4.590 . 4.590 4.464 4.379 4.599 0.009 13 0 "[ . 1 . 2]" 1
1076 1 56 ILE MD 1 56 ILE MG 2.930 . 2.930 2.128 2.096 2.168 . 0 0 "[ . 1 . 2]" 1
1077 1 56 ILE HG12 1 56 ILE MG 3.470 . 3.470 2.387 2.360 2.430 . 0 0 "[ . 1 . 2]" 1
1078 1 56 ILE HG12 1 76 PHE HD2 4.490 . 4.490 4.032 3.774 4.212 . 0 0 "[ . 1 . 2]" 1
1079 1 56 ILE HG13 1 57 MET H 4.630 . 4.630 4.522 4.439 4.583 . 0 0 "[ . 1 . 2]" 1
1080 1 56 ILE MG 1 57 MET H 3.540 . 3.540 2.998 2.904 3.114 . 0 0 "[ . 1 . 2]" 1
1081 1 56 ILE MG 1 58 SER H 4.970 . 4.970 4.584 4.499 4.673 . 0 0 "[ . 1 . 2]" 1
1082 1 56 ILE MG 1 59 ILE H 4.220 . 4.220 4.251 4.208 4.323 0.103 1 0 "[ . 1 . 2]" 1
1083 1 56 ILE MG 1 59 ILE MD 4.030 . 4.030 4.007 3.829 4.245 0.215 14 0 "[ . 1 . 2]" 1
1084 1 56 ILE MG 1 60 VAL H 3.950 . 3.950 3.732 3.633 3.817 . 0 0 "[ . 1 . 2]" 1
1085 1 56 ILE MG 1 60 VAL MG1 3.200 . 3.200 2.363 2.240 2.469 . 0 0 "[ . 1 . 2]" 1
1086 1 56 ILE MG 1 60 VAL MG2 3.320 . 3.320 2.763 2.676 2.850 . 0 0 "[ . 1 . 2]" 1
1087 1 56 ILE MG 1 73 PHE HA 5.020 . 5.020 4.054 3.964 4.171 . 0 0 "[ . 1 . 2]" 1
1088 1 56 ILE MG 1 76 PHE HD2 3.180 . 3.180 2.765 2.639 3.011 . 0 0 "[ . 1 . 2]" 1
1089 1 56 ILE MG 1 76 PHE HE2 3.380 . 3.380 2.260 2.171 2.385 . 0 0 "[ . 1 . 2]" 1
1090 1 57 MET H 1 57 MET HB3 2.900 . 2.900 2.598 2.549 2.685 . 0 0 "[ . 1 . 2]" 1
1091 1 57 MET H 1 57 MET ME 5.120 . 5.120 4.547 4.324 4.748 . 0 0 "[ . 1 . 2]" 1
1092 1 57 MET H 1 57 MET HG2 3.120 . 3.120 2.077 2.017 2.140 . 0 0 "[ . 1 . 2]" 1
1093 1 57 MET H 1 57 MET HG3 3.240 . 3.240 3.202 3.058 3.252 0.012 16 0 "[ . 1 . 2]" 1
1094 1 57 MET H 1 58 SER H 3.170 . 3.170 2.709 2.662 2.768 . 0 0 "[ . 1 . 2]" 1
1095 1 57 MET H 1 59 ILE H 4.360 . 4.360 4.162 4.120 4.206 . 0 0 "[ . 1 . 2]" 1
1096 1 57 MET H 1 60 VAL H 5.080 . 5.080 5.010 4.931 5.044 . 0 0 "[ . 1 . 2]" 1
1097 1 57 MET H 1 60 VAL MG2 4.040 . 4.040 4.075 4.043 4.107 0.067 3 0 "[ . 1 . 2]" 1
1098 1 57 MET HA 1 57 MET HG3 4.250 . 4.250 3.738 3.704 3.762 . 0 0 "[ . 1 . 2]" 1
1099 1 57 MET HA 1 59 ILE H 4.330 . 4.330 3.811 3.729 3.914 . 0 0 "[ . 1 . 2]" 1
1100 1 57 MET HA 1 60 VAL MG2 3.040 . 3.040 1.988 1.933 2.069 . 0 0 "[ . 1 . 2]" 1
1101 1 57 MET HB2 1 58 SER H 3.960 . 3.960 3.964 3.912 4.012 0.052 11 0 "[ . 1 . 2]" 1
1102 1 57 MET HB2 1 60 VAL MG2 4.260 . 4.260 3.807 3.693 3.942 . 0 0 "[ . 1 . 2]" 1
1103 1 57 MET HB3 1 60 VAL MG2 4.540 . 4.540 3.945 3.854 4.050 . 0 0 "[ . 1 . 2]" 1
1104 1 57 MET ME 1 57 MET HG3 2.900 . 2.900 2.349 2.206 2.434 . 0 0 "[ . 1 . 2]" 1
1105 1 57 MET ME 1 58 SER H 4.300 . 4.300 4.258 4.120 4.388 0.088 17 0 "[ . 1 . 2]" 1
1106 1 57 MET HG2 1 58 SER H 3.750 . 3.750 2.966 2.855 3.170 . 0 0 "[ . 1 . 2]" 1
1107 1 57 MET HG2 1 59 ILE H 5.480 . 5.480 5.227 5.140 5.375 . 0 0 "[ . 1 . 2]" 1
1108 1 57 MET HG3 1 58 SER H 3.490 . 3.490 2.566 2.444 2.693 . 0 0 "[ . 1 . 2]" 1
1109 1 58 SER H 1 58 SER QB 2.630 . 2.630 2.434 2.400 2.471 . 0 0 "[ . 1 . 2]" 1
1110 1 58 SER H 1 59 ILE H 3.220 . 3.220 2.516 2.405 2.651 . 0 0 "[ . 1 . 2]" 1
1111 1 58 SER H 1 59 ILE HG13 4.510 . 4.510 4.159 4.042 4.389 . 0 0 "[ . 1 . 2]" 1
1112 1 58 SER H 1 60 VAL MG2 4.420 . 4.420 4.266 4.176 4.349 . 0 0 "[ . 1 . 2]" 1
1113 1 59 ILE H 1 59 ILE HB 2.920 . 2.920 2.441 2.400 2.476 . 0 0 "[ . 1 . 2]" 1
1114 1 59 ILE H 1 59 ILE MD 3.730 . 3.730 3.609 3.517 3.678 . 0 0 "[ . 1 . 2]" 1
1115 1 59 ILE H 1 59 ILE HG13 2.810 . 2.810 2.667 2.588 2.761 . 0 0 "[ . 1 . 2]" 1
1116 1 59 ILE H 1 59 ILE MG 3.850 . 3.850 3.813 3.793 3.857 0.007 13 0 "[ . 1 . 2]" 1
1117 1 59 ILE H 1 60 VAL H 3.120 . 3.120 2.250 2.191 2.285 . 0 0 "[ . 1 . 2]" 1
1118 1 59 ILE H 1 60 VAL HA 5.160 . 5.160 4.958 4.912 4.999 . 0 0 "[ . 1 . 2]" 1
1119 1 59 ILE H 1 60 VAL MG1 4.860 . 4.860 3.807 3.702 3.887 . 0 0 "[ . 1 . 2]" 1
1120 1 59 ILE H 1 60 VAL MG2 3.720 . 3.720 3.385 3.325 3.461 . 0 0 "[ . 1 . 2]" 1
1121 1 59 ILE H 1 61 ASP H 3.600 . 3.600 3.436 3.337 3.604 0.004 16 0 "[ . 1 . 2]" 1
1122 1 59 ILE H 1 61 ASP HB3 5.480 . 5.480 5.512 5.483 5.558 0.078 17 0 "[ . 1 . 2]" 1
1123 1 59 ILE HA 1 59 ILE MD 4.060 . 4.060 3.948 3.930 3.974 . 0 0 "[ . 1 . 2]" 1
1124 1 59 ILE HA 1 59 ILE HG12 4.250 . 4.250 2.704 2.673 2.769 . 0 0 "[ . 1 . 2]" 1
1125 1 59 ILE HA 1 59 ILE MG 3.220 . 3.220 2.531 2.487 2.560 . 0 0 "[ . 1 . 2]" 1
1126 1 59 ILE HA 1 61 ASP H 3.870 . 3.870 3.938 3.896 4.005 0.135 13 0 "[ . 1 . 2]" 1
1127 1 59 ILE HB 1 59 ILE MD 3.270 . 3.270 2.328 2.296 2.371 . 0 0 "[ . 1 . 2]" 1
1128 1 59 ILE HB 1 60 VAL H 3.120 . 3.120 2.466 2.355 2.557 . 0 0 "[ . 1 . 2]" 1
1129 1 59 ILE HB 1 60 VAL MG1 4.160 . 4.160 2.928 2.758 3.044 . 0 0 "[ . 1 . 2]" 1
1130 1 59 ILE HB 1 76 PHE HD2 4.690 . 4.690 3.563 3.418 3.752 . 0 0 "[ . 1 . 2]" 1
1131 1 59 ILE MD 1 60 VAL H 4.550 . 4.550 4.353 4.251 4.449 . 0 0 "[ . 1 . 2]" 1
1132 1 59 ILE MD 1 76 PHE HA 5.190 . 5.190 4.145 3.937 4.358 . 0 0 "[ . 1 . 2]" 1
1133 1 59 ILE MD 1 76 PHE HB2 4.750 . 4.750 3.182 2.952 3.493 . 0 0 "[ . 1 . 2]" 1
1134 1 59 ILE MD 1 76 PHE HB3 4.990 . 4.990 3.042 2.763 3.288 . 0 0 "[ . 1 . 2]" 1
1135 1 59 ILE MD 1 76 PHE HD2 4.260 . 4.260 4.060 3.781 4.247 . 0 0 "[ . 1 . 2]" 1
1136 1 59 ILE MG 1 60 VAL H 3.400 . 3.400 3.244 3.162 3.351 . 0 0 "[ . 1 . 2]" 1
1137 1 59 ILE MG 1 60 VAL HA 3.590 . 3.590 3.159 3.078 3.216 . 0 0 "[ . 1 . 2]" 1
1138 1 59 ILE MG 1 60 VAL MG1 3.240 . 3.240 2.947 2.789 3.077 . 0 0 "[ . 1 . 2]" 1
1139 1 59 ILE MG 1 61 ASP H 4.540 . 4.540 4.590 4.546 4.676 0.136 13 0 "[ . 1 . 2]" 1
1140 1 59 ILE MG 1 76 PHE H 4.270 . 4.270 3.899 3.778 4.093 . 0 0 "[ . 1 . 2]" 1
1141 1 59 ILE MG 1 76 PHE HB3 3.600 . 3.600 2.476 2.279 2.712 . 0 0 "[ . 1 . 2]" 1
1142 1 59 ILE MG 1 76 PHE HD2 3.420 . 3.420 3.414 3.232 3.490 0.070 17 0 "[ . 1 . 2]" 1
1143 1 60 VAL H 1 60 VAL MG1 3.490 . 3.490 2.188 2.122 2.249 . 0 0 "[ . 1 . 2]" 1
1144 1 60 VAL H 1 60 VAL MG2 2.820 . 2.820 1.992 1.911 2.072 . 0 0 "[ . 1 . 2]" 1
1145 1 60 VAL H 1 61 ASP H 3.180 . 3.180 2.512 2.456 2.561 . 0 0 "[ . 1 . 2]" 1
1146 1 60 VAL H 1 61 ASP HA 5.310 . 5.310 5.221 5.181 5.276 . 0 0 "[ . 1 . 2]" 1
1147 1 60 VAL H 1 61 ASP HB3 4.950 . 4.950 4.801 4.709 4.915 . 0 0 "[ . 1 . 2]" 1
1148 1 60 VAL H 1 62 PRO HD3 5.000 . 5.000 4.580 4.436 4.721 . 0 0 "[ . 1 . 2]" 1
1149 1 60 VAL H 1 72 ALA MB 5.050 . 5.050 4.722 4.637 4.869 . 0 0 "[ . 1 . 2]" 1
1150 1 60 VAL H 1 76 PHE HB3 5.500 . 5.500 5.201 5.047 5.431 . 0 0 "[ . 1 . 2]" 1
1151 1 60 VAL H 1 76 PHE HD2 4.530 . 4.530 4.158 4.054 4.329 . 0 0 "[ . 1 . 2]" 1
1152 1 60 VAL H 1 76 PHE HE2 5.250 . 5.250 5.196 5.100 5.272 0.022 17 0 "[ . 1 . 2]" 1
1153 1 60 VAL HA 1 60 VAL MG1 3.220 . 3.220 2.318 2.280 2.347 . 0 0 "[ . 1 . 2]" 1
1154 1 60 VAL HA 1 72 ALA MB 4.150 . 4.150 2.480 2.344 2.698 . 0 0 "[ . 1 . 2]" 1
1155 1 60 VAL HB 1 68 VAL MG1 3.830 . 3.830 1.947 1.919 1.982 . 0 0 "[ . 1 . 2]" 1
1156 1 60 VAL HB 1 68 VAL MG2 4.110 . 4.110 3.497 3.434 3.574 . 0 0 "[ . 1 . 2]" 1
1157 1 60 VAL HB 1 69 THR H 4.510 . 4.510 4.114 4.042 4.209 . 0 0 "[ . 1 . 2]" 1
1158 1 60 VAL HB 1 72 ALA MB 3.890 . 3.890 2.073 2.037 2.112 . 0 0 "[ . 1 . 2]" 1
1159 1 60 VAL MG1 1 72 ALA H 5.010 . 5.010 5.078 5.029 5.118 0.108 11 0 "[ . 1 . 2]" 1
1160 1 60 VAL MG1 1 72 ALA HA 4.730 . 4.730 3.918 3.842 3.996 . 0 0 "[ . 1 . 2]" 1
1161 1 60 VAL MG1 1 72 ALA MB 3.480 . 3.480 2.814 2.722 2.899 . 0 0 "[ . 1 . 2]" 1
1162 1 60 VAL MG1 1 73 PHE H 3.880 . 3.880 3.648 3.596 3.710 . 0 0 "[ . 1 . 2]" 1
1163 1 60 VAL MG1 1 73 PHE HA 3.450 . 3.450 2.210 2.139 2.284 . 0 0 "[ . 1 . 2]" 1
1164 1 60 VAL MG1 1 76 PHE H 3.570 . 3.570 3.581 3.495 3.687 0.117 13 0 "[ . 1 . 2]" 1
1165 1 60 VAL MG1 1 76 PHE HB3 3.700 . 3.700 3.498 3.441 3.600 . 0 0 "[ . 1 . 2]" 1
1166 1 60 VAL MG1 1 76 PHE HD2 3.510 . 3.510 2.024 1.983 2.078 . 0 0 "[ . 1 . 2]" 1
1167 1 60 VAL MG1 1 76 PHE HE2 3.570 . 3.570 2.205 2.116 2.283 . 0 0 "[ . 1 . 2]" 1
1168 1 60 VAL MG1 1 76 PHE HZ 5.250 . 5.250 4.284 4.195 4.349 . 0 0 "[ . 1 . 2]" 1
1169 1 60 VAL MG2 1 61 ASP H 3.070 . 3.070 2.658 2.605 2.788 . 0 0 "[ . 1 . 2]" 1
1170 1 60 VAL MG2 1 61 ASP HB2 4.270 . 4.270 2.549 2.435 2.625 . 0 0 "[ . 1 . 2]" 1
1171 1 60 VAL MG2 1 61 ASP HB3 4.160 . 4.160 2.903 2.733 3.317 . 0 0 "[ . 1 . 2]" 1
1172 1 60 VAL MG2 1 68 VAL HB 4.800 . 4.800 4.028 3.997 4.059 . 0 0 "[ . 1 . 2]" 1
1173 1 60 VAL MG2 1 68 VAL MG1 3.330 . 3.330 2.181 2.117 2.228 . 0 0 "[ . 1 . 2]" 1
1174 1 60 VAL MG2 1 68 VAL MG2 3.010 . 3.010 2.042 1.993 2.082 . 0 0 "[ . 1 . 2]" 1
1175 1 60 VAL MG2 1 76 PHE HE2 4.240 . 4.240 3.736 3.558 3.879 . 0 0 "[ . 1 . 2]" 1
1176 1 61 ASP H 1 61 ASP HB2 4.000 . 4.000 3.376 3.244 3.442 . 0 0 "[ . 1 . 2]" 1
1177 1 61 ASP H 1 61 ASP HB3 3.100 . 3.100 2.952 2.885 2.988 . 0 0 "[ . 1 . 2]" 1
1178 1 61 ASP H 1 62 PRO HD2 4.640 . 4.640 3.783 3.667 4.037 . 0 0 "[ . 1 . 2]" 1
1179 1 61 ASP H 1 62 PRO HD3 3.560 . 3.560 2.911 2.831 3.008 . 0 0 "[ . 1 . 2]" 1
1180 1 61 ASP HA 1 62 PRO HD2 3.790 . 3.790 2.402 2.334 2.534 . 0 0 "[ . 1 . 2]" 1
1181 1 61 ASP HA 1 62 PRO HD3 3.670 . 3.670 3.226 3.028 3.353 . 0 0 "[ . 1 . 2]" 1
1182 1 61 ASP HA 1 63 ASN H 3.980 . 3.980 3.051 2.797 3.509 . 0 0 "[ . 1 . 2]" 1
1183 1 61 ASP HA 1 64 ARG H 4.420 . 4.420 3.977 3.830 4.057 . 0 0 "[ . 1 . 2]" 1
1184 1 61 ASP HA 1 65 LEU H 4.990 . 4.990 4.356 4.214 4.409 . 0 0 "[ . 1 . 2]" 1
1185 1 61 ASP HA 1 65 LEU HB2 4.830 . 4.830 4.837 4.288 4.932 0.102 13 0 "[ . 1 . 2]" 1
1186 1 61 ASP HA 1 66 GLY H 5.500 . 5.500 5.466 4.861 5.517 0.017 7 0 "[ . 1 . 2]" 1
1187 1 61 ASP HA 1 67 VAL H 5.500 . 5.500 5.476 4.652 5.559 0.059 17 0 "[ . 1 . 2]" 1
1188 1 61 ASP HB2 1 64 ARG H 5.460 . 5.460 4.862 4.779 5.306 . 0 0 "[ . 1 . 2]" 1
1189 1 61 ASP HB2 1 65 LEU H 5.050 . 5.050 4.423 4.284 4.845 . 0 0 "[ . 1 . 2]" 1
1190 1 61 ASP HB2 1 66 GLY H 4.710 . 4.710 4.367 4.201 4.450 . 0 0 "[ . 1 . 2]" 1
1191 1 61 ASP HB2 1 68 VAL HA 4.520 . 4.520 3.726 3.617 3.814 . 0 0 "[ . 1 . 2]" 1
1192 1 61 ASP HB2 1 68 VAL MG2 4.140 . 4.140 3.107 2.833 3.275 . 0 0 "[ . 1 . 2]" 1
1193 1 61 ASP HB2 1 69 THR H 5.500 . 5.500 5.437 5.294 5.546 0.046 16 0 "[ . 1 . 2]" 1
1194 1 61 ASP HB3 1 64 ARG H 4.700 . 4.700 4.134 3.924 4.572 . 0 0 "[ . 1 . 2]" 1
1195 1 61 ASP HB3 1 65 LEU H 4.530 . 4.530 4.403 4.285 4.595 0.065 16 0 "[ . 1 . 2]" 1
1196 1 61 ASP HB3 1 66 GLY H 4.530 . 4.530 4.211 4.058 4.291 . 0 0 "[ . 1 . 2]" 1
1197 1 61 ASP HB3 1 67 VAL H 4.370 . 4.370 4.450 4.401 4.519 0.149 13 0 "[ . 1 . 2]" 1
1198 1 61 ASP HB3 1 68 VAL MG2 4.580 . 4.580 3.776 3.578 4.019 . 0 0 "[ . 1 . 2]" 1
1199 1 62 PRO HA 1 64 ARG H 3.930 . 3.930 3.650 3.557 3.869 . 0 0 "[ . 1 . 2]" 1
1200 1 62 PRO HB2 1 63 ASN H 3.940 . 3.940 3.851 3.772 3.951 0.011 3 0 "[ . 1 . 2]" 1
1201 1 62 PRO HB2 1 64 ARG H 5.290 . 5.290 5.160 5.050 5.292 0.002 18 0 "[ . 1 . 2]" 1
1202 1 62 PRO HD2 1 63 ASN H 3.840 . 3.840 2.721 2.611 2.823 . 0 0 "[ . 1 . 2]" 1
1203 1 62 PRO HD2 1 64 ARG H 4.970 . 4.970 4.704 4.446 4.844 . 0 0 "[ . 1 . 2]" 1
1204 1 62 PRO HD3 1 63 ASN H 3.970 . 3.970 3.881 3.810 3.950 . 0 0 "[ . 1 . 2]" 1
1205 1 62 PRO HG2 1 63 ASN H 3.550 . 3.550 2.813 2.693 2.974 . 0 0 "[ . 1 . 2]" 1
1206 1 62 PRO HG2 1 63 ASN HD22 5.500 . 5.500 3.562 3.375 3.762 . 0 0 "[ . 1 . 2]" 1
1207 1 62 PRO HG2 1 64 ARG H 5.500 . 5.500 4.948 4.847 5.093 . 0 0 "[ . 1 . 2]" 1
1208 1 63 ASN H 1 63 ASN HB2 3.360 . 3.360 2.946 2.747 3.041 . 0 0 "[ . 1 . 2]" 1
1209 1 63 ASN H 1 63 ASN HB3 3.630 . 3.630 3.576 3.534 3.639 0.009 16 0 "[ . 1 . 2]" 1
1210 1 63 ASN H 1 63 ASN HD21 4.350 . 4.350 2.548 2.411 3.154 . 0 0 "[ . 1 . 2]" 1
1211 1 63 ASN H 1 63 ASN HD22 4.740 . 4.740 3.004 2.879 3.463 . 0 0 "[ . 1 . 2]" 1
1212 1 63 ASN H 1 64 ARG H 3.130 . 3.130 2.335 2.206 2.395 . 0 0 "[ . 1 . 2]" 1
1213 1 63 ASN H 1 64 ARG HA 4.680 . 4.680 4.538 4.457 4.602 . 0 0 "[ . 1 . 2]" 1
1214 1 63 ASN H 1 64 ARG QD 4.990 . 4.990 4.359 3.835 4.711 . 0 0 "[ . 1 . 2]" 1
1215 1 63 ASN H 1 65 LEU H 4.210 . 4.210 3.892 3.687 3.972 . 0 0 "[ . 1 . 2]" 1
1216 1 63 ASN H 1 65 LEU MD1 4.660 . 4.660 4.617 3.813 4.716 0.056 6 0 "[ . 1 . 2]" 1
1217 1 63 ASN H 1 65 LEU MD2 4.750 . 4.750 4.667 1.689 4.864 0.114 13 0 "[ . 1 . 2]" 1
1218 1 63 ASN H 1 65 LEU HG 3.980 . 3.980 3.895 3.836 4.037 0.057 16 0 "[ . 1 . 2]" 1
1219 1 63 ASN HA 1 63 ASN HD21 4.390 . 4.390 4.331 4.267 4.418 0.028 16 0 "[ . 1 . 2]" 1
1220 1 63 ASN HA 1 64 ARG H 3.520 . 3.520 3.358 3.292 3.413 . 0 0 "[ . 1 . 2]" 1
1221 1 63 ASN HA 1 65 LEU H 4.960 . 4.960 4.934 4.851 5.025 0.065 16 0 "[ . 1 . 2]" 1
1222 1 63 ASN HB2 1 64 ARG H 3.990 . 3.990 3.423 3.236 3.547 . 0 0 "[ . 1 . 2]" 1
1223 1 63 ASN HB2 1 65 LEU H 4.730 . 4.730 3.157 2.975 3.733 . 0 0 "[ . 1 . 2]" 1
1224 1 63 ASN HB2 1 65 LEU HB2 4.680 . 4.680 4.365 4.280 4.599 . 0 0 "[ . 1 . 2]" 1
1225 1 63 ASN HB2 1 65 LEU MD1 4.160 . 4.160 3.268 1.878 3.397 . 0 0 "[ . 1 . 2]" 1
1226 1 63 ASN HB2 1 65 LEU MD2 4.020 . 4.020 2.431 2.079 2.561 . 0 0 "[ . 1 . 2]" 1
1227 1 63 ASN HB2 1 65 LEU HG 3.970 . 3.970 2.068 2.006 2.644 . 0 0 "[ . 1 . 2]" 1
1228 1 63 ASN HB3 1 64 ARG H 5.140 . 5.140 4.423 4.322 4.502 . 0 0 "[ . 1 . 2]" 1
1229 1 63 ASN HB3 1 64 ARG HB2 5.500 . 5.500 5.533 5.506 5.587 0.087 13 0 "[ . 1 . 2]" 1
1230 1 63 ASN HB3 1 65 LEU MD1 4.330 . 4.330 4.266 2.689 4.400 0.070 18 0 "[ . 1 . 2]" 1
1231 1 63 ASN HB3 1 65 LEU MD2 3.920 . 3.920 3.194 3.106 3.463 . 0 0 "[ . 1 . 2]" 1
1232 1 63 ASN HB3 1 65 LEU HG 4.070 . 4.070 3.725 3.632 4.174 0.104 16 0 "[ . 1 . 2]" 1
1233 1 63 ASN HD21 1 64 ARG H 4.910 . 4.910 3.781 3.512 4.405 . 0 0 "[ . 1 . 2]" 1
1234 1 63 ASN HD21 1 65 LEU HB2 4.550 . 4.550 3.849 3.710 4.309 . 0 0 "[ . 1 . 2]" 1
1235 1 63 ASN HD21 1 65 LEU MD1 4.460 . 4.460 2.581 2.412 2.710 . 0 0 "[ . 1 . 2]" 1
1236 1 63 ASN HD21 1 65 LEU MD2 4.620 . 4.620 3.315 2.016 3.507 . 0 0 "[ . 1 . 2]" 1
1237 1 63 ASN HD21 1 65 LEU HG 4.570 . 4.570 2.037 1.951 2.147 . 0 0 "[ . 1 . 2]" 1
1238 1 63 ASN HD22 1 65 LEU HB2 5.480 . 5.480 5.365 5.178 5.568 0.088 16 0 "[ . 1 . 2]" 1
1239 1 63 ASN HD22 1 65 LEU MD1 4.900 . 4.900 3.296 3.118 4.178 . 0 0 "[ . 1 . 2]" 1
1240 1 63 ASN HD22 1 65 LEU MD2 5.210 . 5.210 4.324 2.879 4.488 . 0 0 "[ . 1 . 2]" 1
1241 1 63 ASN HD22 1 65 LEU HG 5.430 . 5.430 3.676 3.559 3.763 . 0 0 "[ . 1 . 2]" 1
1242 1 64 ARG H 1 64 ARG HA 2.610 . 2.610 2.269 2.254 2.284 . 0 0 "[ . 1 . 2]" 1
1243 1 64 ARG H 1 64 ARG HB2 3.860 . 3.860 3.567 3.370 3.749 . 0 0 "[ . 1 . 2]" 1
1244 1 64 ARG H 1 64 ARG QD 3.700 . 3.700 2.721 2.404 3.432 . 0 0 "[ . 1 . 2]" 1
1245 1 64 ARG H 1 64 ARG QG 3.010 . 3.010 2.942 2.583 3.180 0.170 1 0 "[ . 1 . 2]" 1
1246 1 64 ARG H 1 65 LEU H 3.170 . 3.170 2.681 2.215 2.749 . 0 0 "[ . 1 . 2]" 1
1247 1 64 ARG H 1 65 LEU MD1 5.360 . 5.360 5.091 3.213 5.260 . 0 0 "[ . 1 . 2]" 1
1248 1 64 ARG H 1 65 LEU MD2 4.760 . 4.760 4.624 1.878 4.837 0.077 18 0 "[ . 1 . 2]" 1
1249 1 64 ARG H 1 65 LEU HG 4.210 . 4.210 4.012 3.898 4.309 0.099 16 0 "[ . 1 . 2]" 1
1250 1 64 ARG H 1 66 GLY H 4.580 . 4.580 4.309 4.132 4.385 . 0 0 "[ . 1 . 2]" 1
1251 1 64 ARG HA 1 64 ARG HG2 3.990 . 3.990 3.321 3.044 3.500 . 0 0 "[ . 1 . 2]" 1
1252 1 64 ARG HA 1 64 ARG HG3 3.990 . 3.990 3.095 2.096 3.801 . 0 0 "[ . 1 . 2]" 1
1253 1 64 ARG HA 1 65 LEU H 3.250 . 3.250 2.635 2.488 2.747 . 0 0 "[ . 1 . 2]" 1
1254 1 64 ARG HA 1 66 GLY H 3.490 . 3.490 2.936 2.748 3.153 . 0 0 "[ . 1 . 2]" 1
1255 1 64 ARG QD 1 65 LEU H 5.040 . 5.040 4.581 4.106 5.120 0.080 17 0 "[ . 1 . 2]" 1
1256 1 65 LEU H 1 65 LEU HB2 3.170 . 3.170 2.458 2.405 2.606 . 0 0 "[ . 1 . 2]" 1
1257 1 65 LEU H 1 65 LEU MD1 3.820 . 3.820 3.593 2.593 3.688 . 0 0 "[ . 1 . 2]" 1
1258 1 65 LEU H 1 65 LEU MD2 3.740 . 3.740 3.171 1.335 3.350 . 0 0 "[ . 1 . 2]" 1
1259 1 65 LEU H 1 65 LEU HG 3.240 . 3.240 2.329 2.179 3.336 0.096 16 0 "[ . 1 . 2]" 1
1260 1 65 LEU H 1 66 GLY H 3.010 . 3.010 2.370 2.256 2.458 . 0 0 "[ . 1 . 2]" 1
1261 1 65 LEU H 1 66 GLY HA2 5.120 . 5.120 4.678 4.549 4.777 . 0 0 "[ . 1 . 2]" 1
1262 1 65 LEU H 1 66 GLY HA3 5.230 . 5.230 5.085 4.984 5.154 . 0 0 "[ . 1 . 2]" 1
1263 1 65 LEU H 1 67 VAL H 4.350 . 4.350 3.817 3.665 3.974 . 0 0 "[ . 1 . 2]" 1
1264 1 65 LEU H 1 67 VAL QG 4.620 . 4.620 4.299 4.247 4.364 . 0 0 "[ . 1 . 2]" 1
1265 1 65 LEU HA 1 65 LEU MD1 4.050 . 4.050 3.818 2.083 3.970 . 0 0 "[ . 1 . 2]" 1
1266 1 65 LEU HA 1 65 LEU MD2 2.990 . 2.990 2.306 2.202 3.641 0.651 16 1 "[ . 1 .+ 2]" 1
1267 1 65 LEU HA 1 67 VAL H 5.180 . 5.180 4.655 4.472 4.757 . 0 0 "[ . 1 . 2]" 1
1268 1 65 LEU HA 1 67 VAL QG 4.370 . 4.370 3.961 3.749 4.086 . 0 0 "[ . 1 . 2]" 1
1269 1 65 LEU HB2 1 65 LEU MD1 3.260 . 3.260 2.351 2.232 3.228 . 0 0 "[ . 1 . 2]" 1
1270 1 65 LEU HB2 1 65 LEU MD2 3.340 . 3.340 3.182 2.062 3.278 . 0 0 "[ . 1 . 2]" 1
1271 1 65 LEU HB2 1 66 GLY H 3.420 . 3.420 2.853 2.776 3.076 . 0 0 "[ . 1 . 2]" 1
1272 1 65 LEU HB2 1 67 VAL H 3.370 . 3.370 2.573 2.321 2.788 . 0 0 "[ . 1 . 2]" 1
1273 1 65 LEU HB3 1 65 LEU MD2 3.270 . 3.270 2.489 2.412 3.144 . 0 0 "[ . 1 . 2]" 1
1274 1 65 LEU HB3 1 66 GLY H 4.080 . 4.080 3.922 3.874 4.127 0.047 16 0 "[ . 1 . 2]" 1
1275 1 65 LEU HB3 1 67 VAL H 4.220 . 4.220 3.706 3.506 4.065 . 0 0 "[ . 1 . 2]" 1
1276 1 65 LEU HB3 1 67 VAL QG 3.420 . 3.420 2.279 2.173 2.634 . 0 0 "[ . 1 . 2]" 1
1277 1 65 LEU MD1 1 66 GLY H 4.920 . 4.920 4.647 4.266 4.725 . 0 0 "[ . 1 . 2]" 1
1278 1 65 LEU MD1 1 67 VAL H 4.700 . 4.700 4.213 3.861 5.258 0.558 16 1 "[ . 1 .+ 2]" 1
1279 1 65 LEU MD2 1 66 GLY H 5.130 . 5.130 4.597 3.077 4.707 . 0 0 "[ . 1 . 2]" 1
1280 1 65 LEU HG 1 67 VAL H 5.260 . 5.260 4.835 4.598 5.269 0.009 16 0 "[ . 1 . 2]" 1
1281 1 66 GLY H 1 67 VAL H 2.940 . 2.940 2.327 2.256 2.456 . 0 0 "[ . 1 . 2]" 1
1282 1 66 GLY H 1 67 VAL HA 5.130 . 5.130 5.031 4.960 5.140 0.010 16 0 "[ . 1 . 2]" 1
1283 1 66 GLY H 1 67 VAL QG 3.930 . 3.930 3.685 3.633 3.720 . 0 0 "[ . 1 . 2]" 1
1284 1 66 GLY H 1 68 VAL MG2 5.500 . 5.500 5.348 5.169 5.534 0.034 18 0 "[ . 1 . 2]" 1
1285 1 66 GLY HA2 1 67 VAL H 3.380 . 3.380 3.100 3.080 3.114 . 0 0 "[ . 1 . 2]" 1
1286 1 67 VAL H 1 67 VAL HB 4.050 . 4.050 3.930 3.886 3.989 . 0 0 "[ . 1 . 2]" 1
1287 1 67 VAL H 1 67 VAL MG1 4.180 . 4.180 3.360 3.268 3.461 . 0 0 "[ . 1 . 2]" 1
1288 1 67 VAL H 1 67 VAL QG 2.990 . 2.990 2.389 2.316 2.504 . 0 0 "[ . 1 . 2]" 1
1289 1 67 VAL H 1 67 VAL MG2 4.180 . 4.180 2.445 2.367 2.570 . 0 0 "[ . 1 . 2]" 1
1290 1 67 VAL H 1 68 VAL H 4.390 . 4.390 4.396 4.360 4.414 0.024 14 0 "[ . 1 . 2]" 1
1291 1 67 VAL H 1 68 VAL HA 5.500 . 5.500 4.711 4.603 4.784 . 0 0 "[ . 1 . 2]" 1
1292 1 67 VAL H 1 68 VAL MG2 4.490 . 4.490 4.035 3.948 4.122 . 0 0 "[ . 1 . 2]" 1
1293 1 67 VAL HA 1 68 VAL H 2.800 . 2.800 2.294 2.230 2.371 . 0 0 "[ . 1 . 2]" 1
1294 1 67 VAL HA 1 68 VAL MG2 4.210 . 4.210 3.165 3.106 3.252 . 0 0 "[ . 1 . 2]" 1
1295 1 67 VAL HB 1 68 VAL H 3.170 . 3.170 2.540 2.306 2.695 . 0 0 "[ . 1 . 2]" 1
1296 1 67 VAL QG 1 68 VAL H 3.430 . 3.430 3.238 3.136 3.317 . 0 0 "[ . 1 . 2]" 1
1297 1 67 VAL QG 1 68 VAL HA 4.610 . 4.610 3.903 3.786 4.018 . 0 0 "[ . 1 . 2]" 1
1298 1 67 VAL MG1 1 68 VAL H 4.020 . 4.020 3.563 3.448 3.708 . 0 0 "[ . 1 . 2]" 1
1299 1 67 VAL MG2 1 68 VAL H 4.020 . 4.020 3.721 3.535 3.836 . 0 0 "[ . 1 . 2]" 1
1300 1 68 VAL H 1 68 VAL HB 3.220 . 3.220 2.771 2.737 2.808 . 0 0 "[ . 1 . 2]" 1
1301 1 68 VAL H 1 68 VAL MG1 4.030 . 4.030 3.901 3.860 3.934 . 0 0 "[ . 1 . 2]" 1
1302 1 68 VAL H 1 68 VAL MG2 3.160 . 3.160 2.648 2.522 2.713 . 0 0 "[ . 1 . 2]" 1
1303 1 68 VAL H 1 69 THR H 4.350 . 4.350 4.359 4.328 4.384 0.034 17 0 "[ . 1 . 2]" 1
1304 1 68 VAL HA 1 68 VAL MG1 3.380 . 3.380 2.221 2.161 2.246 . 0 0 "[ . 1 . 2]" 1
1305 1 68 VAL HA 1 68 VAL MG2 3.260 . 3.260 2.513 2.486 2.538 . 0 0 "[ . 1 . 2]" 1
1306 1 68 VAL HA 1 69 THR H 2.680 . 2.680 2.210 2.113 2.277 . 0 0 "[ . 1 . 2]" 1
1307 1 68 VAL HA 1 69 THR HA 4.700 . 4.700 4.438 4.386 4.504 . 0 0 "[ . 1 . 2]" 1
1308 1 68 VAL HA 1 69 THR MG 4.350 . 4.350 3.507 3.344 3.899 . 0 0 "[ . 1 . 2]" 1
1309 1 68 VAL HA 1 72 ALA MB 4.470 . 4.470 3.243 3.121 3.368 . 0 0 "[ . 1 . 2]" 1
1310 1 68 VAL MG1 1 69 THR H 3.280 . 3.280 2.599 2.536 2.672 . 0 0 "[ . 1 . 2]" 1
1311 1 68 VAL MG1 1 69 THR MG 4.260 . 4.260 3.741 3.609 3.833 . 0 0 "[ . 1 . 2]" 1
1312 1 68 VAL MG1 1 72 ALA H 4.250 . 4.250 3.892 3.814 3.962 . 0 0 "[ . 1 . 2]" 1
1313 1 68 VAL MG1 1 72 ALA MB 3.580 . 3.580 2.178 2.113 2.262 . 0 0 "[ . 1 . 2]" 1
1314 1 68 VAL MG1 1 73 PHE H 3.510 . 3.510 2.928 2.775 2.999 . 0 0 "[ . 1 . 2]" 1
1315 1 68 VAL MG1 1 73 PHE HA 4.220 . 4.220 3.597 3.455 3.724 . 0 0 "[ . 1 . 2]" 1
1316 1 68 VAL MG1 1 73 PHE HB3 4.480 . 4.480 2.698 2.566 2.812 . 0 0 "[ . 1 . 2]" 1
1317 1 68 VAL MG2 1 69 THR H 4.210 . 4.210 4.213 4.188 4.237 0.027 11 0 "[ . 1 . 2]" 1
1318 1 69 THR H 1 69 THR MG 2.890 . 2.890 1.969 1.896 2.134 . 0 0 "[ . 1 . 2]" 1
1319 1 69 THR H 1 70 PHE H 4.670 . 4.670 4.575 4.537 4.609 . 0 0 "[ . 1 . 2]" 1
1320 1 69 THR H 1 71 GLN H 5.460 . 5.460 5.015 4.955 5.128 . 0 0 "[ . 1 . 2]" 1
1321 1 69 THR H 1 72 ALA MB 2.970 . 2.970 2.219 2.093 2.344 . 0 0 "[ . 1 . 2]" 1
1322 1 69 THR H 1 73 PHE HB3 5.500 . 5.500 5.522 5.502 5.611 0.111 13 0 "[ . 1 . 2]" 1
1323 1 69 THR HA 1 69 THR MG 3.240 . 3.240 3.060 2.905 3.230 . 0 0 "[ . 1 . 2]" 1
1324 1 69 THR HA 1 70 PHE H 3.380 . 3.380 2.333 2.298 2.364 . 0 0 "[ . 1 . 2]" 1
1325 1 69 THR HA 1 70 PHE HB2 5.070 . 5.070 4.818 4.762 4.893 . 0 0 "[ . 1 . 2]" 1
1326 1 69 THR HA 1 72 ALA H 4.390 . 4.390 4.425 4.366 4.496 0.106 13 0 "[ . 1 . 2]" 1
1327 1 69 THR HA 1 72 ALA MB 4.600 . 4.600 4.303 4.209 4.458 . 0 0 "[ . 1 . 2]" 1
1328 1 69 THR HB 1 70 PHE H 3.850 . 3.850 3.283 2.876 3.834 . 0 0 "[ . 1 . 2]" 1
1329 1 69 THR MG 1 70 PHE H 3.830 . 3.830 3.919 3.488 4.099 0.269 17 0 "[ . 1 . 2]" 1
1330 1 69 THR MG 1 71 GLN H 3.740 . 3.740 3.473 2.502 3.962 0.222 1 0 "[ . 1 . 2]" 1
1331 1 69 THR MG 1 71 GLN HE21 5.500 . 5.500 5.205 4.532 5.576 0.076 11 0 "[ . 1 . 2]" 1
1332 1 69 THR MG 1 72 ALA H 3.660 . 3.660 2.657 1.886 3.181 . 0 0 "[ . 1 . 2]" 1
1333 1 69 THR MG 1 72 ALA HA 4.570 . 4.570 3.979 3.595 4.285 . 0 0 "[ . 1 . 2]" 1
1334 1 70 PHE H 1 70 PHE HB2 4.100 . 4.100 2.684 2.627 2.755 . 0 0 "[ . 1 . 2]" 1
1335 1 70 PHE H 1 70 PHE HB3 3.510 . 3.510 2.373 2.311 2.424 . 0 0 "[ . 1 . 2]" 1
1336 1 70 PHE H 1 70 PHE HD1 5.500 . 5.500 4.479 4.431 4.546 . 0 0 "[ . 1 . 2]" 1
1337 1 70 PHE H 1 71 GLN HB3 4.990 . 4.990 4.830 4.736 4.929 . 0 0 "[ . 1 . 2]" 1
1338 1 70 PHE H 1 72 ALA H 4.840 . 4.840 4.074 4.001 4.177 . 0 0 "[ . 1 . 2]" 1
1339 1 70 PHE H 1 72 ALA MB 5.120 . 5.120 4.932 4.872 5.066 . 0 0 "[ . 1 . 2]" 1
1340 1 70 PHE HA 1 70 PHE HD2 3.300 . 3.300 3.154 3.119 3.213 . 0 0 "[ . 1 . 2]" 1
1341 1 70 PHE HA 1 73 PHE H 4.700 . 4.700 3.809 3.773 3.871 . 0 0 "[ . 1 . 2]" 1
1342 1 70 PHE HA 1 73 PHE HB3 4.920 . 4.920 4.300 4.243 4.395 . 0 0 "[ . 1 . 2]" 1
1343 1 70 PHE HA 1 73 PHE HD2 4.070 . 4.070 2.170 2.109 2.273 . 0 0 "[ . 1 . 2]" 1
1344 1 70 PHE HA 1 73 PHE HE2 4.290 . 4.290 2.585 2.511 2.689 . 0 0 "[ . 1 . 2]" 1
1345 1 70 PHE HA 1 74 ILE H 4.750 . 4.750 4.607 4.531 4.696 . 0 0 "[ . 1 . 2]" 1
1346 1 70 PHE HB2 1 70 PHE HD2 3.270 . 3.270 2.472 2.451 2.510 . 0 0 "[ . 1 . 2]" 1
1347 1 70 PHE HB2 1 73 PHE HE2 5.500 . 5.500 3.703 3.592 3.776 . 0 0 "[ . 1 . 2]" 1
1348 1 70 PHE HB3 1 70 PHE HD1 3.220 . 3.220 2.448 2.434 2.463 . 0 0 "[ . 1 . 2]" 1
1349 1 70 PHE HB3 1 71 GLN H 3.270 . 3.270 2.643 2.575 2.696 . 0 0 "[ . 1 . 2]" 1
1350 1 70 PHE HB3 1 71 GLN HA 5.000 . 5.000 4.416 4.364 4.454 . 0 0 "[ . 1 . 2]" 1
1351 1 70 PHE HD1 1 71 GLN H 3.740 . 3.740 2.895 2.790 2.971 . 0 0 "[ . 1 . 2]" 1
1352 1 70 PHE HD1 1 71 GLN HA 4.850 . 4.850 2.809 2.775 2.864 . 0 0 "[ . 1 . 2]" 1
1353 1 70 PHE HD1 1 71 GLN HB2 4.390 . 4.390 3.595 3.471 3.889 . 0 0 "[ . 1 . 2]" 1
1354 1 70 PHE HD1 1 71 GLN HB3 5.060 . 5.060 2.895 2.686 3.027 . 0 0 "[ . 1 . 2]" 1
1355 1 70 PHE HD1 1 72 ALA H 4.940 . 4.940 4.978 4.957 5.054 0.114 13 0 "[ . 1 . 2]" 1
1356 1 70 PHE HD1 1 74 ILE H 5.500 . 5.500 5.504 5.471 5.528 0.028 5 0 "[ . 1 . 2]" 1
1357 1 70 PHE HD1 1 74 ILE HG13 4.220 . 4.220 3.818 3.722 3.901 . 0 0 "[ . 1 . 2]" 1
1358 1 70 PHE HD2 1 74 ILE MD 4.790 . 4.790 4.633 4.513 4.773 . 0 0 "[ . 1 . 2]" 1
1359 1 70 PHE HE1 1 71 GLN H 5.500 . 5.500 5.189 5.114 5.266 . 0 0 "[ . 1 . 2]" 1
1360 1 70 PHE HE1 1 74 ILE HB 4.580 . 4.580 4.584 4.492 4.606 0.026 1 0 "[ . 1 . 2]" 1
1361 1 70 PHE HE1 1 74 ILE HG13 4.030 . 4.030 2.880 2.822 2.954 . 0 0 "[ . 1 . 2]" 1
1362 1 70 PHE HE1 1 74 ILE MG 4.020 . 4.020 4.000 3.929 4.048 0.028 10 0 "[ . 1 . 2]" 1
1363 1 70 PHE HE2 1 74 ILE MD 4.610 . 4.610 3.381 3.280 3.551 . 0 0 "[ . 1 . 2]" 1
1364 1 70 PHE HZ 1 74 ILE MD 3.890 . 3.890 3.002 2.912 3.094 . 0 0 "[ . 1 . 2]" 1
1365 1 70 PHE HZ 1 74 ILE HG13 4.300 . 4.300 3.274 3.187 3.381 . 0 0 "[ . 1 . 2]" 1
1366 1 71 GLN H 1 71 GLN HB2 3.530 . 3.530 3.514 3.494 3.540 0.010 13 0 "[ . 1 . 2]" 1
1367 1 71 GLN H 1 71 GLN HB3 2.970 . 2.970 2.206 2.181 2.262 . 0 0 "[ . 1 . 2]" 1
1368 1 71 GLN H 1 71 GLN HE21 5.220 . 5.220 4.754 4.682 4.805 . 0 0 "[ . 1 . 2]" 1
1369 1 71 GLN H 1 71 GLN HG2 4.540 . 4.540 3.502 3.418 3.628 . 0 0 "[ . 1 . 2]" 1
1370 1 71 GLN H 1 71 GLN HG3 3.190 . 3.190 3.195 2.911 3.238 0.048 17 0 "[ . 1 . 2]" 1
1371 1 71 GLN H 1 72 ALA H 3.230 . 3.230 2.523 2.477 2.669 . 0 0 "[ . 1 . 2]" 1
1372 1 71 GLN H 1 72 ALA HA 5.370 . 5.370 5.089 5.053 5.187 . 0 0 "[ . 1 . 2]" 1
1373 1 71 GLN H 1 72 ALA MB 4.190 . 4.190 4.224 4.183 4.366 0.176 13 0 "[ . 1 . 2]" 1
1374 1 71 GLN H 1 73 PHE H 5.060 . 5.060 4.502 4.431 4.636 . 0 0 "[ . 1 . 2]" 1
1375 1 71 GLN H 1 73 PHE HE2 5.500 . 5.500 5.556 5.523 5.637 0.137 13 0 "[ . 1 . 2]" 1
1376 1 71 GLN H 1 74 ILE H 5.030 . 5.030 4.986 4.925 5.045 0.015 5 0 "[ . 1 . 2]" 1
1377 1 71 GLN H 1 74 ILE HG12 5.500 . 5.500 5.307 5.233 5.360 . 0 0 "[ . 1 . 2]" 1
1378 1 71 GLN H 1 74 ILE HG13 5.500 . 5.500 5.327 5.224 5.403 . 0 0 "[ . 1 . 2]" 1
1379 1 71 GLN HA 1 71 GLN HE21 4.190 . 4.190 3.161 2.954 3.240 . 0 0 "[ . 1 . 2]" 1
1380 1 71 GLN HA 1 71 GLN HE22 4.610 . 4.610 4.668 4.636 4.705 0.095 17 0 "[ . 1 . 2]" 1
1381 1 71 GLN HA 1 71 GLN HG3 3.790 . 3.790 3.604 3.561 3.697 . 0 0 "[ . 1 . 2]" 1
1382 1 71 GLN HA 1 74 ILE H 3.600 . 3.600 3.432 3.259 3.511 . 0 0 "[ . 1 . 2]" 1
1383 1 71 GLN HA 1 74 ILE HB 3.790 . 3.790 2.456 2.355 2.517 . 0 0 "[ . 1 . 2]" 1
1384 1 71 GLN HA 1 74 ILE HG13 3.960 . 3.960 3.018 2.925 3.185 . 0 0 "[ . 1 . 2]" 1
1385 1 71 GLN HA 1 74 ILE MG 3.800 . 3.800 3.747 3.688 3.805 0.005 8 0 "[ . 1 . 2]" 1
1386 1 71 GLN HA 1 75 ASP H 4.770 . 4.770 4.568 4.354 4.698 . 0 0 "[ . 1 . 2]" 1
1387 1 71 GLN HB2 1 71 GLN HE21 4.320 . 4.320 2.577 1.869 2.715 . 0 0 "[ . 1 . 2]" 1
1388 1 71 GLN HB2 1 71 GLN HE22 4.540 . 4.540 3.442 3.397 3.511 . 0 0 "[ . 1 . 2]" 1
1389 1 71 GLN HB2 1 74 ILE MG 4.620 . 4.620 4.582 4.439 4.690 0.070 13 0 "[ . 1 . 2]" 1
1390 1 71 GLN HB3 1 71 GLN HE21 4.140 . 4.140 3.819 3.396 3.893 . 0 0 "[ . 1 . 2]" 1
1391 1 71 GLN HB3 1 71 GLN HE22 4.910 . 4.910 4.837 4.801 4.879 . 0 0 "[ . 1 . 2]" 1
1392 1 71 GLN HB3 1 72 ALA H 3.920 . 3.920 3.895 3.839 3.927 0.007 14 0 "[ . 1 . 2]" 1
1393 1 71 GLN HE21 1 71 GLN HG3 3.330 . 3.330 2.659 2.580 3.252 . 0 0 "[ . 1 . 2]" 1
1394 1 71 GLN HE21 1 72 ALA HA 5.110 . 5.110 3.328 3.215 3.763 . 0 0 "[ . 1 . 2]" 1
1395 1 71 GLN HE21 1 74 ILE H 5.290 . 5.290 4.737 4.642 4.989 . 0 0 "[ . 1 . 2]" 1
1396 1 71 GLN HE21 1 74 ILE HB 4.770 . 4.770 3.661 3.608 3.729 . 0 0 "[ . 1 . 2]" 1
1397 1 71 GLN HE21 1 74 ILE HG13 5.500 . 5.500 5.522 5.503 5.549 0.049 17 0 "[ . 1 . 2]" 1
1398 1 71 GLN HE21 1 74 ILE MG 4.400 . 4.400 4.266 4.121 4.335 . 0 0 "[ . 1 . 2]" 1
1399 1 71 GLN HE21 1 75 ASP H 5.110 . 5.110 3.961 3.780 4.125 . 0 0 "[ . 1 . 2]" 1
1400 1 71 GLN HE21 1 75 ASP HB2 5.220 . 5.220 3.517 3.209 3.821 . 0 0 "[ . 1 . 2]" 1
1401 1 71 GLN HE21 1 75 ASP HB3 5.500 . 5.500 5.158 4.891 5.372 . 0 0 "[ . 1 . 2]" 1
1402 1 71 GLN HE22 1 71 GLN HG3 3.800 . 3.800 3.682 3.627 3.926 0.126 13 0 "[ . 1 . 2]" 1
1403 1 71 GLN HE22 1 72 ALA HA 5.500 . 5.500 4.503 3.741 4.652 . 0 0 "[ . 1 . 2]" 1
1404 1 71 GLN HE22 1 74 ILE HB 5.310 . 5.310 5.004 4.879 5.074 . 0 0 "[ . 1 . 2]" 1
1405 1 71 GLN HE22 1 74 ILE MG 5.150 . 5.150 4.882 4.692 5.157 0.007 13 0 "[ . 1 . 2]" 1
1406 1 71 GLN HE22 1 75 ASP H 5.230 . 5.230 5.135 4.553 5.240 0.010 9 0 "[ . 1 . 2]" 1
1407 1 71 GLN HE22 1 75 ASP HB2 5.420 . 5.420 3.985 3.009 4.304 . 0 0 "[ . 1 . 2]" 1
1408 1 71 GLN HG2 1 72 ALA H 5.010 . 5.010 4.144 4.070 4.213 . 0 0 "[ . 1 . 2]" 1
1409 1 71 GLN HG3 1 72 ALA H 3.560 . 3.560 2.755 2.417 2.848 . 0 0 "[ . 1 . 2]" 1
1410 1 71 GLN HG3 1 72 ALA HA 3.810 . 3.810 3.257 3.146 3.440 . 0 0 "[ . 1 . 2]" 1
1411 1 71 GLN HG3 1 75 ASP H 5.500 . 5.500 5.483 5.350 5.542 0.042 13 0 "[ . 1 . 2]" 1
1412 1 72 ALA H 1 72 ALA MB 2.740 . 2.740 2.268 2.255 2.289 . 0 0 "[ . 1 . 2]" 1
1413 1 72 ALA H 1 73 PHE H 3.520 . 3.520 2.639 2.579 2.724 . 0 0 "[ . 1 . 2]" 1
1414 1 72 ALA H 1 73 PHE HB3 4.890 . 4.890 4.818 4.720 4.910 0.020 1 0 "[ . 1 . 2]" 1
1415 1 72 ALA H 1 74 ILE H 4.030 . 4.030 3.867 3.794 3.929 . 0 0 "[ . 1 . 2]" 1
1416 1 72 ALA HA 1 75 ASP H 4.590 . 4.590 3.277 3.112 3.373 . 0 0 "[ . 1 . 2]" 1
1417 1 72 ALA HA 1 75 ASP HB2 4.130 . 4.130 2.932 2.620 3.175 . 0 0 "[ . 1 . 2]" 1
1418 1 72 ALA HA 1 75 ASP HB3 3.970 . 3.970 3.600 3.279 3.913 . 0 0 "[ . 1 . 2]" 1
1419 1 72 ALA MB 1 73 PHE H 2.980 . 2.980 2.639 2.603 2.675 . 0 0 "[ . 1 . 2]" 1
1420 1 72 ALA MB 1 73 PHE HB3 4.860 . 4.860 4.027 3.969 4.097 . 0 0 "[ . 1 . 2]" 1
1421 1 72 ALA MB 1 75 ASP HB2 4.570 . 4.570 4.337 4.130 4.526 . 0 0 "[ . 1 . 2]" 1
1422 1 73 PHE H 1 73 PHE HB3 3.040 . 3.040 2.310 2.250 2.347 . 0 0 "[ . 1 . 2]" 1
1423 1 73 PHE H 1 73 PHE HD2 3.540 . 3.540 2.712 2.675 2.769 . 0 0 "[ . 1 . 2]" 1
1424 1 73 PHE H 1 74 ILE H 3.140 . 3.140 2.567 2.532 2.609 . 0 0 "[ . 1 . 2]" 1
1425 1 73 PHE H 1 75 ASP H 4.720 . 4.720 4.027 3.922 4.091 . 0 0 "[ . 1 . 2]" 1
1426 1 73 PHE HA 1 73 PHE HD1 3.830 . 3.830 3.781 3.745 3.824 . 0 0 "[ . 1 . 2]" 1
1427 1 73 PHE HA 1 74 ILE HA 4.980 . 4.980 4.826 4.787 4.873 . 0 0 "[ . 1 . 2]" 1
1428 1 73 PHE HA 1 76 PHE H 4.110 . 4.110 3.455 3.369 3.551 . 0 0 "[ . 1 . 2]" 1
1429 1 73 PHE HA 1 76 PHE HD2 3.460 . 3.460 2.839 2.779 2.896 . 0 0 "[ . 1 . 2]" 1
1430 1 73 PHE HA 1 76 PHE HE2 4.450 . 4.450 2.319 2.257 2.419 . 0 0 "[ . 1 . 2]" 1
1431 1 73 PHE HA 1 76 PHE HZ 3.730 . 3.730 3.773 3.745 3.796 0.066 17 0 "[ . 1 . 2]" 1
1432 1 73 PHE HB2 1 74 ILE H 5.020 . 5.020 4.223 4.194 4.246 . 0 0 "[ . 1 . 2]" 1
1433 1 73 PHE HB2 1 75 ASP H 5.500 . 5.500 5.512 5.467 5.536 0.036 13 0 "[ . 1 . 2]" 1
1434 1 73 PHE HB3 1 74 ILE H 3.870 . 3.870 3.829 3.758 3.864 . 0 0 "[ . 1 . 2]" 1
1435 1 73 PHE HB3 1 75 ASP H 5.500 . 5.500 5.477 5.418 5.514 0.014 1 0 "[ . 1 . 2]" 1
1436 1 73 PHE HD1 1 74 ILE H 4.900 . 4.900 4.092 4.043 4.134 . 0 0 "[ . 1 . 2]" 1
1437 1 73 PHE HD1 1 75 ASP H 5.500 . 5.500 5.519 5.468 5.560 0.060 13 0 "[ . 1 . 2]" 1
1438 1 73 PHE HD1 1 77 MET HA 5.020 . 5.020 5.054 4.822 5.178 0.158 13 0 "[ . 1 . 2]" 1
1439 1 73 PHE HD1 1 77 MET HG2 5.040 . 5.040 4.429 4.019 4.868 . 0 0 "[ . 1 . 2]" 1
1440 1 73 PHE HD2 1 74 ILE H 3.730 . 3.730 3.521 3.438 3.594 . 0 0 "[ . 1 . 2]" 1
1441 1 73 PHE HD2 1 74 ILE HG12 4.070 . 4.070 3.752 3.681 3.829 . 0 0 "[ . 1 . 2]" 1
1442 1 73 PHE HE2 1 74 ILE H 4.960 . 4.960 4.594 4.507 4.680 . 0 0 "[ . 1 . 2]" 1
1443 1 73 PHE HZ 1 74 ILE MD 4.970 . 4.970 2.603 2.438 2.701 . 0 0 "[ . 1 . 2]" 1
1444 1 74 ILE H 1 74 ILE HB 2.890 . 2.890 2.401 2.364 2.510 . 0 0 "[ . 1 . 2]" 1
1445 1 74 ILE H 1 74 ILE MD 3.990 . 3.990 3.698 3.631 3.772 . 0 0 "[ . 1 . 2]" 1
1446 1 74 ILE H 1 74 ILE HG12 2.820 . 2.820 2.340 2.269 2.412 . 0 0 "[ . 1 . 2]" 1
1447 1 74 ILE H 1 74 ILE MG 3.840 . 3.840 3.790 3.777 3.844 0.004 13 0 "[ . 1 . 2]" 1
1448 1 74 ILE H 1 77 MET HB3 4.720 . 4.720 4.749 4.678 4.796 0.076 13 0 "[ . 1 . 2]" 1
1449 1 74 ILE HA 1 74 ILE MD 3.290 . 3.290 2.205 2.168 2.278 . 0 0 "[ . 1 . 2]" 1
1450 1 74 ILE HA 1 74 ILE HG12 3.810 . 3.810 2.857 2.804 2.915 . 0 0 "[ . 1 . 2]" 1
1451 1 74 ILE HA 1 74 ILE MG 3.360 . 3.360 2.556 2.524 2.585 . 0 0 "[ . 1 . 2]" 1
1452 1 74 ILE HA 1 75 ASP H 3.430 . 3.430 3.484 3.460 3.519 0.089 17 0 "[ . 1 . 2]" 1
1453 1 74 ILE HA 1 77 MET H 3.330 . 3.330 3.062 2.964 3.132 . 0 0 "[ . 1 . 2]" 1
1454 1 74 ILE HA 1 77 MET HA 5.040 . 5.040 4.905 4.801 4.989 . 0 0 "[ . 1 . 2]" 1
1455 1 74 ILE HA 1 77 MET HB3 3.780 . 3.780 2.449 2.310 2.601 . 0 0 "[ . 1 . 2]" 1
1456 1 74 ILE HA 1 77 MET HG2 4.410 . 4.410 2.463 2.345 2.612 . 0 0 "[ . 1 . 2]" 1
1457 1 74 ILE HA 1 77 MET HG3 4.370 . 4.370 2.500 2.201 2.968 . 0 0 "[ . 1 . 2]" 1
1458 1 74 ILE HA 1 78 SER H 4.950 . 4.950 4.180 3.848 4.633 . 0 0 "[ . 1 . 2]" 1
1459 1 74 ILE HB 1 74 ILE MD 3.530 . 3.530 3.305 3.285 3.329 . 0 0 "[ . 1 . 2]" 1
1460 1 74 ILE HB 1 75 ASP H 3.410 . 3.410 3.053 2.972 3.160 . 0 0 "[ . 1 . 2]" 1
1461 1 74 ILE HB 1 75 ASP HA 4.730 . 4.730 4.502 4.344 4.604 . 0 0 "[ . 1 . 2]" 1
1462 1 74 ILE MD 1 77 MET H 5.040 . 5.040 4.718 4.618 4.846 . 0 0 "[ . 1 . 2]" 1
1463 1 74 ILE MD 1 77 MET HB2 4.300 . 4.300 4.042 3.906 4.282 . 0 0 "[ . 1 . 2]" 1
1464 1 74 ILE MD 1 77 MET HB3 4.500 . 4.500 3.433 3.293 3.692 . 0 0 "[ . 1 . 2]" 1
1465 1 74 ILE MG 1 75 ASP H 3.790 . 3.790 3.639 3.577 3.711 . 0 0 "[ . 1 . 2]" 1
1466 1 74 ILE MG 1 75 ASP HA 3.970 . 3.970 3.487 3.402 3.578 . 0 0 "[ . 1 . 2]" 1
1467 1 74 ILE MG 1 77 MET H 4.600 . 4.600 4.371 4.221 4.471 . 0 0 "[ . 1 . 2]" 1
1468 1 74 ILE MG 1 78 SER H 4.870 . 4.870 4.033 3.662 4.503 . 0 0 "[ . 1 . 2]" 1
1469 1 75 ASP H 1 75 ASP HB2 3.040 . 3.040 2.442 2.336 2.546 . 0 0 "[ . 1 . 2]" 1
1470 1 75 ASP H 1 75 ASP HB3 2.930 . 2.930 2.718 2.583 2.810 . 0 0 "[ . 1 . 2]" 1
1471 1 75 ASP H 1 76 PHE H 3.180 . 3.180 2.768 2.654 2.874 . 0 0 "[ . 1 . 2]" 1
1472 1 75 ASP H 1 77 MET HG3 5.220 . 5.220 4.996 4.843 5.210 . 0 0 "[ . 1 . 2]" 1
1473 1 75 ASP HB2 1 76 PHE H 3.770 . 3.770 3.793 3.759 3.835 0.065 17 0 "[ . 1 . 2]" 1
1474 1 75 ASP HB3 1 76 PHE H 3.320 . 3.320 2.550 2.362 2.639 . 0 0 "[ . 1 . 2]" 1
1475 1 75 ASP HB3 1 76 PHE HA 5.250 . 5.250 4.196 4.094 4.275 . 0 0 "[ . 1 . 2]" 1
1476 1 76 PHE H 1 76 PHE HB3 2.670 . 2.670 2.699 2.679 2.736 0.066 1 0 "[ . 1 . 2]" 1
1477 1 76 PHE H 1 76 PHE HD2 3.310 . 3.310 3.037 2.974 3.151 . 0 0 "[ . 1 . 2]" 1
1478 1 76 PHE H 1 76 PHE HE2 5.170 . 5.170 4.700 4.643 4.785 . 0 0 "[ . 1 . 2]" 1
1479 1 76 PHE H 1 77 MET H 3.140 . 3.140 2.473 2.418 2.543 . 0 0 "[ . 1 . 2]" 1
1480 1 76 PHE H 1 77 MET HA 5.090 . 5.090 5.018 4.923 5.081 . 0 0 "[ . 1 . 2]" 1
1481 1 76 PHE H 1 77 MET HB3 4.330 . 4.330 4.360 4.336 4.397 0.067 17 0 "[ . 1 . 2]" 1
1482 1 76 PHE H 1 78 SER H 4.540 . 4.540 4.207 4.020 4.546 0.006 16 0 "[ . 1 . 2]" 1
1483 1 76 PHE HA 1 76 PHE HD1 3.960 . 3.960 3.951 3.903 3.970 0.010 17 0 "[ . 1 . 2]" 1
1484 1 76 PHE HA 1 77 MET H 3.470 . 3.470 3.491 3.462 3.521 0.051 13 0 "[ . 1 . 2]" 1
1485 1 76 PHE HA 1 79 ARG H 4.400 . 4.400 3.025 2.624 3.530 . 0 0 "[ . 1 . 2]" 1
1486 1 76 PHE HB2 1 76 PHE HD1 3.600 . 3.600 2.752 2.698 2.809 . 0 0 "[ . 1 . 2]" 1
1487 1 76 PHE HB2 1 77 MET H 4.730 . 4.730 4.207 4.174 4.250 . 0 0 "[ . 1 . 2]" 1
1488 1 76 PHE HB2 1 77 MET HA 5.500 . 5.500 4.671 4.608 4.733 . 0 0 "[ . 1 . 2]" 1
1489 1 76 PHE HB2 1 79 ARG QB 4.640 . 4.640 3.501 3.062 4.244 . 0 0 "[ . 1 . 2]" 1
1490 1 76 PHE HB2 1 79 ARG QG 4.600 . 4.600 4.174 3.546 4.685 0.085 13 0 "[ . 1 . 2]" 1
1491 1 76 PHE HB3 1 77 MET H 5.070 . 5.070 4.217 4.174 4.279 . 0 0 "[ . 1 . 2]" 1
1492 1 76 PHE HD1 1 77 MET H 3.420 . 3.420 3.209 3.119 3.341 . 0 0 "[ . 1 . 2]" 1
1493 1 76 PHE HD1 1 77 MET HA 4.390 . 4.390 2.506 2.382 2.591 . 0 0 "[ . 1 . 2]" 1
1494 1 76 PHE HD1 1 77 MET HG3 5.500 . 5.500 5.547 5.520 5.583 0.083 13 0 "[ . 1 . 2]" 1
1495 1 76 PHE HD1 1 78 SER H 4.920 . 4.920 4.898 4.731 4.955 0.035 13 0 "[ . 1 . 2]" 1
1496 1 76 PHE HD1 1 79 ARG H 4.760 . 4.760 4.662 4.473 4.815 0.055 11 0 "[ . 1 . 2]" 1
1497 1 76 PHE HD1 1 80 GLU HG2 5.500 . 5.500 3.330 2.045 5.456 . 0 0 "[ . 1 . 2]" 1
1498 1 76 PHE HD1 1 80 GLU QG 4.720 . 4.720 2.832 1.960 4.059 . 0 0 "[ . 1 . 2]" 1
1499 1 76 PHE HD1 1 80 GLU HG3 5.500 . 5.500 3.414 2.513 5.518 0.018 3 0 "[ . 1 . 2]" 1
1500 1 77 MET H 1 77 MET HB3 2.970 . 2.970 2.169 2.114 2.260 . 0 0 "[ . 1 . 2]" 1
1501 1 77 MET H 1 77 MET HG2 3.860 . 3.860 3.891 3.856 3.928 0.068 20 0 "[ . 1 . 2]" 1
1502 1 77 MET H 1 77 MET HG3 3.100 . 3.100 2.939 2.805 3.113 0.013 10 0 "[ . 1 . 2]" 1
1503 1 77 MET H 1 78 SER H 3.090 . 3.090 2.575 2.450 2.816 . 0 0 "[ . 1 . 2]" 1
1504 1 77 MET H 1 79 ARG H 4.660 . 4.660 3.998 3.829 4.336 . 0 0 "[ . 1 . 2]" 1
1505 1 77 MET HA 1 77 MET ME 3.950 . 3.950 3.477 3.177 3.944 . 0 0 "[ . 1 . 2]" 1
1506 1 77 MET HA 1 79 ARG H 4.700 . 4.700 3.895 3.628 4.201 . 0 0 "[ . 1 . 2]" 1
1507 1 77 MET HA 1 80 GLU H 3.880 . 3.880 3.252 3.014 3.470 . 0 0 "[ . 1 . 2]" 1
1508 1 77 MET HA 1 80 GLU HG2 4.780 . 4.780 3.487 2.203 4.771 . 0 0 "[ . 1 . 2]" 1
1509 1 77 MET HA 1 80 GLU QG 4.170 . 4.170 2.929 2.118 3.436 . 0 0 "[ . 1 . 2]" 1
1510 1 77 MET HA 1 80 GLU HG3 4.780 . 4.780 3.500 2.428 4.345 . 0 0 "[ . 1 . 2]" 1
1511 1 77 MET HA 1 81 THR H 4.840 . 4.840 4.227 3.478 4.848 0.008 10 0 "[ . 1 . 2]" 1
1512 1 77 MET HB2 1 77 MET ME 2.610 . 2.610 2.212 2.124 2.300 . 0 0 "[ . 1 . 2]" 1
1513 1 77 MET HB2 1 78 SER H 5.300 . 5.300 4.236 4.146 4.407 . 0 0 "[ . 1 . 2]" 1
1514 1 77 MET HB3 1 78 SER H 3.970 . 3.970 3.681 3.557 3.861 . 0 0 "[ . 1 . 2]" 1
1515 1 77 MET HG3 1 78 SER H 3.410 . 3.410 2.468 2.340 2.703 . 0 0 "[ . 1 . 2]" 1
1516 1 77 MET HG3 1 78 SER HB2 3.870 . 3.870 3.612 3.323 3.884 0.014 17 0 "[ . 1 . 2]" 1
1517 1 78 SER H 1 78 SER HA 2.850 . 2.850 2.853 2.821 2.885 0.035 13 0 "[ . 1 . 2]" 1
1518 1 78 SER H 1 78 SER HB2 2.950 . 2.950 2.464 2.114 2.602 . 0 0 "[ . 1 . 2]" 1
1519 1 78 SER H 1 78 SER HB3 3.050 . 3.050 2.554 2.418 3.036 . 0 0 "[ . 1 . 2]" 1
1520 1 78 SER H 1 79 ARG H 3.030 . 3.030 2.633 2.497 2.795 . 0 0 "[ . 1 . 2]" 1
1521 1 78 SER HB3 1 79 ARG H 3.410 . 3.410 2.955 2.742 3.107 . 0 0 "[ . 1 . 2]" 1
1522 1 79 ARG H 1 79 ARG QB 2.620 . 2.620 2.473 2.202 2.601 . 0 0 "[ . 1 . 2]" 1
1523 1 79 ARG H 1 79 ARG QG 2.960 . 2.960 2.315 1.944 2.667 . 0 0 "[ . 1 . 2]" 1
1524 1 79 ARG H 1 80 GLU H 3.280 . 3.280 2.415 2.253 2.653 . 0 0 "[ . 1 . 2]" 1
1525 1 79 ARG H 1 81 THR H 4.890 . 4.890 3.902 3.525 4.317 . 0 0 "[ . 1 . 2]" 1
1526 1 79 ARG H 1 82 ALA H 5.500 . 5.500 4.926 4.290 5.511 0.011 12 0 "[ . 1 . 2]" 1
1527 1 79 ARG HA 1 79 ARG HD2 5.110 . 5.110 3.815 2.150 4.908 . 0 0 "[ . 1 . 2]" 1
1528 1 79 ARG HA 1 79 ARG QD 4.350 . 4.350 3.212 2.086 4.331 . 0 0 "[ . 1 . 2]" 1
1529 1 79 ARG HA 1 79 ARG HD3 5.110 . 5.110 3.716 2.117 4.818 . 0 0 "[ . 1 . 2]" 1
1530 1 79 ARG HA 1 79 ARG HG2 4.010 . 4.010 2.964 2.366 3.775 . 0 0 "[ . 1 . 2]" 1
1531 1 79 ARG HA 1 79 ARG QG 3.400 . 3.400 2.800 2.326 3.332 . 0 0 "[ . 1 . 2]" 1
1532 1 79 ARG HA 1 79 ARG HG3 4.010 . 4.010 3.479 2.928 3.884 . 0 0 "[ . 1 . 2]" 1
1533 1 79 ARG HA 1 81 THR H 5.010 . 5.010 4.263 3.868 4.827 . 0 0 "[ . 1 . 2]" 1
1534 1 79 ARG QB 1 80 GLU H 3.140 . 3.140 2.827 2.531 3.410 0.270 10 0 "[ . 1 . 2]" 1
1535 1 79 ARG QB 1 82 ALA H 5.340 . 5.340 4.763 4.445 5.177 . 0 0 "[ . 1 . 2]" 1
1536 1 80 GLU H 1 80 GLU QG 3.300 . 3.300 2.311 2.035 2.773 . 0 0 "[ . 1 . 2]" 1
1537 1 80 GLU H 1 81 THR H 3.980 . 3.980 2.432 2.187 2.584 . 0 0 "[ . 1 . 2]" 1
1538 1 80 GLU HA 1 80 GLU QG 3.550 . 3.550 2.981 2.369 3.497 . 0 0 "[ . 1 . 2]" 1
1539 1 80 GLU HA 1 81 THR H 3.550 . 3.550 3.515 3.424 3.563 0.013 16 0 "[ . 1 . 2]" 1
1540 1 80 GLU HA 1 82 ALA MB 4.080 . 4.080 4.123 3.525 4.545 0.465 8 0 "[ . 1 . 2]" 1
1541 1 80 GLU QB 1 81 THR H 3.520 . 3.520 2.938 2.584 3.657 0.137 8 0 "[ . 1 . 2]" 1
1542 1 80 GLU QB 1 82 ALA H 5.340 . 5.340 4.495 4.074 5.030 . 0 0 "[ . 1 . 2]" 1
1543 1 80 GLU QG 1 81 THR H 4.800 . 4.800 3.752 2.141 4.289 . 0 0 "[ . 1 . 2]" 1
1544 1 81 THR H 1 81 THR HB 3.850 . 3.850 2.785 2.267 3.676 . 0 0 "[ . 1 . 2]" 1
1545 1 81 THR H 1 81 THR MG 3.890 . 3.890 3.066 2.067 3.854 . 0 0 "[ . 1 . 2]" 1
1546 1 81 THR H 1 82 ALA H 4.160 . 4.160 2.528 2.245 2.828 . 0 0 "[ . 1 . 2]" 1
1547 1 81 THR H 1 82 ALA MB 4.820 . 4.820 4.243 3.703 4.798 . 0 0 "[ . 1 . 2]" 1
1548 1 81 THR MG 1 82 ALA H 4.020 . 4.020 3.633 2.809 4.278 0.258 9 0 "[ . 1 . 2]" 1
1549 1 82 ALA H 1 82 ALA MB 3.150 . 3.150 2.464 2.116 3.067 . 0 0 "[ . 1 . 2]" 1
1550 1 82 ALA H 1 83 ASP H 5.200 . 5.200 3.080 2.336 4.622 . 0 0 "[ . 1 . 2]" 1
1551 1 82 ALA H 1 83 ASP QB 5.310 . 5.310 4.829 4.321 5.357 0.047 2 0 "[ . 1 . 2]" 1
1552 1 82 ALA MB 1 83 ASP H 3.770 . 3.770 3.104 2.183 3.752 . 0 0 "[ . 1 . 2]" 1
1553 1 83 ASP H 1 83 ASP HB2 3.930 . 3.930 3.061 2.369 3.879 . 0 0 "[ . 1 . 2]" 1
1554 1 83 ASP H 1 83 ASP QB 3.410 . 3.410 2.575 2.278 3.057 . 0 0 "[ . 1 . 2]" 1
1555 1 83 ASP H 1 83 ASP HB3 3.930 . 3.930 3.023 2.556 3.974 0.044 4 0 "[ . 1 . 2]" 1
1556 1 83 ASP H 1 84 THR H 4.620 . 4.620 3.988 2.515 4.637 0.017 9 0 "[ . 1 . 2]" 1
1557 1 83 ASP HA 1 84 THR H 3.490 . 3.490 2.592 2.160 3.460 . 0 0 "[ . 1 . 2]" 1
1558 1 83 ASP QB 1 84 THR H 3.860 . 3.860 3.136 1.955 3.920 0.060 4 0 "[ . 1 . 2]" 1
1559 1 83 ASP HB2 1 84 THR H 4.560 . 4.560 3.678 1.965 4.585 0.025 6 0 "[ . 1 . 2]" 1
1560 1 83 ASP HB3 1 84 THR H 4.560 . 4.560 3.725 2.777 4.500 . 0 0 "[ . 1 . 2]" 1
1561 1 84 THR H 1 84 THR MG 4.030 . 4.030 3.020 2.216 4.065 0.035 5 0 "[ . 1 . 2]" 1
1562 1 84 THR H 1 85 ASP H 4.540 . 4.540 3.892 1.763 4.595 0.055 9 0 "[ . 1 . 2]" 1
1563 1 84 THR HA 1 84 THR MG 3.450 . 3.450 2.654 2.258 3.273 . 0 0 "[ . 1 . 2]" 1
1564 1 84 THR HA 1 85 ASP H 3.160 . 3.160 2.468 2.118 3.149 . 0 0 "[ . 1 . 2]" 1
1565 1 84 THR MG 1 85 ASP H 4.400 . 4.400 3.507 2.430 4.456 0.056 13 0 "[ . 1 . 2]" 1
1566 1 85 ASP H 1 86 THR H 5.340 . 5.340 4.460 2.513 4.707 . 0 0 "[ . 1 . 2]" 1
1567 1 85 ASP QB 1 86 THR H 3.840 . 3.840 3.224 2.282 3.863 0.023 2 0 "[ . 1 . 2]" 1
1568 1 85 ASP QB 1 86 THR HA 5.340 . 5.340 4.604 3.969 4.997 . 0 0 "[ . 1 . 2]" 1
1569 1 85 ASP QB 1 87 ALA H 5.300 . 5.300 3.925 2.246 5.438 0.138 1 0 "[ . 1 . 2]" 1
1570 1 86 THR H 1 86 THR MG 3.900 . 3.900 2.551 2.060 3.467 . 0 0 "[ . 1 . 2]" 1
1571 1 86 THR H 1 87 ALA H 4.980 . 4.980 3.025 1.837 4.505 . 0 0 "[ . 1 . 2]" 1
1572 1 86 THR H 1 87 ALA MB 5.500 . 5.500 4.566 3.507 5.640 0.140 15 0 "[ . 1 . 2]" 1
1573 1 86 THR HA 1 86 THR MG 3.330 . 3.330 2.428 2.191 3.265 . 0 0 "[ . 1 . 2]" 1
1574 1 86 THR HA 1 87 ALA MB 5.220 . 5.220 4.747 3.955 5.030 . 0 0 "[ . 1 . 2]" 1
1575 1 86 THR HB 1 87 ALA H 4.630 . 4.630 3.738 2.618 4.315 . 0 0 "[ . 1 . 2]" 1
1576 1 86 THR MG 1 87 ALA H 4.400 . 4.400 3.883 2.484 4.248 . 0 0 "[ . 1 . 2]" 1
1577 1 87 ALA H 1 87 ALA MB 3.340 . 3.340 2.242 2.189 2.295 . 0 0 "[ . 1 . 2]" 1
1578 1 87 ALA H 1 88 ASP HA 5.500 . 5.500 5.162 4.994 5.355 . 0 0 "[ . 1 . 2]" 1
1579 1 87 ALA H 1 88 ASP HB2 5.500 . 5.500 4.772 4.417 5.176 . 0 0 "[ . 1 . 2]" 1
1580 1 87 ALA H 1 89 GLN HG3 5.500 . 5.500 5.002 4.209 5.506 0.006 15 0 "[ . 1 . 2]" 1
1581 1 87 ALA H 1 90 VAL QG 5.440 . 5.440 4.840 4.295 5.580 0.140 12 0 "[ . 1 . 2]" 1
1582 1 87 ALA HA 1 89 GLN H 4.990 . 4.990 4.072 3.644 4.848 . 0 0 "[ . 1 . 2]" 1
1583 1 87 ALA HA 1 90 VAL H 5.240 . 5.240 3.613 3.353 4.130 . 0 0 "[ . 1 . 2]" 1
1584 1 87 ALA HA 1 90 VAL HB 4.520 . 4.520 4.500 4.000 4.578 0.058 10 0 "[ . 1 . 2]" 1
1585 1 87 ALA HA 1 90 VAL QG 3.380 . 3.380 2.557 2.094 3.800 0.420 20 0 "[ . 1 . 2]" 1
1586 1 87 ALA MB 1 88 ASP H 3.350 . 3.350 2.824 2.466 3.205 . 0 0 "[ . 1 . 2]" 1
1587 1 88 ASP H 1 88 ASP HB2 3.050 . 3.050 2.435 2.137 2.599 . 0 0 "[ . 1 . 2]" 1
1588 1 88 ASP H 1 88 ASP HB3 3.420 . 3.420 2.678 2.385 3.480 0.060 7 0 "[ . 1 . 2]" 1
1589 1 88 ASP H 1 89 GLN H 3.470 . 3.470 2.695 2.534 2.909 . 0 0 "[ . 1 . 2]" 1
1590 1 88 ASP H 1 89 GLN HG3 4.660 . 4.660 4.128 3.503 4.704 0.044 10 0 "[ . 1 . 2]" 1
1591 1 88 ASP H 1 90 VAL QG 4.950 . 4.950 4.608 4.297 4.907 . 0 0 "[ . 1 . 2]" 1
1592 1 88 ASP HA 1 90 VAL H 5.000 . 5.000 4.406 3.826 4.729 . 0 0 "[ . 1 . 2]" 1
1593 1 88 ASP HA 1 91 MET H 5.110 . 5.110 3.409 3.105 4.097 . 0 0 "[ . 1 . 2]" 1
1594 1 88 ASP HA 1 91 MET HB3 4.330 . 4.330 2.496 1.974 3.529 . 0 0 "[ . 1 . 2]" 1
1595 1 88 ASP HA 1 92 ALA H 4.960 . 4.960 3.890 3.658 4.242 . 0 0 "[ . 1 . 2]" 1
1596 1 88 ASP HB2 1 89 GLN H 3.970 . 3.970 3.882 2.976 4.091 0.121 12 0 "[ . 1 . 2]" 1
1597 1 88 ASP HB3 1 89 GLN H 4.420 . 4.420 2.836 2.306 3.647 . 0 0 "[ . 1 . 2]" 1
1598 1 89 GLN H 1 89 GLN HB2 4.110 . 4.110 2.794 2.483 3.635 . 0 0 "[ . 1 . 2]" 1
1599 1 89 GLN H 1 89 GLN HB3 3.830 . 3.830 3.435 2.575 3.639 . 0 0 "[ . 1 . 2]" 1
1600 1 89 GLN H 1 89 GLN HE21 4.780 . 4.780 3.716 3.289 4.788 0.008 2 0 "[ . 1 . 2]" 1
1601 1 89 GLN H 1 89 GLN HE22 5.500 . 5.500 5.162 4.900 5.532 0.032 20 0 "[ . 1 . 2]" 1
1602 1 89 GLN H 1 89 GLN HG2 4.700 . 4.700 3.205 2.056 3.548 . 0 0 "[ . 1 . 2]" 1
1603 1 89 GLN H 1 89 GLN HG3 3.620 . 3.620 2.088 1.747 2.791 . 0 0 "[ . 1 . 2]" 1
1604 1 89 GLN HA 1 89 GLN HE21 4.950 . 4.950 4.794 4.425 5.040 0.090 10 0 "[ . 1 . 2]" 1
1605 1 89 GLN HA 1 89 GLN HG2 4.210 . 4.210 2.976 2.623 4.214 0.004 2 0 "[ . 1 . 2]" 1
1606 1 89 GLN HA 1 89 GLN HG3 3.990 . 3.990 3.274 2.894 3.715 . 0 0 "[ . 1 . 2]" 1
1607 1 89 GLN HA 1 92 ALA H 4.440 . 4.440 3.716 3.245 3.990 . 0 0 "[ . 1 . 2]" 1
1608 1 89 GLN HA 1 92 ALA MB 3.690 . 3.690 2.949 2.369 3.402 . 0 0 "[ . 1 . 2]" 1
1609 1 89 GLN HB2 1 89 GLN HE21 4.400 . 4.400 2.363 1.759 4.155 . 0 0 "[ . 1 . 2]" 1
1610 1 89 GLN HB2 1 89 GLN HE22 4.610 . 4.610 3.593 3.401 4.444 . 0 0 "[ . 1 . 2]" 1
1611 1 89 GLN HB2 1 90 VAL HA 5.120 . 5.120 4.124 3.759 4.435 . 0 0 "[ . 1 . 2]" 1
1612 1 89 GLN HB2 1 90 VAL QG 5.440 . 5.440 3.956 3.467 5.174 . 0 0 "[ . 1 . 2]" 1
1613 1 89 GLN HB3 1 89 GLN HE22 5.330 . 5.330 4.165 3.768 5.297 . 0 0 "[ . 1 . 2]" 1
1614 1 89 GLN HB3 1 89 GLN HG2 2.800 . 2.800 2.419 2.230 2.499 . 0 0 "[ . 1 . 2]" 1
1615 1 89 GLN HB3 1 90 VAL HA 5.500 . 5.500 4.521 4.110 5.574 0.074 20 0 "[ . 1 . 2]" 1
1616 1 89 GLN HE21 1 89 GLN HG3 3.530 . 3.530 2.672 2.065 3.520 . 0 0 "[ . 1 . 2]" 1
1617 1 89 GLN HE21 1 90 VAL QG 4.620 . 4.620 4.437 3.182 5.090 0.470 10 0 "[ . 1 . 2]" 1
1618 1 89 GLN HE22 1 90 VAL QG 5.440 . 5.440 5.336 2.950 5.779 0.339 9 0 "[ . 1 . 2]" 1
1619 1 89 GLN HG3 1 90 VAL H 4.440 . 4.440 3.796 1.949 4.257 . 0 0 "[ . 1 . 2]" 1
1620 1 89 GLN HG3 1 90 VAL QG 5.120 . 5.120 4.911 2.634 5.269 0.149 18 0 "[ . 1 . 2]" 1
1621 1 90 VAL H 1 90 VAL HB 2.910 . 2.910 2.613 2.382 2.773 . 0 0 "[ . 1 . 2]" 1
1622 1 90 VAL H 1 90 VAL MG1 3.830 . 3.830 2.112 1.934 2.383 . 0 0 "[ . 1 . 2]" 1
1623 1 90 VAL H 1 90 VAL QG 2.830 . 2.830 2.101 1.928 2.360 . 0 0 "[ . 1 . 2]" 1
1624 1 90 VAL H 1 90 VAL MG2 3.830 . 3.830 3.800 3.739 3.845 0.015 20 0 "[ . 1 . 2]" 1
1625 1 90 VAL H 1 92 ALA H 4.820 . 4.820 4.020 3.828 4.183 . 0 0 "[ . 1 . 2]" 1
1626 1 90 VAL HA 1 90 VAL MG1 3.700 . 3.700 3.262 3.244 3.284 . 0 0 "[ . 1 . 2]" 1
1627 1 90 VAL HA 1 90 VAL QG 3.140 . 3.140 2.274 2.202 2.331 . 0 0 "[ . 1 . 2]" 1
1628 1 90 VAL HA 1 90 VAL MG2 3.700 . 3.700 2.321 2.240 2.389 . 0 0 "[ . 1 . 2]" 1
1629 1 90 VAL HA 1 93 SER H 4.210 . 4.210 3.323 3.110 3.751 . 0 0 "[ . 1 . 2]" 1
1630 1 90 VAL HA 1 94 PHE H 5.450 . 5.450 4.572 4.181 4.981 . 0 0 "[ . 1 . 2]" 1
1631 1 90 VAL HB 1 94 PHE HE2 5.500 . 5.500 5.253 4.967 5.511 0.011 12 0 "[ . 1 . 2]" 1
1632 1 90 VAL QG 1 91 MET H 3.640 . 3.640 2.348 2.140 2.454 . 0 0 "[ . 1 . 2]" 1
1633 1 90 VAL QG 1 91 MET HA 4.640 . 4.640 3.232 3.127 3.376 . 0 0 "[ . 1 . 2]" 1
1634 1 90 VAL QG 1 91 MET HB2 3.760 . 3.760 3.346 3.156 3.619 . 0 0 "[ . 1 . 2]" 1
1635 1 90 VAL QG 1 92 ALA H 4.090 . 4.090 4.227 4.129 4.290 0.200 5 0 "[ . 1 . 2]" 1
1636 1 90 VAL QG 1 93 SER H 5.150 . 5.150 4.224 4.045 4.638 . 0 0 "[ . 1 . 2]" 1
1637 1 90 VAL QG 1 94 PHE HD2 4.480 . 4.480 3.544 3.318 3.852 . 0 0 "[ . 1 . 2]" 1
1638 1 90 VAL QG 1 94 PHE HE2 3.630 . 3.630 2.393 2.261 2.567 . 0 0 "[ . 1 . 2]" 1
1639 1 90 VAL QG 1 117 GLN HE21 5.440 . 5.440 4.931 4.311 5.262 . 0 0 "[ . 1 . 2]" 1
1640 1 90 VAL QG 1 117 GLN HE22 5.440 . 5.440 5.554 5.039 5.759 0.319 10 0 "[ . 1 . 2]" 1
1641 1 90 VAL QG 1 143 PHE HD2 3.880 . 3.880 3.934 3.575 4.231 0.351 9 0 "[ . 1 . 2]" 1
1642 1 90 VAL QG 1 143 PHE HE2 3.830 . 3.830 2.602 2.193 2.877 . 0 0 "[ . 1 . 2]" 1
1643 1 90 VAL MG1 1 91 MET H 4.620 . 4.620 2.368 2.149 2.476 . 0 0 "[ . 1 . 2]" 1
1644 1 90 VAL MG1 1 91 MET HB2 5.060 . 5.060 3.395 3.191 3.702 . 0 0 "[ . 1 . 2]" 1
1645 1 90 VAL MG1 1 92 ALA H 5.500 . 5.500 4.464 4.265 4.555 . 0 0 "[ . 1 . 2]" 1
1646 1 90 VAL MG1 1 94 PHE HE2 4.740 . 4.740 3.070 2.785 3.393 . 0 0 "[ . 1 . 2]" 1
1647 1 90 VAL MG1 1 143 PHE HD2 5.150 . 5.150 4.106 3.685 4.584 . 0 0 "[ . 1 . 2]" 1
1648 1 90 VAL MG1 1 143 PHE HE2 4.610 . 4.610 2.645 2.220 2.928 . 0 0 "[ . 1 . 2]" 1
1649 1 90 VAL MG2 1 91 MET H 4.620 . 4.620 3.904 3.797 4.047 . 0 0 "[ . 1 . 2]" 1
1650 1 90 VAL MG2 1 91 MET HB2 5.060 . 5.060 5.082 4.953 5.169 0.109 11 0 "[ . 1 . 2]" 1
1651 1 90 VAL MG2 1 92 ALA H 5.500 . 5.500 5.244 5.052 5.508 0.008 12 0 "[ . 1 . 2]" 1
1652 1 90 VAL MG2 1 94 PHE HE2 4.740 . 4.740 2.507 2.319 2.743 . 0 0 "[ . 1 . 2]" 1
1653 1 90 VAL MG2 1 143 PHE HD2 5.150 . 5.150 5.080 4.755 5.272 0.122 7 0 "[ . 1 . 2]" 1
1654 1 90 VAL MG2 1 143 PHE HE2 4.610 . 4.610 3.963 3.413 4.436 . 0 0 "[ . 1 . 2]" 1
1655 1 91 MET H 1 91 MET HB2 2.910 . 2.910 2.626 2.451 2.905 . 0 0 "[ . 1 . 2]" 1
1656 1 91 MET H 1 91 MET HG2 4.870 . 4.870 4.460 4.233 4.602 . 0 0 "[ . 1 . 2]" 1
1657 1 91 MET H 1 91 MET HG3 5.170 . 5.170 4.425 4.377 4.479 . 0 0 "[ . 1 . 2]" 1
1658 1 91 MET H 1 92 ALA H 3.560 . 3.560 2.569 2.356 2.659 . 0 0 "[ . 1 . 2]" 1
1659 1 91 MET H 1 92 ALA MB 4.510 . 4.510 4.245 4.039 4.325 . 0 0 "[ . 1 . 2]" 1
1660 1 91 MET H 1 93 SER H 4.260 . 4.260 4.110 3.921 4.274 0.014 11 0 "[ . 1 . 2]" 1
1661 1 91 MET H 1 94 PHE H 5.110 . 5.110 5.027 4.889 5.159 0.049 11 0 "[ . 1 . 2]" 1
1662 1 91 MET HA 1 91 MET HG3 3.950 . 3.950 2.719 2.508 2.955 . 0 0 "[ . 1 . 2]" 1
1663 1 91 MET HA 1 94 PHE H 3.960 . 3.960 3.423 3.249 3.606 . 0 0 "[ . 1 . 2]" 1
1664 1 91 MET HA 1 94 PHE HB2 4.460 . 4.460 3.249 2.957 3.524 . 0 0 "[ . 1 . 2]" 1
1665 1 91 MET HA 1 94 PHE HD2 3.590 . 3.590 2.168 2.025 2.341 . 0 0 "[ . 1 . 2]" 1
1666 1 91 MET HA 1 94 PHE HE2 4.470 . 4.470 3.607 3.411 3.775 . 0 0 "[ . 1 . 2]" 1
1667 1 91 MET HA 1 140 TYR HD2 4.690 . 4.690 4.059 3.478 4.614 . 0 0 "[ . 1 . 2]" 1
1668 1 91 MET HB2 1 92 ALA H 4.030 . 4.030 3.950 3.876 4.053 0.023 15 0 "[ . 1 . 2]" 1
1669 1 91 MET HB2 1 94 PHE HD2 4.280 . 4.280 4.159 3.675 4.312 0.032 3 0 "[ . 1 . 2]" 1
1670 1 91 MET HB2 1 94 PHE HE2 4.940 . 4.940 4.902 4.515 5.032 0.092 13 0 "[ . 1 . 2]" 1
1671 1 91 MET HB2 1 143 PHE HD2 4.430 . 4.430 3.854 2.944 4.483 0.053 13 0 "[ . 1 . 2]" 1
1672 1 91 MET HB2 1 144 SER H 5.500 . 5.500 5.280 4.647 5.562 0.062 1 0 "[ . 1 . 2]" 1
1673 1 91 MET HB3 1 92 ALA H 4.560 . 4.560 2.656 2.562 2.769 . 0 0 "[ . 1 . 2]" 1
1674 1 91 MET ME 1 94 PHE HD2 3.990 . 3.990 2.614 1.927 3.766 . 0 0 "[ . 1 . 2]" 1
1675 1 91 MET ME 1 94 PHE HE2 4.810 . 4.810 3.855 3.060 4.892 0.082 11 0 "[ . 1 . 2]" 1
1676 1 91 MET ME 1 140 TYR HA 4.030 . 4.030 3.609 2.866 4.242 0.212 17 0 "[ . 1 . 2]" 1
1677 1 91 MET ME 1 140 TYR HD2 3.290 . 3.290 2.269 1.874 2.943 . 0 0 "[ . 1 . 2]" 1
1678 1 91 MET ME 1 140 TYR HE2 4.130 . 4.130 3.635 3.108 4.166 0.036 5 0 "[ . 1 . 2]" 1
1679 1 91 MET ME 1 141 MET HA 4.350 . 4.350 3.255 2.149 3.934 . 0 0 "[ . 1 . 2]" 1
1680 1 91 MET ME 1 142 SER H 4.840 . 4.840 4.722 4.222 4.966 0.126 13 0 "[ . 1 . 2]" 1
1681 1 91 MET ME 1 143 PHE H 3.930 . 3.930 3.575 3.106 3.891 . 0 0 "[ . 1 . 2]" 1
1682 1 91 MET ME 1 143 PHE HB2 4.860 . 4.860 3.870 3.274 4.696 . 0 0 "[ . 1 . 2]" 1
1683 1 91 MET ME 1 143 PHE HB3 4.650 . 4.650 2.482 2.062 3.283 . 0 0 "[ . 1 . 2]" 1
1684 1 91 MET ME 1 143 PHE HD2 3.680 . 3.680 2.302 1.953 3.247 . 0 0 "[ . 1 . 2]" 1
1685 1 91 MET HG2 1 92 ALA H 4.690 . 4.690 4.080 3.369 4.652 . 0 0 "[ . 1 . 2]" 1
1686 1 91 MET HG3 1 92 ALA H 4.890 . 4.890 4.022 3.795 4.359 . 0 0 "[ . 1 . 2]" 1
1687 1 91 MET HG3 1 93 SER H 5.500 . 5.500 5.499 5.393 5.543 0.043 10 0 "[ . 1 . 2]" 1
1688 1 91 MET HG3 1 94 PHE HD2 4.520 . 4.520 4.093 3.678 4.499 . 0 0 "[ . 1 . 2]" 1
1689 1 91 MET HG3 1 95 LYS H 4.910 . 4.910 4.175 3.762 4.705 . 0 0 "[ . 1 . 2]" 1
1690 1 91 MET HG3 1 140 TYR HD2 4.300 . 4.300 3.577 2.878 4.346 0.046 18 0 "[ . 1 . 2]" 1
1691 1 91 MET HG3 1 140 TYR HE2 4.730 . 4.730 3.746 2.791 4.742 0.012 18 0 "[ . 1 . 2]" 1
1692 1 92 ALA H 1 92 ALA MB 2.750 . 2.750 2.232 2.210 2.256 . 0 0 "[ . 1 . 2]" 1
1693 1 92 ALA HA 1 95 LYS H 4.000 . 4.000 3.454 3.202 3.842 . 0 0 "[ . 1 . 2]" 1
1694 1 92 ALA HA 1 95 LYS HB2 4.450 . 4.450 3.110 2.542 3.946 . 0 0 "[ . 1 . 2]" 1
1695 1 92 ALA HA 1 95 LYS HB3 4.500 . 4.500 2.832 2.462 3.671 . 0 0 "[ . 1 . 2]" 1
1696 1 92 ALA MB 1 93 SER H 3.340 . 3.340 2.637 2.517 2.702 . 0 0 "[ . 1 . 2]" 1
1697 1 93 SER H 1 93 SER QB 3.260 . 3.260 2.457 2.219 2.593 . 0 0 "[ . 1 . 2]" 1
1698 1 93 SER H 1 96 ILE MD 4.480 . 4.480 4.315 3.823 4.516 0.036 14 0 "[ . 1 . 2]" 1
1699 1 93 SER HA 1 96 ILE H 4.080 . 4.080 3.564 3.375 3.718 . 0 0 "[ . 1 . 2]" 1
1700 1 93 SER HA 1 96 ILE HB 3.820 . 3.820 3.363 2.886 3.800 . 0 0 "[ . 1 . 2]" 1
1701 1 93 SER HA 1 96 ILE MD 3.710 . 3.710 2.118 1.973 2.332 . 0 0 "[ . 1 . 2]" 1
1702 1 93 SER HA 1 96 ILE HG13 4.050 . 4.050 3.456 2.780 3.945 . 0 0 "[ . 1 . 2]" 1
1703 1 93 SER HA 1 96 ILE MG 4.740 . 4.740 4.569 4.252 4.771 0.031 10 0 "[ . 1 . 2]" 1
1704 1 93 SER QB 1 96 ILE MD 3.930 . 3.930 3.637 3.336 3.864 . 0 0 "[ . 1 . 2]" 1
1705 1 93 SER HB2 1 96 ILE MD 4.590 . 4.590 4.295 3.599 4.783 0.193 17 0 "[ . 1 . 2]" 1
1706 1 93 SER HB3 1 96 ILE MD 4.590 . 4.590 4.046 3.487 4.718 0.128 9 0 "[ . 1 . 2]" 1
1707 1 94 PHE H 1 94 PHE HB2 3.480 . 3.480 2.550 2.460 2.613 . 0 0 "[ . 1 . 2]" 1
1708 1 94 PHE H 1 94 PHE HB3 3.670 . 3.670 3.632 3.596 3.664 . 0 0 "[ . 1 . 2]" 1
1709 1 94 PHE H 1 94 PHE HD1 4.230 . 4.230 3.762 3.486 4.031 . 0 0 "[ . 1 . 2]" 1
1710 1 94 PHE H 1 94 PHE HD2 4.470 . 4.470 3.421 3.225 3.657 . 0 0 "[ . 1 . 2]" 1
1711 1 94 PHE H 1 94 PHE HE2 5.500 . 5.500 4.968 4.763 5.138 . 0 0 "[ . 1 . 2]" 1
1712 1 94 PHE H 1 140 TYR HD2 5.410 . 5.410 4.935 4.766 5.052 . 0 0 "[ . 1 . 2]" 1
1713 1 94 PHE H 1 140 TYR HE2 5.500 . 5.500 5.479 5.265 5.541 0.041 7 0 "[ . 1 . 2]" 1
1714 1 94 PHE HA 1 94 PHE HD1 3.200 . 3.200 2.216 2.127 2.313 . 0 0 "[ . 1 . 2]" 1
1715 1 94 PHE HA 1 94 PHE HE1 4.650 . 4.650 4.611 4.542 4.672 0.022 6 0 "[ . 1 . 2]" 1
1716 1 94 PHE HA 1 97 LEU H 3.660 . 3.660 3.407 3.312 3.502 . 0 0 "[ . 1 . 2]" 1
1717 1 94 PHE HA 1 97 LEU HB2 5.500 . 5.500 5.315 5.080 5.498 . 0 0 "[ . 1 . 2]" 1
1718 1 94 PHE HA 1 97 LEU HB3 4.160 . 4.160 4.123 3.758 4.203 0.043 13 0 "[ . 1 . 2]" 1
1719 1 94 PHE HA 1 97 LEU MD1 4.540 . 4.540 4.305 4.080 4.530 . 0 0 "[ . 1 . 2]" 1
1720 1 94 PHE HA 1 97 LEU MD2 4.180 . 4.180 2.357 2.181 2.489 . 0 0 "[ . 1 . 2]" 1
1721 1 94 PHE HA 1 97 LEU HG 3.460 . 3.460 3.000 2.751 3.234 . 0 0 "[ . 1 . 2]" 1
1722 1 94 PHE HA 1 98 ALA H 4.720 . 4.720 3.945 3.787 4.157 . 0 0 "[ . 1 . 2]" 1
1723 1 94 PHE HA 1 104 ILE MD 4.130 . 4.130 2.964 2.727 3.200 . 0 0 "[ . 1 . 2]" 1
1724 1 94 PHE HA 1 140 TYR HD2 5.460 . 5.460 5.248 5.000 5.437 . 0 0 "[ . 1 . 2]" 1
1725 1 94 PHE HB2 1 94 PHE HD2 3.350 . 3.350 2.324 2.289 2.350 . 0 0 "[ . 1 . 2]" 1
1726 1 94 PHE HB2 1 94 PHE HE2 4.880 . 4.880 4.651 4.618 4.687 . 0 0 "[ . 1 . 2]" 1
1727 1 94 PHE HB2 1 95 LYS H 3.430 . 3.430 2.608 2.429 2.762 . 0 0 "[ . 1 . 2]" 1
1728 1 94 PHE HB2 1 96 ILE H 5.090 . 5.090 4.851 4.779 4.928 . 0 0 "[ . 1 . 2]" 1
1729 1 94 PHE HB2 1 97 LEU H 5.500 . 5.500 5.543 5.513 5.569 0.069 5 0 "[ . 1 . 2]" 1
1730 1 94 PHE HB2 1 140 TYR HD2 3.460 . 3.460 2.526 2.374 2.744 . 0 0 "[ . 1 . 2]" 1
1731 1 94 PHE HB3 1 94 PHE HD1 3.670 . 3.670 2.939 2.824 3.069 . 0 0 "[ . 1 . 2]" 1
1732 1 94 PHE HB3 1 95 LYS H 3.880 . 3.880 3.727 3.556 3.822 . 0 0 "[ . 1 . 2]" 1
1733 1 94 PHE HB3 1 96 ILE H 5.290 . 5.290 5.253 5.121 5.311 0.021 13 0 "[ . 1 . 2]" 1
1734 1 94 PHE HB3 1 97 LEU H 5.420 . 5.420 5.130 4.989 5.260 . 0 0 "[ . 1 . 2]" 1
1735 1 94 PHE HB3 1 97 LEU MD2 4.420 . 4.420 3.979 3.813 4.142 . 0 0 "[ . 1 . 2]" 1
1736 1 94 PHE HB3 1 104 ILE MD 4.120 . 4.120 2.284 2.111 2.548 . 0 0 "[ . 1 . 2]" 1
1737 1 94 PHE HB3 1 104 ILE HG13 5.500 . 5.500 5.159 4.969 5.406 . 0 0 "[ . 1 . 2]" 1
1738 1 94 PHE HB3 1 104 ILE MG 4.710 . 4.710 4.081 3.899 4.222 . 0 0 "[ . 1 . 2]" 1
1739 1 94 PHE HB3 1 140 TYR HA 5.500 . 5.500 5.306 4.982 5.468 . 0 0 "[ . 1 . 2]" 1
1740 1 94 PHE HB3 1 140 TYR HD2 3.880 . 3.880 3.133 2.854 3.355 . 0 0 "[ . 1 . 2]" 1
1741 1 94 PHE HD1 1 97 LEU H 5.480 . 5.480 5.423 5.192 5.534 0.054 13 0 "[ . 1 . 2]" 1
1742 1 94 PHE HD1 1 97 LEU MD1 4.830 . 4.830 4.486 4.180 4.758 . 0 0 "[ . 1 . 2]" 1
1743 1 94 PHE HD1 1 97 LEU MD2 3.320 . 3.320 2.589 2.269 2.852 . 0 0 "[ . 1 . 2]" 1
1744 1 94 PHE HD1 1 97 LEU HG 4.430 . 4.430 4.142 3.915 4.358 . 0 0 "[ . 1 . 2]" 1
1745 1 94 PHE HD1 1 104 ILE MD 3.740 . 3.740 2.835 2.433 3.533 . 0 0 "[ . 1 . 2]" 1
1746 1 94 PHE HD2 1 95 LYS H 4.650 . 4.650 4.530 4.369 4.677 0.027 18 0 "[ . 1 . 2]" 1
1747 1 94 PHE HD2 1 125 MET ME 4.050 . 4.050 3.621 3.429 3.963 . 0 0 "[ . 1 . 2]" 1
1748 1 94 PHE HD2 1 140 TYR HA 5.320 . 5.320 4.963 4.448 5.244 . 0 0 "[ . 1 . 2]" 1
1749 1 94 PHE HE1 1 97 LEU MD2 4.340 . 4.340 4.095 3.703 4.372 0.032 13 0 "[ . 1 . 2]" 1
1750 1 94 PHE HE1 1 109 LEU MD1 4.420 . 4.420 3.366 2.926 3.754 . 0 0 "[ . 1 . 2]" 1
1751 1 94 PHE HE1 1 121 CYS HB3 5.500 . 5.500 4.726 4.113 5.165 . 0 0 "[ . 1 . 2]" 1
1752 1 94 PHE HE1 1 125 MET ME 5.500 . 5.500 3.705 3.071 4.611 . 0 0 "[ . 1 . 2]" 1
1753 1 94 PHE HE2 1 125 MET ME 5.500 . 5.500 2.731 2.218 3.098 . 0 0 "[ . 1 . 2]" 1
1754 1 94 PHE HE2 1 125 MET HG3 5.500 . 5.500 5.219 4.779 5.560 0.060 13 0 "[ . 1 . 2]" 1
1755 1 95 LYS H 1 95 LYS HB2 2.680 . 2.680 2.283 2.101 2.435 . 0 0 "[ . 1 . 2]" 1
1756 1 95 LYS H 1 95 LYS HB3 3.990 . 3.990 2.652 2.542 2.743 . 0 0 "[ . 1 . 2]" 1
1757 1 95 LYS H 1 95 LYS HG2 4.950 . 4.950 4.554 4.455 4.675 . 0 0 "[ . 1 . 2]" 1
1758 1 95 LYS H 1 95 LYS HG3 5.250 . 5.250 4.332 4.185 4.430 . 0 0 "[ . 1 . 2]" 1
1759 1 95 LYS H 1 96 ILE H 3.300 . 3.300 2.708 2.610 2.827 . 0 0 "[ . 1 . 2]" 1
1760 1 95 LYS H 1 104 ILE MD 5.500 . 5.500 5.015 4.886 5.169 . 0 0 "[ . 1 . 2]" 1
1761 1 95 LYS H 1 140 TYR HD2 4.210 . 4.210 4.123 3.952 4.226 0.016 13 0 "[ . 1 . 2]" 1
1762 1 95 LYS H 1 140 TYR HE2 4.320 . 4.320 3.493 3.311 3.640 . 0 0 "[ . 1 . 2]" 1
1763 1 95 LYS HA 1 95 LYS HG2 4.170 . 4.170 3.117 2.738 3.477 . 0 0 "[ . 1 . 2]" 1
1764 1 95 LYS HA 1 97 LEU H 4.670 . 4.670 4.438 4.337 4.548 . 0 0 "[ . 1 . 2]" 1
1765 1 95 LYS HA 1 98 ALA MB 3.620 . 3.620 3.038 2.460 3.617 . 0 0 "[ . 1 . 2]" 1
1766 1 95 LYS HA 1 140 TYR HE2 3.910 . 3.910 2.474 2.112 2.754 . 0 0 "[ . 1 . 2]" 1
1767 1 95 LYS HB2 1 96 ILE H 4.440 . 4.440 3.975 3.856 4.083 . 0 0 "[ . 1 . 2]" 1
1768 1 95 LYS HB2 1 140 TYR HD2 4.360 . 4.360 4.233 3.855 4.382 0.022 13 0 "[ . 1 . 2]" 1
1769 1 95 LYS HB2 1 140 TYR HE2 3.630 . 3.630 2.497 2.154 2.849 . 0 0 "[ . 1 . 2]" 1
1770 1 95 LYS HB3 1 96 ILE H 3.090 . 3.090 3.022 2.742 3.128 0.038 9 0 "[ . 1 . 2]" 1
1771 1 95 LYS QE 1 140 TYR HE2 3.990 . 3.990 3.240 2.241 4.143 0.153 17 0 "[ . 1 . 2]" 1
1772 1 95 LYS HG2 1 99 GLY H 5.500 . 5.500 5.200 4.469 5.513 0.013 3 0 "[ . 1 . 2]" 1
1773 1 95 LYS HG3 1 99 GLY H 5.500 . 5.500 5.310 4.308 5.570 0.070 13 0 "[ . 1 . 2]" 1
1774 1 95 LYS HG3 1 140 TYR HE2 3.840 . 3.840 2.876 2.480 3.466 . 0 0 "[ . 1 . 2]" 1
1775 1 96 ILE H 1 96 ILE HB 3.190 . 3.190 2.467 2.366 2.566 . 0 0 "[ . 1 . 2]" 1
1776 1 96 ILE H 1 96 ILE MD 3.510 . 3.510 3.447 3.236 3.541 0.031 11 0 "[ . 1 . 2]" 1
1777 1 96 ILE H 1 96 ILE HG12 4.050 . 4.050 3.784 3.565 3.991 . 0 0 "[ . 1 . 2]" 1
1778 1 96 ILE H 1 96 ILE HG13 3.090 . 3.090 2.402 2.188 2.681 . 0 0 "[ . 1 . 2]" 1
1779 1 96 ILE H 1 96 ILE MG 3.830 . 3.830 3.812 3.755 3.848 0.018 19 0 "[ . 1 . 2]" 1
1780 1 96 ILE H 1 97 LEU H 3.100 . 3.100 2.472 2.277 2.656 . 0 0 "[ . 1 . 2]" 1
1781 1 96 ILE H 1 97 LEU HG 5.280 . 5.280 4.872 4.682 5.109 . 0 0 "[ . 1 . 2]" 1
1782 1 96 ILE H 1 98 ALA H 3.720 . 3.720 3.767 3.725 3.840 0.120 17 0 "[ . 1 . 2]" 1
1783 1 96 ILE H 1 99 GLY H 5.140 . 5.140 4.783 4.342 4.983 . 0 0 "[ . 1 . 2]" 1
1784 1 96 ILE H 1 104 ILE MD 5.500 . 5.500 5.446 5.226 5.574 0.074 13 0 "[ . 1 . 2]" 1
1785 1 96 ILE H 1 140 TYR HE2 5.500 . 5.500 5.423 5.202 5.545 0.045 13 0 "[ . 1 . 2]" 1
1786 1 96 ILE HA 1 96 ILE MD 4.570 . 4.570 3.929 3.876 3.978 . 0 0 "[ . 1 . 2]" 1
1787 1 96 ILE HA 1 96 ILE HG12 3.550 . 3.550 2.690 2.624 2.777 . 0 0 "[ . 1 . 2]" 1
1788 1 96 ILE HA 1 96 ILE HG13 3.770 . 3.770 2.798 2.652 2.992 . 0 0 "[ . 1 . 2]" 1
1789 1 96 ILE HA 1 96 ILE MG 3.180 . 3.180 2.489 2.437 2.552 . 0 0 "[ . 1 . 2]" 1
1790 1 96 ILE HA 1 99 GLY H 5.000 . 5.000 4.014 3.841 4.276 . 0 0 "[ . 1 . 2]" 1
1791 1 96 ILE HB 1 96 ILE MD 3.150 . 3.150 2.327 2.291 2.373 . 0 0 "[ . 1 . 2]" 1
1792 1 96 ILE HB 1 97 LEU H 3.140 . 3.140 2.648 2.447 2.819 . 0 0 "[ . 1 . 2]" 1
1793 1 96 ILE HG12 1 96 ILE MG 3.110 . 3.110 2.290 2.222 2.373 . 0 0 "[ . 1 . 2]" 1
1794 1 96 ILE HG13 1 96 ILE MG 3.320 . 3.320 3.206 3.167 3.250 . 0 0 "[ . 1 . 2]" 1
1795 1 96 ILE HG13 1 97 LEU H 5.080 . 5.080 4.342 4.102 4.553 . 0 0 "[ . 1 . 2]" 1
1796 1 96 ILE MG 1 97 LEU H 3.850 . 3.850 3.450 3.318 3.561 . 0 0 "[ . 1 . 2]" 1
1797 1 96 ILE MG 1 97 LEU HA 3.830 . 3.830 3.314 3.103 3.454 . 0 0 "[ . 1 . 2]" 1
1798 1 97 LEU H 1 97 LEU HB2 3.780 . 3.780 3.615 3.549 3.647 . 0 0 "[ . 1 . 2]" 1
1799 1 97 LEU H 1 97 LEU HB3 3.280 . 3.280 2.401 2.234 2.464 . 0 0 "[ . 1 . 2]" 1
1800 1 97 LEU H 1 97 LEU MD1 4.260 . 4.260 4.143 4.055 4.185 . 0 0 "[ . 1 . 2]" 1
1801 1 97 LEU H 1 97 LEU MD2 3.410 . 3.410 3.102 2.935 3.299 . 0 0 "[ . 1 . 2]" 1
1802 1 97 LEU H 1 97 LEU HG 3.030 . 3.030 2.841 2.736 2.966 . 0 0 "[ . 1 . 2]" 1
1803 1 97 LEU H 1 98 ALA H 2.950 . 2.950 2.352 2.302 2.468 . 0 0 "[ . 1 . 2]" 1
1804 1 97 LEU H 1 98 ALA MB 4.020 . 4.020 4.067 3.940 4.175 0.155 3 0 "[ . 1 . 2]" 1
1805 1 97 LEU H 1 104 ILE MD 4.420 . 4.420 4.325 4.169 4.410 . 0 0 "[ . 1 . 2]" 1
1806 1 97 LEU HA 1 97 LEU MD1 3.510 . 3.510 3.515 3.415 3.556 0.046 11 0 "[ . 1 . 2]" 1
1807 1 97 LEU HB2 1 97 LEU MD1 3.150 . 3.150 2.139 2.066 2.200 . 0 0 "[ . 1 . 2]" 1
1808 1 97 LEU HB2 1 98 ALA H 4.560 . 4.560 4.215 4.112 4.308 . 0 0 "[ . 1 . 2]" 1
1809 1 97 LEU HB2 1 104 ILE MD 4.270 . 4.270 4.420 4.359 4.484 0.214 7 0 "[ . 1 . 2]" 1
1810 1 97 LEU HB3 1 97 LEU MD2 2.800 . 2.800 2.131 2.093 2.160 . 0 0 "[ . 1 . 2]" 1
1811 1 97 LEU HB3 1 98 ALA H 4.350 . 4.350 3.865 3.716 3.992 . 0 0 "[ . 1 . 2]" 1
1812 1 97 LEU HB3 1 99 GLY H 5.500 . 5.500 5.507 5.427 5.606 0.106 17 0 "[ . 1 . 2]" 1
1813 1 97 LEU HB3 1 104 ILE MD 4.440 . 4.440 4.400 4.207 4.465 0.025 20 0 "[ . 1 . 2]" 1
1814 1 97 LEU MD1 1 98 ALA HA 4.300 . 4.300 3.210 2.983 3.476 . 0 0 "[ . 1 . 2]" 1
1815 1 97 LEU MD1 1 99 GLY H 5.070 . 5.070 4.986 4.820 5.113 0.043 9 0 "[ . 1 . 2]" 1
1816 1 97 LEU MD1 1 108 GLU HB2 4.100 . 4.100 3.282 3.032 3.442 . 0 0 "[ . 1 . 2]" 1
1817 1 97 LEU MD1 1 108 GLU HB3 4.300 . 4.300 2.009 1.939 2.110 . 0 0 "[ . 1 . 2]" 1
1818 1 97 LEU MD1 1 108 GLU QG 4.570 . 4.570 3.237 2.692 3.653 . 0 0 "[ . 1 . 2]" 1
1819 1 97 LEU MD1 1 109 LEU H 4.230 . 4.230 4.267 3.985 4.431 0.201 1 0 "[ . 1 . 2]" 1
1820 1 97 LEU MD2 1 108 GLU HB3 3.890 . 3.890 3.545 3.118 3.884 . 0 0 "[ . 1 . 2]" 1
1821 1 97 LEU MD2 1 111 ARG H 5.180 . 5.180 4.872 4.463 5.210 0.030 9 0 "[ . 1 . 2]" 1
1822 1 97 LEU MD2 1 112 GLU H 4.400 . 4.400 4.302 4.007 4.489 0.089 8 0 "[ . 1 . 2]" 1
1823 1 97 LEU MD2 1 112 GLU HB2 4.140 . 4.140 4.042 3.463 4.159 0.019 4 0 "[ . 1 . 2]" 1
1824 1 97 LEU MD2 1 112 GLU HB3 4.310 . 4.310 4.233 4.077 4.406 0.096 12 0 "[ . 1 . 2]" 1
1825 1 97 LEU MD2 1 112 GLU HG2 4.330 . 4.330 2.697 2.412 3.657 . 0 0 "[ . 1 . 2]" 1
1826 1 97 LEU MD2 1 112 GLU QG 3.680 . 3.680 2.161 2.015 2.355 . 0 0 "[ . 1 . 2]" 1
1827 1 97 LEU MD2 1 112 GLU HG3 4.330 . 4.330 2.291 2.075 2.467 . 0 0 "[ . 1 . 2]" 1
1828 1 97 LEU HG 1 98 ALA H 3.100 . 3.100 2.483 2.316 2.632 . 0 0 "[ . 1 . 2]" 1
1829 1 97 LEU HG 1 99 GLY H 4.870 . 4.870 4.756 4.674 4.871 0.001 12 0 "[ . 1 . 2]" 1
1830 1 98 ALA H 1 98 ALA HA 2.920 . 2.920 2.944 2.894 2.974 0.054 7 0 "[ . 1 . 2]" 1
1831 1 98 ALA H 1 98 ALA MB 2.640 . 2.640 2.256 2.118 2.323 . 0 0 "[ . 1 . 2]" 1
1832 1 98 ALA H 1 99 GLY H 3.210 . 3.210 2.459 2.275 2.559 . 0 0 "[ . 1 . 2]" 1
1833 1 98 ALA H 1 104 ILE MD 3.420 . 3.420 3.344 2.813 3.467 0.047 1 0 "[ . 1 . 2]" 1
1834 1 98 ALA HA 1 103 TYR H 5.500 . 5.500 5.168 4.809 5.541 0.041 9 0 "[ . 1 . 2]" 1
1835 1 98 ALA HA 1 104 ILE MD 4.070 . 4.070 3.310 2.521 3.989 . 0 0 "[ . 1 . 2]" 1
1836 1 98 ALA HA 1 140 TYR HE1 5.380 . 5.380 4.758 4.567 5.041 . 0 0 "[ . 1 . 2]" 1
1837 1 98 ALA MB 1 99 GLY H 3.460 . 3.460 3.216 2.343 3.500 0.040 18 0 "[ . 1 . 2]" 1
1838 1 98 ALA MB 1 100 ASP H 5.320 . 5.320 4.271 3.929 4.837 . 0 0 "[ . 1 . 2]" 1
1839 1 98 ALA MB 1 101 LYS H 4.280 . 4.280 3.574 3.064 4.033 . 0 0 "[ . 1 . 2]" 1
1840 1 98 ALA MB 1 104 ILE HA 4.200 . 4.200 3.469 3.138 3.982 . 0 0 "[ . 1 . 2]" 1
1841 1 98 ALA MB 1 140 TYR H 5.220 . 5.220 4.876 4.668 5.107 . 0 0 "[ . 1 . 2]" 1
1842 1 98 ALA MB 1 140 TYR HD1 3.630 . 3.630 2.980 2.796 3.247 . 0 0 "[ . 1 . 2]" 1
1843 1 98 ALA MB 1 140 TYR HE1 3.130 . 3.130 2.399 2.176 2.561 . 0 0 "[ . 1 . 2]" 1
1844 1 98 ALA MB 1 141 MET H 5.330 . 5.330 5.173 4.856 5.436 0.106 11 0 "[ . 1 . 2]" 1
1845 1 99 GLY H 1 99 GLY HA3 2.940 . 2.940 2.341 2.262 2.754 . 0 0 "[ . 1 . 2]" 1
1846 1 99 GLY H 1 100 ASP H 4.500 . 4.500 2.793 2.386 4.248 . 0 0 "[ . 1 . 2]" 1
1847 1 99 GLY H 1 100 ASP HA 5.500 . 5.500 5.315 5.078 5.862 0.362 17 0 "[ . 1 . 2]" 1
1848 1 99 GLY H 1 104 ILE MD 5.340 . 5.340 5.077 4.341 5.280 . 0 0 "[ . 1 . 2]" 1
1849 1 99 GLY H 1 140 TYR HE1 5.460 . 5.460 5.436 4.670 5.583 0.123 13 0 "[ . 1 . 2]" 1
1850 1 99 GLY HA2 1 101 LYS H 4.810 . 4.810 3.799 3.562 4.287 . 0 0 "[ . 1 . 2]" 1
1851 1 99 GLY HA2 1 140 TYR HE1 5.500 . 5.500 4.854 4.559 5.650 0.150 17 0 "[ . 1 . 2]" 1
1852 1 99 GLY HA3 1 101 LYS H 5.090 . 5.090 4.440 3.845 4.581 . 0 0 "[ . 1 . 2]" 1
1853 1 100 ASP H 1 101 LYS H 3.970 . 3.970 2.600 2.373 2.727 . 0 0 "[ . 1 . 2]" 1
1854 1 100 ASP H 1 101 LYS QG 5.290 . 5.290 4.254 3.953 4.448 . 0 0 "[ . 1 . 2]" 1
1855 1 101 LYS H 1 101 LYS HB2 3.250 . 3.250 2.711 2.517 2.819 . 0 0 "[ . 1 . 2]" 1
1856 1 101 LYS H 1 101 LYS HD3 5.500 . 5.500 5.414 5.168 5.483 . 0 0 "[ . 1 . 2]" 1
1857 1 101 LYS H 1 101 LYS HE2 5.050 . 5.050 4.660 4.252 5.012 . 0 0 "[ . 1 . 2]" 1
1858 1 101 LYS H 1 101 LYS QG 2.950 . 2.950 2.918 2.679 2.976 0.026 8 0 "[ . 1 . 2]" 1
1859 1 101 LYS H 1 103 TYR H 4.870 . 4.870 4.287 4.053 4.637 . 0 0 "[ . 1 . 2]" 1
1860 1 101 LYS H 1 104 ILE MD 5.470 . 5.470 5.791 5.574 5.962 0.492 11 0 "[ . 1 . 2]" 1
1861 1 101 LYS HA 1 101 LYS QG 3.630 . 3.630 2.456 2.399 2.513 . 0 0 "[ . 1 . 2]" 1
1862 1 101 LYS HA 1 103 TYR H 4.480 . 4.480 4.153 3.637 4.424 . 0 0 "[ . 1 . 2]" 1
1863 1 101 LYS HB2 1 101 LYS HE2 4.510 . 4.510 2.235 2.112 2.382 . 0 0 "[ . 1 . 2]" 1
1864 1 101 LYS HB2 1 101 LYS HE3 4.150 . 4.150 3.813 3.707 3.924 . 0 0 "[ . 1 . 2]" 1
1865 1 101 LYS HB2 1 103 TYR H 3.390 . 3.390 2.458 2.295 2.964 . 0 0 "[ . 1 . 2]" 1
1866 1 101 LYS HB3 1 101 LYS HE3 4.710 . 4.710 4.078 3.731 4.294 . 0 0 "[ . 1 . 2]" 1
1867 1 101 LYS HB3 1 102 ASN H 5.000 . 5.000 2.079 1.766 3.026 . 0 0 "[ . 1 . 2]" 1
1868 1 101 LYS HB3 1 103 TYR H 3.320 . 3.320 2.660 2.371 2.920 . 0 0 "[ . 1 . 2]" 1
1869 1 101 LYS HB3 1 103 TYR QD 4.040 . 4.040 2.715 2.616 2.909 . 0 0 "[ . 1 . 2]" 1
1870 1 101 LYS HB3 1 103 TYR HE1 4.840 . 4.840 3.298 2.979 3.581 . 0 0 "[ . 1 . 2]" 1
1871 1 101 LYS HD2 1 103 TYR HE1 3.400 . 3.400 2.282 2.107 2.517 . 0 0 "[ . 1 . 2]" 1
1872 1 101 LYS HD3 1 103 TYR HE1 4.320 . 4.320 3.908 3.697 4.135 . 0 0 "[ . 1 . 2]" 1
1873 1 101 LYS HE2 1 103 TYR H 4.090 . 4.090 3.515 3.259 3.925 . 0 0 "[ . 1 . 2]" 1
1874 1 101 LYS HE2 1 103 TYR QD 4.450 . 4.450 3.735 3.412 4.067 . 0 0 "[ . 1 . 2]" 1
1875 1 101 LYS HE2 1 103 TYR HE1 3.900 . 3.900 3.710 3.411 3.915 0.015 10 0 "[ . 1 . 2]" 1
1876 1 101 LYS HE2 1 104 ILE H 5.490 . 5.490 4.983 4.614 5.337 . 0 0 "[ . 1 . 2]" 1
1877 1 101 LYS HE2 1 104 ILE HA 4.120 . 4.120 3.344 3.024 3.637 . 0 0 "[ . 1 . 2]" 1
1878 1 101 LYS HE2 1 105 THR H 4.860 . 4.860 4.646 4.507 4.885 0.025 13 0 "[ . 1 . 2]" 1
1879 1 101 LYS HE3 1 101 LYS QG 3.710 . 3.710 3.529 3.478 3.566 . 0 0 "[ . 1 . 2]" 1
1880 1 101 LYS HE3 1 103 TYR HE1 3.650 . 3.650 3.677 3.616 3.730 0.080 17 0 "[ . 1 . 2]" 1
1881 1 101 LYS HE3 1 105 THR H 4.730 . 4.730 4.399 4.150 4.653 . 0 0 "[ . 1 . 2]" 1
1882 1 101 LYS QG 1 102 ASN H 4.830 . 4.830 3.934 3.696 4.206 . 0 0 "[ . 1 . 2]" 1
1883 1 101 LYS QG 1 103 TYR H 5.060 . 5.060 4.372 4.282 4.464 . 0 0 "[ . 1 . 2]" 1
1884 1 101 LYS QG 1 103 TYR HE1 5.260 . 5.260 4.149 3.898 4.418 . 0 0 "[ . 1 . 2]" 1
1885 1 101 LYS HG2 1 102 ASN H 5.500 . 5.500 4.193 3.919 4.417 . 0 0 "[ . 1 . 2]" 1
1886 1 101 LYS HG3 1 102 ASN H 5.500 . 5.500 4.770 4.526 5.284 . 0 0 "[ . 1 . 2]" 1
1887 1 102 ASN H 1 102 ASN HD21 5.500 . 5.500 4.713 2.028 4.998 . 0 0 "[ . 1 . 2]" 1
1888 1 102 ASN H 1 102 ASN HD22 5.500 . 5.500 4.696 3.185 4.935 . 0 0 "[ . 1 . 2]" 1
1889 1 102 ASN H 1 103 TYR H 3.910 . 3.910 2.294 2.033 2.771 . 0 0 "[ . 1 . 2]" 1
1890 1 102 ASN HB2 1 102 ASN QD 3.420 . 3.420 2.189 2.069 3.307 . 0 0 "[ . 1 . 2]" 1
1891 1 102 ASN HB2 1 102 ASN HD22 3.920 . 3.920 3.481 3.418 4.025 0.105 3 0 "[ . 1 . 2]" 1
1892 1 102 ASN HB2 1 128 TYR QE 4.670 . 4.670 4.451 4.162 4.702 0.032 13 0 "[ . 1 . 2]" 1
1893 1 102 ASN HB3 1 102 ASN QD 3.400 . 3.400 2.915 2.391 3.067 . 0 0 "[ . 1 . 2]" 1
1894 1 102 ASN HB3 1 103 TYR H 4.540 . 4.540 4.455 4.387 4.501 . 0 0 "[ . 1 . 2]" 1
1895 1 102 ASN HB3 1 103 TYR QD 5.490 . 5.490 4.930 4.753 5.172 . 0 0 "[ . 1 . 2]" 1
1896 1 102 ASN QD 1 103 TYR QD 4.830 . 4.830 4.291 2.903 4.437 . 0 0 "[ . 1 . 2]" 1
1897 1 102 ASN HD21 1 103 TYR QD 5.500 . 5.500 5.330 3.446 5.465 . 0 0 "[ . 1 . 2]" 1
1898 1 102 ASN HD21 1 128 TYR QE 4.650 . 4.650 3.324 3.080 4.635 . 0 0 "[ . 1 . 2]" 1
1899 1 102 ASN HD22 1 103 TYR QD 5.500 . 5.500 4.525 3.124 4.703 . 0 0 "[ . 1 . 2]" 1
1900 1 102 ASN HD22 1 128 TYR QE 4.650 . 4.650 2.126 1.807 3.443 . 0 0 "[ . 1 . 2]" 1
1901 1 103 TYR H 1 103 TYR QB . . 3.790 3.077 2.989 3.150 . 0 0 "[ . 1 . 2]" 1
1902 1 103 TYR H 1 103 TYR QD 3.340 . 3.340 2.756 2.582 2.984 . 0 0 "[ . 1 . 2]" 1
1903 1 103 TYR H 1 104 ILE H 4.400 . 4.400 4.374 4.337 4.402 0.002 1 0 "[ . 1 . 2]" 1
1904 1 103 TYR H 1 104 ILE HA 4.810 . 4.810 4.617 4.519 4.714 . 0 0 "[ . 1 . 2]" 1
1905 1 103 TYR H 1 104 ILE MD 5.460 . 5.460 5.334 4.885 5.507 0.047 7 0 "[ . 1 . 2]" 1
1906 1 103 TYR H 1 140 TYR H 5.500 . 5.500 5.271 5.000 5.511 0.011 20 0 "[ . 1 . 2]" 1
1907 1 103 TYR HA 1 103 TYR QD 4.430 . 4.430 3.749 3.718 3.777 . 0 0 "[ . 1 . 2]" 1
1908 1 103 TYR HA 1 104 ILE H 3.260 . 3.260 2.583 2.526 2.641 . 0 0 "[ . 1 . 2]" 1
1909 1 103 TYR HA 1 138 LEU H 5.500 . 5.500 5.353 5.208 5.514 0.014 10 0 "[ . 1 . 2]" 1
1910 1 103 TYR HA 1 140 TYR H 3.750 . 3.750 2.461 2.253 2.664 . 0 0 "[ . 1 . 2]" 1
1911 1 103 TYR HA 1 140 TYR HD1 3.730 . 3.730 2.212 2.092 2.318 . 0 0 "[ . 1 . 2]" 1
1912 1 103 TYR HA 1 140 TYR HE1 3.860 . 3.860 3.650 3.242 3.891 0.031 9 0 "[ . 1 . 2]" 1
1913 1 103 TYR QB 1 104 ILE H 3.310 . 3.310 2.341 2.255 2.439 . 0 0 "[ . 1 . 2]" 1
1914 1 103 TYR QB 1 128 TYR QD 4.220 . 4.220 2.527 2.448 2.628 . 0 0 "[ . 1 . 2]" 1
1915 1 103 TYR QB 1 128 TYR QE . . 4.370 2.551 2.481 2.763 . 0 0 "[ . 1 . 2]" 1
1916 1 103 TYR QB 1 137 ALA MB . . 4.170 3.731 3.577 3.900 . 0 0 "[ . 1 . 2]" 1
1917 1 103 TYR QB 1 138 LEU H 4.210 . 4.210 3.731 3.597 3.837 . 0 0 "[ . 1 . 2]" 1
1918 1 103 TYR QB 1 140 TYR H 4.350 . 4.350 3.486 3.359 3.589 . 0 0 "[ . 1 . 2]" 1
1919 1 103 TYR QB 1 140 TYR HD1 4.840 . 4.840 4.010 3.862 4.094 . 0 0 "[ . 1 . 2]" 1
1920 1 103 TYR QB 1 141 MET H 5.290 . 5.290 4.769 4.720 4.805 . 0 0 "[ . 1 . 2]" 1
1921 1 103 TYR QD 1 104 ILE H 3.640 . 3.640 2.478 2.274 2.581 . 0 0 "[ . 1 . 2]" 1
1922 1 103 TYR QD 1 104 ILE HA 4.490 . 4.490 3.993 3.889 4.072 . 0 0 "[ . 1 . 2]" 1
1923 1 103 TYR QD 1 105 THR H 4.830 . 4.830 4.654 4.571 4.766 . 0 0 "[ . 1 . 2]" 1
1924 1 103 TYR QD 1 105 THR MG 3.610 . 3.610 3.615 3.583 3.669 0.059 13 0 "[ . 1 . 2]" 1
1925 1 103 TYR QD 1 128 TYR H 5.500 . 5.500 5.473 5.459 5.506 0.006 17 0 "[ . 1 . 2]" 1
1926 1 103 TYR QD 1 128 TYR QD 5.410 . 5.410 3.761 3.694 3.853 . 0 0 "[ . 1 . 2]" 1
1927 1 103 TYR QD 1 128 TYR QE 4.120 . 4.120 3.646 3.464 3.785 . 0 0 "[ . 1 . 2]" 1
1928 1 103 TYR QD 1 134 VAL QG 4.600 . 4.600 4.225 4.143 4.297 . 0 0 "[ . 1 . 2]" 1
1929 1 103 TYR QD 1 137 ALA HA 4.380 . 4.380 3.013 2.911 3.418 . 0 0 "[ . 1 . 2]" 1
1930 1 103 TYR QD 1 137 ALA MB 3.840 . 3.840 2.451 2.319 2.580 . 0 0 "[ . 1 . 2]" 1
1931 1 103 TYR QD 1 138 LEU H 4.160 . 4.160 2.300 2.224 2.384 . 0 0 "[ . 1 . 2]" 1
1932 1 103 TYR QD 1 138 LEU HA 4.980 . 4.980 4.625 4.529 4.727 . 0 0 "[ . 1 . 2]" 1
1933 1 103 TYR QD 1 139 ASP H 5.500 . 5.500 5.235 5.128 5.365 . 0 0 "[ . 1 . 2]" 1
1934 1 103 TYR QD 1 140 TYR H 5.370 . 5.370 4.969 4.800 5.089 . 0 0 "[ . 1 . 2]" 1
1935 1 103 TYR HE2 1 104 ILE H 4.880 . 4.880 4.600 4.492 4.751 . 0 0 "[ . 1 . 2]" 1
1936 1 103 TYR HE2 1 105 THR H 4.430 . 4.430 4.474 4.448 4.542 0.112 17 0 "[ . 1 . 2]" 1
1937 1 103 TYR HE2 1 105 THR MG 3.510 . 3.510 2.021 1.969 2.082 . 0 0 "[ . 1 . 2]" 1
1938 1 103 TYR HE2 1 106 MET H 5.500 . 5.500 5.418 5.253 5.520 0.020 13 0 "[ . 1 . 2]" 1
1939 1 103 TYR HE2 1 133 SER HA 5.500 . 5.500 4.260 4.047 4.391 . 0 0 "[ . 1 . 2]" 1
1940 1 103 TYR HE2 1 134 VAL HB 5.500 . 5.500 5.536 5.478 5.581 0.081 20 0 "[ . 1 . 2]" 1
1941 1 103 TYR HE2 1 134 VAL QG . . 3.190 2.530 2.476 2.637 . 0 0 "[ . 1 . 2]" 1
1942 1 103 TYR HE2 1 137 ALA H 5.080 . 5.080 4.849 4.712 4.976 . 0 0 "[ . 1 . 2]" 1
1943 1 103 TYR HE2 1 137 ALA HA 4.620 . 4.620 2.654 2.433 3.029 . 0 0 "[ . 1 . 2]" 1
1944 1 103 TYR HE2 1 138 LEU H 4.790 . 4.790 3.686 3.509 3.849 . 0 0 "[ . 1 . 2]" 1
1945 1 104 ILE H 1 104 ILE HB 3.780 . 3.780 2.848 2.760 2.929 . 0 0 "[ . 1 . 2]" 1
1946 1 104 ILE H 1 104 ILE MD 4.580 . 4.580 4.373 4.156 4.483 . 0 0 "[ . 1 . 2]" 1
1947 1 104 ILE H 1 104 ILE MG 3.440 . 3.440 2.480 2.412 2.571 . 0 0 "[ . 1 . 2]" 1
1948 1 104 ILE H 1 105 THR H 4.390 . 4.390 4.415 4.395 4.448 0.058 1 0 "[ . 1 . 2]" 1
1949 1 104 ILE H 1 105 THR HA 4.860 . 4.860 4.647 4.565 4.717 . 0 0 "[ . 1 . 2]" 1
1950 1 104 ILE H 1 137 ALA HA 5.500 . 5.500 4.780 4.636 5.164 . 0 0 "[ . 1 . 2]" 1
1951 1 104 ILE H 1 137 ALA MB 5.000 . 5.000 4.578 4.465 4.743 . 0 0 "[ . 1 . 2]" 1
1952 1 104 ILE H 1 138 LEU H 3.860 . 3.860 3.112 3.014 3.267 . 0 0 "[ . 1 . 2]" 1
1953 1 104 ILE H 1 140 TYR H 4.340 . 4.340 3.038 2.892 3.141 . 0 0 "[ . 1 . 2]" 1
1954 1 104 ILE H 1 140 TYR HB2 5.500 . 5.500 5.429 5.316 5.505 0.005 15 0 "[ . 1 . 2]" 1
1955 1 104 ILE H 1 140 TYR HD1 3.780 . 3.780 3.403 3.014 3.597 . 0 0 "[ . 1 . 2]" 1
1956 1 104 ILE H 1 141 MET H 5.380 . 5.380 5.190 5.045 5.316 . 0 0 "[ . 1 . 2]" 1
1957 1 104 ILE HA 1 104 ILE MD 4.430 . 4.430 3.016 2.335 3.368 . 0 0 "[ . 1 . 2]" 1
1958 1 104 ILE HA 1 105 THR H 3.220 . 3.220 2.346 2.286 2.404 . 0 0 "[ . 1 . 2]" 1
1959 1 104 ILE HA 1 140 TYR HD1 4.750 . 4.750 4.400 4.127 4.696 . 0 0 "[ . 1 . 2]" 1
1960 1 104 ILE HB 1 140 TYR HD1 3.490 . 3.490 2.756 2.508 3.071 . 0 0 "[ . 1 . 2]" 1
1961 1 104 ILE MD 1 105 THR H 4.120 . 4.120 4.049 3.568 4.224 0.104 3 0 "[ . 1 . 2]" 1
1962 1 104 ILE MD 1 109 LEU H 5.500 . 5.500 4.374 4.199 4.602 . 0 0 "[ . 1 . 2]" 1
1963 1 104 ILE MD 1 140 TYR H 5.040 . 5.040 4.764 4.617 4.892 . 0 0 "[ . 1 . 2]" 1
1964 1 104 ILE MD 1 140 TYR HB2 4.330 . 4.330 3.572 3.370 4.032 . 0 0 "[ . 1 . 2]" 1
1965 1 104 ILE MD 1 140 TYR HB3 3.970 . 3.970 3.071 2.900 3.350 . 0 0 "[ . 1 . 2]" 1
1966 1 104 ILE MD 1 140 TYR HD1 3.960 . 3.960 3.511 3.270 3.896 . 0 0 "[ . 1 . 2]" 1
1967 1 104 ILE MD 1 141 MET H 5.500 . 5.500 5.692 5.526 5.866 0.366 13 0 "[ . 1 . 2]" 1
1968 1 104 ILE HG12 1 104 ILE MG 3.460 . 3.460 2.207 2.138 2.268 . 0 0 "[ . 1 . 2]" 1
1969 1 104 ILE HG12 1 105 THR H 4.080 . 4.080 3.452 3.057 4.077 . 0 0 "[ . 1 . 2]" 1
1970 1 104 ILE HG12 1 109 LEU H 4.140 . 4.140 3.265 2.918 3.852 . 0 0 "[ . 1 . 2]" 1
1971 1 104 ILE HG12 1 109 LEU HB3 4.370 . 4.370 2.380 2.148 2.544 . 0 0 "[ . 1 . 2]" 1
1972 1 104 ILE HG13 1 105 THR H 3.610 . 3.610 2.488 2.299 2.669 . 0 0 "[ . 1 . 2]" 1
1973 1 104 ILE HG13 1 108 GLU H 4.950 . 4.950 4.784 4.413 4.986 0.036 5 0 "[ . 1 . 2]" 1
1974 1 104 ILE HG13 1 108 GLU QG 4.520 . 4.520 3.952 3.334 4.401 . 0 0 "[ . 1 . 2]" 1
1975 1 104 ILE MG 1 105 THR H 3.620 . 3.620 3.346 3.212 3.550 . 0 0 "[ . 1 . 2]" 1
1976 1 104 ILE MG 1 105 THR HA 5.190 . 5.190 3.617 3.530 3.697 . 0 0 "[ . 1 . 2]" 1
1977 1 104 ILE MG 1 108 GLU HB2 4.600 . 4.600 4.186 3.895 4.508 . 0 0 "[ . 1 . 2]" 1
1978 1 104 ILE MG 1 109 LEU H 4.490 . 4.490 3.890 3.611 4.244 . 0 0 "[ . 1 . 2]" 1
1979 1 104 ILE MG 1 125 MET HG2 4.960 . 4.960 3.623 3.081 3.951 . 0 0 "[ . 1 . 2]" 1
1980 1 104 ILE MG 1 125 MET HG3 4.980 . 4.980 4.274 4.059 4.444 . 0 0 "[ . 1 . 2]" 1
1981 1 104 ILE MG 1 126 ALA H 5.500 . 5.500 5.648 5.425 5.838 0.338 17 0 "[ . 1 . 2]" 1
1982 1 104 ILE MG 1 138 LEU H 4.120 . 4.120 3.306 3.244 3.369 . 0 0 "[ . 1 . 2]" 1
1983 1 104 ILE MG 1 139 ASP H 5.410 . 5.410 4.611 4.442 4.791 . 0 0 "[ . 1 . 2]" 1
1984 1 104 ILE MG 1 140 TYR H 4.110 . 4.110 3.218 2.959 3.478 . 0 0 "[ . 1 . 2]" 1
1985 1 104 ILE MG 1 140 TYR HA 4.420 . 4.420 3.586 3.374 3.825 . 0 0 "[ . 1 . 2]" 1
1986 1 104 ILE MG 1 140 TYR HB2 3.950 . 3.950 3.229 3.007 3.439 . 0 0 "[ . 1 . 2]" 1
1987 1 104 ILE MG 1 140 TYR HB3 3.610 . 3.610 2.315 2.150 2.483 . 0 0 "[ . 1 . 2]" 1
1988 1 104 ILE MG 1 140 TYR HD1 4.270 . 4.270 3.818 3.592 4.075 . 0 0 "[ . 1 . 2]" 1
1989 1 104 ILE MG 1 141 MET H 5.500 . 5.500 5.089 4.905 5.259 . 0 0 "[ . 1 . 2]" 1
1990 1 105 THR H 1 105 THR HB 3.950 . 3.950 3.750 3.706 3.824 . 0 0 "[ . 1 . 2]" 1
1991 1 105 THR H 1 105 THR MG 3.310 . 3.310 2.675 2.520 2.778 . 0 0 "[ . 1 . 2]" 1
1992 1 105 THR H 1 106 MET H 4.670 . 4.670 4.528 4.470 4.579 . 0 0 "[ . 1 . 2]" 1
1993 1 105 THR H 1 107 ASP H 5.130 . 5.130 4.870 4.762 4.988 . 0 0 "[ . 1 . 2]" 1
1994 1 105 THR H 1 107 ASP QB 5.340 . 5.340 5.215 5.049 5.383 0.043 15 0 "[ . 1 . 2]" 1
1995 1 105 THR H 1 108 GLU H 3.940 . 3.940 3.497 3.349 3.628 . 0 0 "[ . 1 . 2]" 1
1996 1 105 THR H 1 108 GLU HB2 3.720 . 3.720 2.208 1.951 2.442 . 0 0 "[ . 1 . 2]" 1
1997 1 105 THR H 1 108 GLU HB3 3.860 . 3.860 3.625 3.368 3.864 0.004 6 0 "[ . 1 . 2]" 1
1998 1 105 THR H 1 108 GLU HG2 5.500 . 5.500 4.221 3.358 4.669 . 0 0 "[ . 1 . 2]" 1
1999 1 105 THR H 1 108 GLU QG 4.850 . 4.850 3.149 2.452 3.647 . 0 0 "[ . 1 . 2]" 1
2000 1 105 THR H 1 108 GLU HG3 5.500 . 5.500 3.266 2.492 3.875 . 0 0 "[ . 1 . 2]" 1
2001 1 105 THR H 1 109 LEU H 4.460 . 4.460 3.959 3.648 4.166 . 0 0 "[ . 1 . 2]" 1
2002 1 105 THR H 1 137 ALA HA 5.170 . 5.170 4.947 4.868 5.145 . 0 0 "[ . 1 . 2]" 1
2003 1 105 THR HA 1 106 MET H 2.980 . 2.980 2.280 2.239 2.318 . 0 0 "[ . 1 . 2]" 1
2004 1 105 THR HA 1 107 ASP H 4.290 . 4.290 4.090 3.969 4.185 . 0 0 "[ . 1 . 2]" 1
2005 1 105 THR HA 1 108 GLU H 4.620 . 4.620 4.498 4.412 4.588 . 0 0 "[ . 1 . 2]" 1
2006 1 105 THR HA 1 108 GLU HB2 5.170 . 5.170 4.592 4.437 4.732 . 0 0 "[ . 1 . 2]" 1
2007 1 105 THR HA 1 109 LEU H 5.500 . 5.500 5.225 5.062 5.348 . 0 0 "[ . 1 . 2]" 1
2008 1 105 THR HA 1 137 ALA H 5.040 . 5.040 4.868 4.800 5.052 0.012 12 0 "[ . 1 . 2]" 1
2009 1 105 THR HA 1 137 ALA HA 3.950 . 3.950 2.382 2.286 2.447 . 0 0 "[ . 1 . 2]" 1
2010 1 105 THR HA 1 137 ALA MB 4.520 . 4.520 3.962 3.828 4.015 . 0 0 "[ . 1 . 2]" 1
2011 1 105 THR HA 1 138 LEU H 3.720 . 3.720 2.982 2.888 3.073 . 0 0 "[ . 1 . 2]" 1
2012 1 105 THR HA 1 138 LEU HB2 5.500 . 5.500 4.157 3.949 4.264 . 0 0 "[ . 1 . 2]" 1
2013 1 105 THR HA 1 138 LEU HG 5.500 . 5.500 4.010 3.618 4.236 . 0 0 "[ . 1 . 2]" 1
2014 1 105 THR HB 1 106 MET H 3.330 . 3.330 2.415 2.287 2.512 . 0 0 "[ . 1 . 2]" 1
2015 1 105 THR HB 1 107 ASP H 3.420 . 3.420 2.486 2.368 2.656 . 0 0 "[ . 1 . 2]" 1
2016 1 105 THR MG 1 106 MET H 3.400 . 3.400 3.566 3.484 3.678 0.278 17 0 "[ . 1 . 2]" 1
2017 1 105 THR MG 1 107 ASP H 4.170 . 4.170 4.069 3.994 4.146 . 0 0 "[ . 1 . 2]" 1
2018 1 105 THR MG 1 108 GLU H 4.400 . 4.400 4.054 3.892 4.200 . 0 0 "[ . 1 . 2]" 1
2019 1 106 MET H 1 106 MET HB2 3.440 . 3.440 2.562 2.509 2.875 . 0 0 "[ . 1 . 2]" 1
2020 1 106 MET H 1 106 MET HB3 3.890 . 3.890 3.639 3.568 3.664 . 0 0 "[ . 1 . 2]" 1
2021 1 106 MET H 1 106 MET ME 4.180 . 4.180 3.799 3.662 3.884 . 0 0 "[ . 1 . 2]" 1
2022 1 106 MET H 1 106 MET HG2 3.620 . 3.620 3.263 3.200 3.442 . 0 0 "[ . 1 . 2]" 1
2023 1 106 MET H 1 106 MET HG3 3.180 . 3.180 2.307 2.139 2.398 . 0 0 "[ . 1 . 2]" 1
2024 1 106 MET H 1 107 ASP H 3.200 . 3.200 2.673 2.595 2.773 . 0 0 "[ . 1 . 2]" 1
2025 1 106 MET H 1 108 GLU H 4.440 . 4.440 4.253 4.133 4.363 . 0 0 "[ . 1 . 2]" 1
2026 1 106 MET H 1 109 LEU H 5.460 . 5.460 5.044 4.947 5.135 . 0 0 "[ . 1 . 2]" 1
2027 1 106 MET H 1 109 LEU MD2 4.070 . 4.070 4.039 3.930 4.081 0.011 10 0 "[ . 1 . 2]" 1
2028 1 106 MET H 1 136 GLY QA 4.550 . 4.550 3.427 3.031 4.565 0.015 12 0 "[ . 1 . 2]" 1
2029 1 106 MET H 1 137 ALA HA 3.760 . 3.760 3.761 3.659 3.796 0.036 1 0 "[ . 1 . 2]" 1
2030 1 106 MET H 1 138 LEU H 4.560 . 4.560 4.584 4.564 4.617 0.057 17 0 "[ . 1 . 2]" 1
2031 1 106 MET H 1 138 LEU MD1 4.300 . 4.300 3.708 3.370 3.953 . 0 0 "[ . 1 . 2]" 1
2032 1 106 MET H 1 138 LEU HG 4.130 . 4.130 3.905 3.750 4.027 . 0 0 "[ . 1 . 2]" 1
2033 1 106 MET HA 1 106 MET ME 4.580 . 4.580 4.608 4.581 4.663 0.083 12 0 "[ . 1 . 2]" 1
2034 1 106 MET HA 1 106 MET HG2 4.210 . 4.210 2.516 2.393 3.622 . 0 0 "[ . 1 . 2]" 1
2035 1 106 MET HA 1 107 ASP H 3.550 . 3.550 3.524 3.496 3.547 . 0 0 "[ . 1 . 2]" 1
2036 1 106 MET HA 1 109 LEU HB3 4.850 . 4.850 4.355 4.075 4.583 . 0 0 "[ . 1 . 2]" 1
2037 1 106 MET HA 1 109 LEU MD2 3.690 . 3.690 2.199 2.160 2.240 . 0 0 "[ . 1 . 2]" 1
2038 1 106 MET HA 1 109 LEU HG 4.480 . 4.480 2.664 2.379 2.913 . 0 0 "[ . 1 . 2]" 1
2039 1 106 MET HA 1 138 LEU MD1 3.940 . 3.940 2.869 2.661 3.049 . 0 0 "[ . 1 . 2]" 1
2040 1 106 MET HB2 1 107 ASP H 3.370 . 3.370 2.742 2.570 2.871 . 0 0 "[ . 1 . 2]" 1
2041 1 106 MET HB2 1 109 LEU MD2 4.700 . 4.700 4.713 4.641 4.771 0.071 13 0 "[ . 1 . 2]" 1
2042 1 106 MET HB2 1 122 ILE MD 4.850 . 4.850 3.923 3.478 4.061 . 0 0 "[ . 1 . 2]" 1
2043 1 106 MET HB2 1 138 LEU MD1 5.060 . 5.060 4.476 4.383 4.571 . 0 0 "[ . 1 . 2]" 1
2044 1 106 MET HB3 1 107 ASP H 3.950 . 3.950 3.769 3.584 3.954 0.004 12 0 "[ . 1 . 2]" 1
2045 1 106 MET HB3 1 122 ILE MD 4.410 . 4.410 2.449 2.092 2.614 . 0 0 "[ . 1 . 2]" 1
2046 1 106 MET HB3 1 138 LEU MD1 4.430 . 4.430 4.043 3.579 4.174 . 0 0 "[ . 1 . 2]" 1
2047 1 106 MET ME 1 106 MET HG3 3.750 . 3.750 2.514 2.143 3.159 . 0 0 "[ . 1 . 2]" 1
2048 1 106 MET ME 1 107 ASP H 4.990 . 4.990 4.521 4.293 5.001 0.011 19 0 "[ . 1 . 2]" 1
2049 1 106 MET ME 1 122 ILE MD 4.680 . 4.680 3.962 3.809 4.180 . 0 0 "[ . 1 . 2]" 1
2050 1 106 MET ME 1 122 ILE MG 3.950 . 3.950 3.762 3.225 3.932 . 0 0 "[ . 1 . 2]" 1
2051 1 106 MET ME 1 136 GLY H 5.280 . 5.280 4.345 4.071 4.583 . 0 0 "[ . 1 . 2]" 1
2052 1 106 MET ME 1 136 GLY QA 3.390 . 3.390 1.960 1.917 2.152 . 0 0 "[ . 1 . 2]" 1
2053 1 106 MET ME 1 137 ALA H 4.740 . 4.740 4.610 4.264 4.761 0.021 12 0 "[ . 1 . 2]" 1
2054 1 106 MET ME 1 138 LEU MD1 4.620 . 4.620 4.373 3.724 4.542 . 0 0 "[ . 1 . 2]" 1
2055 1 106 MET ME 1 138 LEU MD2 4.350 . 4.350 4.512 3.678 4.714 0.364 20 0 "[ . 1 . 2]" 1
2056 1 106 MET HG2 1 122 ILE MD 3.710 . 3.710 3.127 2.911 3.334 . 0 0 "[ . 1 . 2]" 1
2057 1 106 MET HG2 1 122 ILE MG 3.720 . 3.720 2.835 2.552 3.090 . 0 0 "[ . 1 . 2]" 1
2058 1 106 MET HG2 1 138 LEU MD1 3.660 . 3.660 2.105 1.972 3.233 . 0 0 "[ . 1 . 2]" 1
2059 1 106 MET HG2 1 138 LEU MD2 4.390 . 4.390 3.622 3.303 3.947 . 0 0 "[ . 1 . 2]" 1
2060 1 106 MET HG3 1 107 ASP H 4.960 . 4.960 4.361 4.234 4.518 . 0 0 "[ . 1 . 2]" 1
2061 1 106 MET HG3 1 122 ILE MD 4.750 . 4.750 4.260 3.852 4.449 . 0 0 "[ . 1 . 2]" 1
2062 1 106 MET HG3 1 122 ILE MG 4.200 . 4.200 3.867 3.267 4.062 . 0 0 "[ . 1 . 2]" 1
2063 1 106 MET HG3 1 137 ALA H 5.500 . 5.500 4.831 4.681 5.500 0.000 12 0 "[ . 1 . 2]" 1
2064 1 106 MET HG3 1 138 LEU H 5.500 . 5.500 5.235 4.979 5.401 . 0 0 "[ . 1 . 2]" 1
2065 1 106 MET HG3 1 138 LEU HB2 5.150 . 5.150 5.081 4.769 5.165 0.015 20 0 "[ . 1 . 2]" 1
2066 1 106 MET HG3 1 138 LEU MD1 3.840 . 3.840 3.029 2.234 3.193 . 0 0 "[ . 1 . 2]" 1
2067 1 106 MET HG3 1 138 LEU MD2 4.130 . 4.130 3.887 3.411 4.031 . 0 0 "[ . 1 . 2]" 1
2068 1 107 ASP H 1 107 ASP QB 2.790 . 2.790 2.283 2.173 2.515 . 0 0 "[ . 1 . 2]" 1
2069 1 107 ASP H 1 108 GLU H 3.090 . 3.090 2.585 2.368 2.703 . 0 0 "[ . 1 . 2]" 1
2070 1 107 ASP H 1 108 GLU HB2 4.730 . 4.730 4.562 4.334 4.708 . 0 0 "[ . 1 . 2]" 1
2071 1 107 ASP H 1 109 LEU H 4.750 . 4.750 4.312 4.213 4.423 . 0 0 "[ . 1 . 2]" 1
2072 1 107 ASP H 1 109 LEU MD2 4.960 . 4.960 4.817 4.743 4.878 . 0 0 "[ . 1 . 2]" 1
2073 1 107 ASP H 1 110 ARG H 4.760 . 4.760 4.771 4.726 4.803 0.043 6 0 "[ . 1 . 2]" 1
2074 1 107 ASP H 1 110 ARG QB 5.020 . 5.020 4.855 4.497 5.133 0.113 18 0 "[ . 1 . 2]" 1
2075 1 107 ASP HA 1 110 ARG H 4.330 . 4.330 3.619 3.460 3.805 . 0 0 "[ . 1 . 2]" 1
2076 1 107 ASP HA 1 110 ARG QB 4.020 . 4.020 2.820 2.358 3.557 . 0 0 "[ . 1 . 2]" 1
2077 1 107 ASP QB 1 108 GLU H 3.040 . 3.040 2.543 2.388 2.764 . 0 0 "[ . 1 . 2]" 1
2078 1 108 GLU H 1 108 GLU HB2 3.190 . 3.190 2.253 2.218 2.286 . 0 0 "[ . 1 . 2]" 1
2079 1 108 GLU H 1 108 GLU QG 3.120 . 3.120 2.642 2.520 2.799 . 0 0 "[ . 1 . 2]" 1
2080 1 108 GLU H 1 109 LEU MD2 4.770 . 4.770 4.685 4.532 4.862 0.092 1 0 "[ . 1 . 2]" 1
2081 1 108 GLU HA 1 108 GLU QG 3.210 . 3.210 2.425 2.337 2.873 . 0 0 "[ . 1 . 2]" 1
2082 1 108 GLU HA 1 111 ARG H 4.340 . 4.340 3.652 3.474 3.877 . 0 0 "[ . 1 . 2]" 1
2083 1 108 GLU HA 1 111 ARG HB3 4.120 . 4.120 3.244 2.909 3.614 . 0 0 "[ . 1 . 2]" 1
2084 1 108 GLU HB2 1 109 LEU H 3.800 . 3.800 2.562 2.406 2.701 . 0 0 "[ . 1 . 2]" 1
2085 1 108 GLU HB3 1 109 LEU H 3.290 . 3.290 3.272 3.104 3.312 0.022 9 0 "[ . 1 . 2]" 1
2086 1 108 GLU HB3 1 110 ARG H 5.500 . 5.500 5.159 4.968 5.295 . 0 0 "[ . 1 . 2]" 1
2087 1 109 LEU H 1 109 LEU HA 2.920 . 2.920 2.881 2.852 2.906 . 0 0 "[ . 1 . 2]" 1
2088 1 109 LEU H 1 109 LEU HB2 3.770 . 3.770 3.629 3.599 3.653 . 0 0 "[ . 1 . 2]" 1
2089 1 109 LEU H 1 109 LEU HB3 3.990 . 3.990 2.460 2.395 2.514 . 0 0 "[ . 1 . 2]" 1
2090 1 109 LEU H 1 109 LEU MD1 4.240 . 4.240 4.023 3.938 4.079 . 0 0 "[ . 1 . 2]" 1
2091 1 109 LEU H 1 109 LEU MD2 3.190 . 3.190 3.012 2.893 3.163 . 0 0 "[ . 1 . 2]" 1
2092 1 109 LEU H 1 109 LEU HG 3.870 . 3.870 2.631 2.491 2.745 . 0 0 "[ . 1 . 2]" 1
2093 1 109 LEU H 1 110 ARG H 3.140 . 3.140 2.646 2.567 2.752 . 0 0 "[ . 1 . 2]" 1
2094 1 109 LEU HA 1 109 LEU MD1 4.430 . 4.430 3.638 3.596 3.682 . 0 0 "[ . 1 . 2]" 1
2095 1 109 LEU HA 1 111 ARG H 4.550 . 4.550 3.609 3.497 3.858 . 0 0 "[ . 1 . 2]" 1
2096 1 109 LEU HA 1 112 GLU H 3.600 . 3.600 3.470 3.217 3.632 0.032 3 0 "[ . 1 . 2]" 1
2097 1 109 LEU HB2 1 109 LEU MD1 3.450 . 3.450 2.171 2.129 2.211 . 0 0 "[ . 1 . 2]" 1
2098 1 109 LEU HB2 1 110 ARG H 4.530 . 4.530 4.223 4.126 4.324 . 0 0 "[ . 1 . 2]" 1
2099 1 109 LEU HB2 1 111 ARG H 5.500 . 5.500 5.312 5.222 5.499 . 0 0 "[ . 1 . 2]" 1
2100 1 109 LEU HB3 1 109 LEU MD2 3.530 . 3.530 2.139 2.102 2.167 . 0 0 "[ . 1 . 2]" 1
2101 1 109 LEU HB3 1 110 ARG H 4.410 . 4.410 4.106 4.025 4.217 . 0 0 "[ . 1 . 2]" 1
2102 1 109 LEU MD1 1 110 ARG H 3.970 . 3.970 3.389 3.223 3.555 . 0 0 "[ . 1 . 2]" 1
2103 1 109 LEU MD1 1 118 ALA HA 3.180 . 3.180 2.387 2.297 2.485 . 0 0 "[ . 1 . 2]" 1
2104 1 109 LEU MD1 1 121 CYS H 4.690 . 4.690 4.054 3.951 4.134 . 0 0 "[ . 1 . 2]" 1
2105 1 109 LEU MD1 1 121 CYS HB2 4.080 . 4.080 2.357 2.230 2.452 . 0 0 "[ . 1 . 2]" 1
2106 1 109 LEU MD1 1 121 CYS HB3 4.120 . 4.120 2.592 2.385 2.718 . 0 0 "[ . 1 . 2]" 1
2107 1 109 LEU MD2 1 110 ARG H 4.400 . 4.400 4.116 3.980 4.293 . 0 0 "[ . 1 . 2]" 1
2108 1 109 LEU MD2 1 121 CYS HB2 4.360 . 4.360 3.896 3.735 3.989 . 0 0 "[ . 1 . 2]" 1
2109 1 109 LEU MD2 1 121 CYS HB3 4.270 . 4.270 3.487 3.225 3.733 . 0 0 "[ . 1 . 2]" 1
2110 1 109 LEU MD2 1 122 ILE H 5.050 . 5.050 4.110 3.884 4.258 . 0 0 "[ . 1 . 2]" 1
2111 1 109 LEU MD2 1 122 ILE HA 4.390 . 4.390 3.374 3.080 3.516 . 0 0 "[ . 1 . 2]" 1
2112 1 109 LEU HG 1 110 ARG H 4.490 . 4.490 2.540 2.378 2.726 . 0 0 "[ . 1 . 2]" 1
2113 1 110 ARG H 1 110 ARG QB 2.820 . 2.820 2.236 2.081 2.361 . 0 0 "[ . 1 . 2]" 1
2114 1 110 ARG H 1 110 ARG HD2 5.500 . 5.500 4.396 3.597 5.065 . 0 0 "[ . 1 . 2]" 1
2115 1 110 ARG H 1 110 ARG HD3 5.500 . 5.500 4.752 3.731 5.308 . 0 0 "[ . 1 . 2]" 1
2116 1 110 ARG H 1 110 ARG HG2 4.820 . 4.820 4.167 2.562 4.699 . 0 0 "[ . 1 . 2]" 1
2117 1 110 ARG H 1 110 ARG QG 4.150 . 4.150 3.484 2.527 4.075 . 0 0 "[ . 1 . 2]" 1
2118 1 110 ARG H 1 110 ARG HG3 4.820 . 4.820 3.921 2.976 4.568 . 0 0 "[ . 1 . 2]" 1
2119 1 110 ARG H 1 111 ARG H 3.140 . 3.140 2.646 2.560 2.777 . 0 0 "[ . 1 . 2]" 1
2120 1 110 ARG H 1 112 GLU H 4.400 . 4.400 4.239 4.091 4.355 . 0 0 "[ . 1 . 2]" 1
2121 1 110 ARG H 1 118 ALA MB 4.450 . 4.450 3.987 3.807 4.248 . 0 0 "[ . 1 . 2]" 1
2122 1 110 ARG HA 1 110 ARG HD2 5.500 . 5.500 4.094 3.252 4.698 . 0 0 "[ . 1 . 2]" 1
2123 1 110 ARG HA 1 110 ARG QD 4.640 . 4.640 3.743 3.173 4.155 . 0 0 "[ . 1 . 2]" 1
2124 1 110 ARG HA 1 110 ARG HD3 5.500 . 5.500 4.483 4.119 4.710 . 0 0 "[ . 1 . 2]" 1
2125 1 110 ARG HA 1 118 ALA MB 3.550 . 3.550 2.171 2.051 2.300 . 0 0 "[ . 1 . 2]" 1
2126 1 110 ARG QB 1 110 ARG QD 1.560 . 1.560 1.929 1.836 2.056 0.496 17 0 "[ . 1 . 2]" 1
2127 1 110 ARG QD 1 118 ALA MB 4.630 . 4.630 3.207 2.380 4.146 . 0 0 "[ . 1 . 2]" 1
2128 1 110 ARG HG2 1 118 ALA MB 5.500 . 5.500 3.502 2.029 4.855 . 0 0 "[ . 1 . 2]" 1
2129 1 110 ARG HG3 1 118 ALA MB 5.500 . 5.500 2.773 2.124 4.685 . 0 0 "[ . 1 . 2]" 1
2130 1 111 ARG H 1 111 ARG HB3 2.630 . 2.630 2.316 2.164 2.401 . 0 0 "[ . 1 . 2]" 1
2131 1 111 ARG H 1 111 ARG HD2 5.500 . 5.500 4.659 3.507 5.313 . 0 0 "[ . 1 . 2]" 1
2132 1 111 ARG H 1 111 ARG QD 4.810 . 4.810 4.059 3.387 4.654 . 0 0 "[ . 1 . 2]" 1
2133 1 111 ARG H 1 111 ARG HD3 5.500 . 5.500 4.617 3.829 5.145 . 0 0 "[ . 1 . 2]" 1
2134 1 111 ARG H 1 111 ARG QG 2.930 . 2.930 2.808 2.642 2.985 0.055 20 0 "[ . 1 . 2]" 1
2135 1 111 ARG H 1 112 GLU H 2.880 . 2.880 2.382 2.262 2.574 . 0 0 "[ . 1 . 2]" 1
2136 1 111 ARG H 1 112 GLU HB2 5.120 . 5.120 4.602 4.397 4.927 . 0 0 "[ . 1 . 2]" 1
2137 1 111 ARG H 1 112 GLU HG2 4.930 . 4.930 3.929 3.419 4.879 . 0 0 "[ . 1 . 2]" 1
2138 1 111 ARG H 1 112 GLU QG 4.280 . 4.280 3.679 3.360 4.025 . 0 0 "[ . 1 . 2]" 1
2139 1 111 ARG H 1 112 GLU HG3 4.930 . 4.930 4.779 3.909 4.999 0.069 13 0 "[ . 1 . 2]" 1
2140 1 111 ARG HA 1 111 ARG QD 4.270 . 4.270 4.272 3.531 4.436 0.166 3 0 "[ . 1 . 2]" 1
2141 1 111 ARG HA 1 113 LEU H 4.910 . 4.910 4.618 4.510 4.709 . 0 0 "[ . 1 . 2]" 1
2142 1 111 ARG HB3 1 112 GLU H 3.860 . 3.860 3.771 3.679 3.863 0.003 15 0 "[ . 1 . 2]" 1
2143 1 111 ARG QD 1 112 GLU H 4.730 . 4.730 4.353 3.754 4.669 . 0 0 "[ . 1 . 2]" 1
2144 1 111 ARG HD2 1 112 GLU H 5.500 . 5.500 4.950 4.175 5.372 . 0 0 "[ . 1 . 2]" 1
2145 1 111 ARG HD3 1 112 GLU H 5.500 . 5.500 4.876 4.014 5.403 . 0 0 "[ . 1 . 2]" 1
2146 1 111 ARG QG 1 112 GLU H 2.880 . 2.880 2.493 2.385 2.631 . 0 0 "[ . 1 . 2]" 1
2147 1 111 ARG QG 1 112 GLU QG 1.570 . 1.570 1.942 1.830 2.052 0.482 1 0 "[ . 1 . 2]" 1
2148 1 112 GLU H 1 112 GLU HB2 3.250 . 3.250 2.453 2.325 2.562 . 0 0 "[ . 1 . 2]" 1
2149 1 112 GLU H 1 112 GLU HB3 3.890 . 3.890 3.593 3.543 3.689 . 0 0 "[ . 1 . 2]" 1
2150 1 112 GLU H 1 112 GLU HG2 3.420 . 3.420 2.385 2.071 3.049 . 0 0 "[ . 1 . 2]" 1
2151 1 112 GLU H 1 112 GLU QG 2.980 . 2.980 2.256 2.055 2.551 . 0 0 "[ . 1 . 2]" 1
2152 1 112 GLU H 1 112 GLU HG3 3.420 . 3.420 3.203 2.273 3.436 0.016 5 0 "[ . 1 . 2]" 1
2153 1 112 GLU H 1 113 LEU H 2.910 . 2.910 2.364 2.217 2.478 . 0 0 "[ . 1 . 2]" 1
2154 1 112 GLU H 1 113 LEU HA 5.220 . 5.220 5.027 4.904 5.091 . 0 0 "[ . 1 . 2]" 1
2155 1 112 GLU H 1 113 LEU MD1 4.120 . 4.120 3.974 3.643 4.162 0.042 9 0 "[ . 1 . 2]" 1
2156 1 112 GLU HA 1 112 GLU QG 3.640 . 3.640 2.751 2.413 2.977 . 0 0 "[ . 1 . 2]" 1
2157 1 112 GLU HA 1 113 LEU H 3.550 . 3.550 3.559 3.538 3.606 0.056 13 0 "[ . 1 . 2]" 1
2158 1 112 GLU HB2 1 113 LEU H 3.430 . 3.430 2.503 2.342 2.849 . 0 0 "[ . 1 . 2]" 1
2159 1 112 GLU HB2 1 113 LEU MD1 3.840 . 3.840 2.625 2.382 3.217 . 0 0 "[ . 1 . 2]" 1
2160 1 112 GLU HB3 1 113 LEU H 4.440 . 4.440 3.670 3.537 3.962 . 0 0 "[ . 1 . 2]" 1
2161 1 112 GLU QG 1 113 LEU H 4.060 . 4.060 3.861 3.782 4.048 . 0 0 "[ . 1 . 2]" 1
2162 1 112 GLU HG2 1 113 LEU H 4.660 . 4.660 4.244 4.030 4.691 0.031 9 0 "[ . 1 . 2]" 1
2163 1 112 GLU HG3 1 113 LEU H 4.660 . 4.660 4.498 4.026 4.670 0.010 2 0 "[ . 1 . 2]" 1
2164 1 113 LEU H 1 113 LEU HB2 3.510 . 3.510 3.011 2.847 3.259 . 0 0 "[ . 1 . 2]" 1
2165 1 113 LEU H 1 113 LEU MD1 3.180 . 3.180 2.646 2.317 2.939 . 0 0 "[ . 1 . 2]" 1
2166 1 113 LEU H 1 113 LEU MD2 4.270 . 4.270 4.315 4.234 4.413 0.143 1 0 "[ . 1 . 2]" 1
2167 1 113 LEU H 1 113 LEU HG 3.620 . 3.620 2.966 2.867 3.152 . 0 0 "[ . 1 . 2]" 1
2168 1 113 LEU H 1 118 ALA H 5.500 . 5.500 5.503 5.375 5.541 0.041 9 0 "[ . 1 . 2]" 1
2169 1 113 LEU HA 1 113 LEU MD1 4.520 . 4.520 3.884 3.837 3.947 . 0 0 "[ . 1 . 2]" 1
2170 1 113 LEU HA 1 113 LEU MD2 4.110 . 4.110 3.324 3.111 3.672 . 0 0 "[ . 1 . 2]" 1
2171 1 113 LEU HA 1 115 PRO HD2 3.610 . 3.610 2.759 2.656 2.879 . 0 0 "[ . 1 . 2]" 1
2172 1 113 LEU HA 1 118 ALA H 5.490 . 5.490 5.340 5.198 5.448 . 0 0 "[ . 1 . 2]" 1
2173 1 113 LEU HB2 1 113 LEU MD1 3.450 . 3.450 2.118 2.081 2.219 . 0 0 "[ . 1 . 2]" 1
2174 1 113 LEU HB2 1 115 PRO HD2 4.340 . 4.340 3.759 3.457 3.994 . 0 0 "[ . 1 . 2]" 1
2175 1 113 LEU HB2 1 117 GLN H 4.850 . 4.850 4.733 4.448 4.892 0.042 9 0 "[ . 1 . 2]" 1
2176 1 113 LEU HB2 1 117 GLN HA 5.500 . 5.500 5.065 4.844 5.242 . 0 0 "[ . 1 . 2]" 1
2177 1 113 LEU HB2 1 117 GLN HE21 5.320 . 5.320 5.041 4.875 5.237 . 0 0 "[ . 1 . 2]" 1
2178 1 113 LEU HB2 1 117 GLN HG3 4.480 . 4.480 4.491 4.313 4.539 0.059 17 0 "[ . 1 . 2]" 1
2179 1 113 LEU HB2 1 118 ALA H 3.630 . 3.630 3.067 2.874 3.198 . 0 0 "[ . 1 . 2]" 1
2180 1 113 LEU HB3 1 115 PRO HD2 4.230 . 4.230 2.962 2.809 3.121 . 0 0 "[ . 1 . 2]" 1
2181 1 113 LEU HB3 1 117 GLN H 4.990 . 4.990 4.472 4.302 4.765 . 0 0 "[ . 1 . 2]" 1
2182 1 113 LEU HB3 1 117 GLN HB3 3.960 . 3.960 2.847 2.631 3.025 . 0 0 "[ . 1 . 2]" 1
2183 1 113 LEU HB3 1 117 GLN HE21 5.190 . 5.190 4.388 4.103 4.604 . 0 0 "[ . 1 . 2]" 1
2184 1 113 LEU MD1 1 115 PRO HD2 5.240 . 5.240 5.161 5.025 5.310 0.070 9 0 "[ . 1 . 2]" 1
2185 1 113 LEU MD1 1 117 GLN H 5.500 . 5.500 5.545 5.482 5.600 0.100 4 0 "[ . 1 . 2]" 1
2186 1 113 LEU MD1 1 117 GLN HB2 3.870 . 3.870 3.700 3.552 3.868 . 0 0 "[ . 1 . 2]" 1
2187 1 113 LEU MD1 1 117 GLN HB3 3.880 . 3.880 3.174 2.891 3.485 . 0 0 "[ . 1 . 2]" 1
2188 1 113 LEU MD1 1 118 ALA H 4.480 . 4.480 3.985 3.687 4.124 . 0 0 "[ . 1 . 2]" 1
2189 1 113 LEU MD1 1 118 ALA HA 3.430 . 3.430 2.781 2.319 3.139 . 0 0 "[ . 1 . 2]" 1
2190 1 113 LEU MD1 1 118 ALA MB 4.070 . 4.070 3.162 2.617 3.470 . 0 0 "[ . 1 . 2]" 1
2191 1 113 LEU MD2 1 115 PRO HD2 5.500 . 5.500 4.442 4.151 4.727 . 0 0 "[ . 1 . 2]" 1
2192 1 113 LEU MD2 1 117 GLN H 5.500 . 5.500 5.043 4.899 5.106 . 0 0 "[ . 1 . 2]" 1
2193 1 113 LEU MD2 1 117 GLN HB2 4.190 . 4.190 3.041 2.910 3.197 . 0 0 "[ . 1 . 2]" 1
2194 1 113 LEU MD2 1 117 GLN HE21 4.290 . 4.290 2.752 2.558 2.907 . 0 0 "[ . 1 . 2]" 1
2195 1 113 LEU MD2 1 117 GLN HE22 4.510 . 4.510 4.228 4.041 4.409 . 0 0 "[ . 1 . 2]" 1
2196 1 113 LEU MD2 1 117 GLN HG2 4.430 . 4.430 4.245 3.916 4.487 0.057 3 0 "[ . 1 . 2]" 1
2197 1 113 LEU MD2 1 118 ALA H 5.110 . 5.110 4.640 4.355 4.828 . 0 0 "[ . 1 . 2]" 1
2198 1 115 PRO HA 1 118 ALA H 5.320 . 5.320 5.111 5.031 5.220 . 0 0 "[ . 1 . 2]" 1
2199 1 115 PRO HB2 1 116 ASP H 3.510 . 3.510 1.980 1.845 2.128 . 0 0 "[ . 1 . 2]" 1
2200 1 115 PRO HB2 1 117 GLN H 3.180 . 3.180 3.107 3.030 3.189 0.009 20 0 "[ . 1 . 2]" 1
2201 1 115 PRO HB3 1 116 ASP H 3.470 . 3.470 3.347 3.279 3.440 . 0 0 "[ . 1 . 2]" 1
2202 1 115 PRO HG2 1 116 ASP H 4.190 . 4.190 3.580 3.417 3.738 . 0 0 "[ . 1 . 2]" 1
2203 1 115 PRO HG2 1 117 GLN H 3.010 . 3.010 2.353 2.269 2.457 . 0 0 "[ . 1 . 2]" 1
2204 1 115 PRO HG2 1 117 GLN HG2 3.230 . 3.230 2.385 2.245 2.497 . 0 0 "[ . 1 . 2]" 1
2205 1 115 PRO HG2 1 118 ALA H 4.120 . 4.120 4.082 3.931 4.126 0.006 15 0 "[ . 1 . 2]" 1
2206 1 116 ASP H 1 116 ASP HB2 3.350 . 3.350 2.585 2.330 2.864 . 0 0 "[ . 1 . 2]" 1
2207 1 116 ASP H 1 116 ASP HB3 3.730 . 3.730 3.563 3.513 3.608 . 0 0 "[ . 1 . 2]" 1
2208 1 116 ASP H 1 117 GLN H 3.330 . 3.330 2.969 2.862 3.032 . 0 0 "[ . 1 . 2]" 1
2209 1 116 ASP H 1 118 ALA MB 5.500 . 5.500 5.472 5.349 5.555 0.055 5 0 "[ . 1 . 2]" 1
2210 1 116 ASP H 1 119 GLU H 5.390 . 5.390 5.283 5.155 5.402 0.012 16 0 "[ . 1 . 2]" 1
2211 1 116 ASP HA 1 119 GLU H 3.620 . 3.620 2.959 2.782 3.156 . 0 0 "[ . 1 . 2]" 1
2212 1 116 ASP HA 1 119 GLU HB2 4.100 . 4.100 2.961 2.718 3.205 . 0 0 "[ . 1 . 2]" 1
2213 1 116 ASP HA 1 119 GLU QG 4.040 . 4.040 2.516 2.095 3.062 . 0 0 "[ . 1 . 2]" 1
2214 1 116 ASP HA 1 120 TYR H 4.410 . 4.410 4.209 4.058 4.354 . 0 0 "[ . 1 . 2]" 1
2215 1 116 ASP HB2 1 117 GLN H 3.790 . 3.790 3.210 3.060 3.376 . 0 0 "[ . 1 . 2]" 1
2216 1 116 ASP HB2 1 118 ALA H 5.500 . 5.500 5.363 5.248 5.436 . 0 0 "[ . 1 . 2]" 1
2217 1 116 ASP HB2 1 119 GLU H 5.270 . 5.270 5.241 5.161 5.295 0.025 17 0 "[ . 1 . 2]" 1
2218 1 116 ASP HB2 1 119 GLU HB2 4.880 . 4.880 4.828 4.700 4.901 0.021 18 0 "[ . 1 . 2]" 1
2219 1 116 ASP HB2 1 120 TYR HD1 4.530 . 4.530 4.233 3.811 4.475 . 0 0 "[ . 1 . 2]" 1
2220 1 116 ASP HB2 1 120 TYR HE1 4.110 . 4.110 3.896 3.791 3.996 . 0 0 "[ . 1 . 2]" 1
2221 1 116 ASP HB3 1 117 GLN H 4.190 . 4.190 4.116 3.991 4.199 0.009 10 0 "[ . 1 . 2]" 1
2222 1 116 ASP HB3 1 119 GLU HB2 4.610 . 4.610 3.355 3.182 3.577 . 0 0 "[ . 1 . 2]" 1
2223 1 116 ASP HB3 1 119 GLU HB3 5.100 . 5.100 4.904 4.699 5.112 0.012 16 0 "[ . 1 . 2]" 1
2224 1 116 ASP HB3 1 120 TYR H 4.800 . 4.800 4.235 4.019 4.527 . 0 0 "[ . 1 . 2]" 1
2225 1 117 GLN H 1 117 GLN HB2 2.870 . 2.870 2.425 2.343 2.475 . 0 0 "[ . 1 . 2]" 1
2226 1 117 GLN H 1 117 GLN HE22 5.460 . 5.460 5.505 5.476 5.558 0.098 13 0 "[ . 1 . 2]" 1
2227 1 117 GLN H 1 117 GLN HG2 3.500 . 3.500 2.249 2.139 2.309 . 0 0 "[ . 1 . 2]" 1
2228 1 117 GLN H 1 118 ALA H 2.960 . 2.960 2.833 2.739 2.885 . 0 0 "[ . 1 . 2]" 1
2229 1 117 GLN H 1 118 ALA MB 5.270 . 5.270 4.476 4.375 4.525 . 0 0 "[ . 1 . 2]" 1
2230 1 117 GLN H 1 119 GLU H 4.440 . 4.440 4.267 4.157 4.342 . 0 0 "[ . 1 . 2]" 1
2231 1 117 GLN H 1 120 TYR HB2 5.470 . 5.470 5.078 4.881 5.228 . 0 0 "[ . 1 . 2]" 1
2232 1 117 GLN HA 1 117 GLN HE21 4.660 . 4.660 3.087 2.839 3.273 . 0 0 "[ . 1 . 2]" 1
2233 1 117 GLN HA 1 117 GLN HE22 5.080 . 5.080 3.491 3.388 3.622 . 0 0 "[ . 1 . 2]" 1
2234 1 117 GLN HA 1 117 GLN HG2 3.860 . 3.860 3.077 3.028 3.131 . 0 0 "[ . 1 . 2]" 1
2235 1 117 GLN HA 1 119 GLU H 4.570 . 4.570 4.387 4.258 4.504 . 0 0 "[ . 1 . 2]" 1
2236 1 117 GLN HA 1 120 TYR H 3.880 . 3.880 3.511 3.357 3.655 . 0 0 "[ . 1 . 2]" 1
2237 1 117 GLN HA 1 121 CYS H 5.280 . 5.280 4.226 4.155 4.327 . 0 0 "[ . 1 . 2]" 1
2238 1 117 GLN HB2 1 118 ALA H 3.190 . 3.190 2.604 2.456 2.703 . 0 0 "[ . 1 . 2]" 1
2239 1 117 GLN HB3 1 117 GLN HE21 4.200 . 4.200 1.990 1.885 2.106 . 0 0 "[ . 1 . 2]" 1
2240 1 117 GLN HB3 1 118 ALA H 4.120 . 4.120 3.566 3.461 3.651 . 0 0 "[ . 1 . 2]" 1
2241 1 117 GLN HB3 1 121 CYS H 5.500 . 5.500 5.071 4.987 5.282 . 0 0 "[ . 1 . 2]" 1
2242 1 117 GLN HE21 1 117 GLN HG3 3.350 . 3.350 2.732 2.587 2.891 . 0 0 "[ . 1 . 2]" 1
2243 1 117 GLN HE21 1 118 ALA H 5.500 . 5.500 5.429 5.280 5.579 0.079 1 0 "[ . 1 . 2]" 1
2244 1 117 GLN HE22 1 117 GLN HG3 3.800 . 3.800 3.706 3.634 3.780 . 0 0 "[ . 1 . 2]" 1
2245 1 117 GLN HG2 1 118 ALA H 4.640 . 4.640 4.439 4.330 4.509 . 0 0 "[ . 1 . 2]" 1
2246 1 118 ALA H 1 118 ALA MB 2.700 . 2.700 2.189 2.155 2.214 . 0 0 "[ . 1 . 2]" 1
2247 1 118 ALA H 1 119 GLU H 3.190 . 3.190 2.673 2.585 2.730 . 0 0 "[ . 1 . 2]" 1
2248 1 118 ALA H 1 119 GLU HB2 4.990 . 4.990 4.910 4.810 5.001 0.011 10 0 "[ . 1 . 2]" 1
2249 1 118 ALA H 1 119 GLU QG 4.450 . 4.450 4.106 3.888 4.269 . 0 0 "[ . 1 . 2]" 1
2250 1 118 ALA H 1 120 TYR H 4.480 . 4.480 4.193 4.124 4.295 . 0 0 "[ . 1 . 2]" 1
2251 1 118 ALA H 1 121 CYS H 4.980 . 4.980 4.612 4.535 4.662 . 0 0 "[ . 1 . 2]" 1
2252 1 118 ALA H 1 121 CYS HB2 4.920 . 4.920 4.921 4.808 4.961 0.041 3 0 "[ . 1 . 2]" 1
2253 1 118 ALA HA 1 120 TYR H 4.830 . 4.830 4.482 4.418 4.605 . 0 0 "[ . 1 . 2]" 1
2254 1 118 ALA HA 1 121 CYS H 3.770 . 3.770 3.252 3.103 3.383 . 0 0 "[ . 1 . 2]" 1
2255 1 118 ALA HA 1 121 CYS HB2 4.180 . 4.180 2.344 2.201 2.478 . 0 0 "[ . 1 . 2]" 1
2256 1 118 ALA HA 1 121 CYS HB3 4.690 . 4.690 3.933 3.811 4.042 . 0 0 "[ . 1 . 2]" 1
2257 1 118 ALA HA 1 122 ILE H 4.650 . 4.650 4.050 3.947 4.139 . 0 0 "[ . 1 . 2]" 1
2258 1 118 ALA MB 1 119 GLU H 2.880 . 2.880 2.621 2.540 2.705 . 0 0 "[ . 1 . 2]" 1
2259 1 118 ALA MB 1 119 GLU HB2 4.990 . 4.990 4.655 4.507 4.759 . 0 0 "[ . 1 . 2]" 1
2260 1 118 ALA MB 1 120 TYR H 4.970 . 4.970 4.542 4.491 4.601 . 0 0 "[ . 1 . 2]" 1
2261 1 118 ALA MB 1 121 CYS H 4.620 . 4.620 4.351 4.259 4.414 . 0 0 "[ . 1 . 2]" 1
2262 1 118 ALA MB 1 121 CYS HB2 4.970 . 4.970 3.785 3.648 3.941 . 0 0 "[ . 1 . 2]" 1
2263 1 118 ALA MB 1 122 ILE HG13 4.480 . 4.480 3.846 3.726 3.968 . 0 0 "[ . 1 . 2]" 1
2264 1 119 GLU H 1 119 GLU HB2 2.900 . 2.900 2.488 2.420 2.584 . 0 0 "[ . 1 . 2]" 1
2265 1 119 GLU H 1 119 GLU HB3 3.620 . 3.620 3.593 3.541 3.620 . 0 0 "[ . 1 . 2]" 1
2266 1 119 GLU H 1 119 GLU HG2 3.320 . 3.320 2.668 1.949 3.325 0.005 16 0 "[ . 1 . 2]" 1
2267 1 119 GLU H 1 119 GLU QG 2.730 . 2.730 2.159 1.937 2.353 . 0 0 "[ . 1 . 2]" 1
2268 1 119 GLU H 1 119 GLU HG3 3.320 . 3.320 2.726 2.177 3.430 0.110 17 0 "[ . 1 . 2]" 1
2269 1 119 GLU H 1 120 TYR H 3.110 . 3.110 2.576 2.513 2.640 . 0 0 "[ . 1 . 2]" 1
2270 1 119 GLU H 1 120 TYR HB2 4.870 . 4.870 4.538 4.440 4.609 . 0 0 "[ . 1 . 2]" 1
2271 1 119 GLU H 1 120 TYR HD1 3.910 . 3.910 3.911 3.860 3.961 0.051 17 0 "[ . 1 . 2]" 1
2272 1 119 GLU H 1 121 CYS HB2 4.790 . 4.790 4.825 4.808 4.846 0.056 20 0 "[ . 1 . 2]" 1
2273 1 119 GLU H 1 122 ILE H 5.100 . 5.100 4.634 4.554 4.731 . 0 0 "[ . 1 . 2]" 1
2274 1 119 GLU H 1 122 ILE MD 4.010 . 4.010 3.836 3.648 3.944 . 0 0 "[ . 1 . 2]" 1
2275 1 119 GLU HA 1 120 TYR HD1 5.180 . 5.180 4.825 4.760 4.918 . 0 0 "[ . 1 . 2]" 1
2276 1 119 GLU HA 1 122 ILE H 3.870 . 3.870 3.264 3.131 3.505 . 0 0 "[ . 1 . 2]" 1
2277 1 119 GLU HA 1 122 ILE HB 3.780 . 3.780 2.678 2.508 2.969 . 0 0 "[ . 1 . 2]" 1
2278 1 119 GLU HA 1 122 ILE MD 3.630 . 3.630 2.047 1.939 2.116 . 0 0 "[ . 1 . 2]" 1
2279 1 119 GLU HA 1 122 ILE MG 5.080 . 5.080 4.082 3.967 4.257 . 0 0 "[ . 1 . 2]" 1
2280 1 119 GLU HA 1 123 ALA H 5.500 . 5.500 4.100 3.963 4.433 . 0 0 "[ . 1 . 2]" 1
2281 1 119 GLU HB2 1 120 TYR H 3.310 . 3.310 2.592 2.423 2.727 . 0 0 "[ . 1 . 2]" 1
2282 1 119 GLU HB3 1 120 TYR H 3.810 . 3.810 3.690 3.576 3.803 . 0 0 "[ . 1 . 2]" 1
2283 1 119 GLU HB3 1 120 TYR HE1 4.930 . 4.930 4.935 4.756 4.975 0.045 13 0 "[ . 1 . 2]" 1
2284 1 119 GLU HB3 1 121 CYS H 5.500 . 5.500 5.421 5.333 5.485 . 0 0 "[ . 1 . 2]" 1
2285 1 119 GLU HB3 1 122 ILE MD 4.330 . 4.330 4.146 3.994 4.264 . 0 0 "[ . 1 . 2]" 1
2286 1 119 GLU HB3 1 123 ALA H 5.500 . 5.500 5.109 4.926 5.412 . 0 0 "[ . 1 . 2]" 1
2287 1 119 GLU QG 1 120 TYR H 4.460 . 4.460 3.937 3.789 4.066 . 0 0 "[ . 1 . 2]" 1
2288 1 119 GLU HG2 1 120 TYR H 5.160 . 5.160 4.526 4.034 4.927 . 0 0 "[ . 1 . 2]" 1
2289 1 119 GLU HG3 1 120 TYR H 5.160 . 5.160 4.419 4.183 4.769 . 0 0 "[ . 1 . 2]" 1
2290 1 120 TYR H 1 120 TYR HB2 2.880 . 2.880 2.288 2.232 2.327 . 0 0 "[ . 1 . 2]" 1
2291 1 120 TYR H 1 120 TYR HB3 3.580 . 3.580 3.559 3.521 3.577 . 0 0 "[ . 1 . 2]" 1
2292 1 120 TYR H 1 120 TYR HD1 3.270 . 3.270 2.069 2.020 2.104 . 0 0 "[ . 1 . 2]" 1
2293 1 120 TYR H 1 120 TYR HE1 4.450 . 4.450 4.477 4.465 4.517 0.067 17 0 "[ . 1 . 2]" 1
2294 1 120 TYR H 1 121 CYS H 3.180 . 3.180 2.586 2.515 2.641 . 0 0 "[ . 1 . 2]" 1
2295 1 120 TYR H 1 121 CYS HB2 4.670 . 4.670 4.643 4.579 4.671 0.001 11 0 "[ . 1 . 2]" 1
2296 1 120 TYR H 1 122 ILE H 4.490 . 4.490 4.212 4.115 4.299 . 0 0 "[ . 1 . 2]" 1
2297 1 120 TYR H 1 122 ILE MD 5.010 . 5.010 4.903 4.792 5.000 . 0 0 "[ . 1 . 2]" 1
2298 1 120 TYR HA 1 120 TYR HD1 3.480 . 3.480 3.069 2.955 3.230 . 0 0 "[ . 1 . 2]" 1
2299 1 120 TYR HA 1 123 ALA H 5.500 . 5.500 3.417 3.292 3.532 . 0 0 "[ . 1 . 2]" 1
2300 1 120 TYR HB2 1 120 TYR HD1 3.190 . 3.190 2.933 2.795 3.017 . 0 0 "[ . 1 . 2]" 1
2301 1 120 TYR HB2 1 120 TYR HE1 4.990 . 4.990 4.975 4.896 5.013 0.023 13 0 "[ . 1 . 2]" 1
2302 1 120 TYR HB2 1 121 CYS H 3.150 . 3.150 2.912 2.830 3.047 . 0 0 "[ . 1 . 2]" 1
2303 1 120 TYR HB2 1 121 CYS HA 4.750 . 4.750 4.592 4.514 4.703 . 0 0 "[ . 1 . 2]" 1
2304 1 120 TYR HB3 1 120 TYR HD2 3.170 . 3.170 2.343 2.316 2.368 . 0 0 "[ . 1 . 2]" 1
2305 1 120 TYR HB3 1 120 TYR HE2 4.840 . 4.840 4.682 4.634 4.703 . 0 0 "[ . 1 . 2]" 1
2306 1 120 TYR HB3 1 121 CYS H 3.870 . 3.870 3.680 3.560 3.753 . 0 0 "[ . 1 . 2]" 1
2307 1 121 CYS H 1 121 CYS HB2 3.100 . 3.100 2.291 2.243 2.326 . 0 0 "[ . 1 . 2]" 1
2308 1 121 CYS H 1 121 CYS HB3 3.680 . 3.680 3.568 3.544 3.584 . 0 0 "[ . 1 . 2]" 1
2309 1 121 CYS H 1 122 ILE H 3.210 . 3.210 2.556 2.499 2.609 . 0 0 "[ . 1 . 2]" 1
2310 1 121 CYS H 1 122 ILE MD 4.430 . 4.430 4.526 4.469 4.577 0.147 17 0 "[ . 1 . 2]" 1
2311 1 121 CYS H 1 122 ILE HG13 4.510 . 4.510 4.489 4.378 4.534 0.024 9 0 "[ . 1 . 2]" 1
2312 1 121 CYS H 1 123 ALA H 4.140 . 4.140 3.930 3.805 4.050 . 0 0 "[ . 1 . 2]" 1
2313 1 121 CYS H 1 124 ARG H 5.500 . 5.500 4.956 4.699 5.147 . 0 0 "[ . 1 . 2]" 1
2314 1 121 CYS H 1 124 ARG QD 5.340 . 5.340 4.962 4.452 5.210 . 0 0 "[ . 1 . 2]" 1
2315 1 121 CYS HA 1 124 ARG H 3.820 . 3.820 3.482 3.281 3.677 . 0 0 "[ . 1 . 2]" 1
2316 1 121 CYS HB2 1 122 ILE H 3.520 . 3.520 2.653 2.542 2.807 . 0 0 "[ . 1 . 2]" 1
2317 1 121 CYS HB2 1 122 ILE MD 4.490 . 4.490 4.296 4.209 4.421 . 0 0 "[ . 1 . 2]" 1
2318 1 121 CYS HB2 1 123 ALA H 5.220 . 5.220 4.975 4.870 5.121 . 0 0 "[ . 1 . 2]" 1
2319 1 121 CYS HB2 1 124 ARG H 5.500 . 5.500 5.455 5.362 5.571 0.071 13 0 "[ . 1 . 2]" 1
2320 1 121 CYS HB3 1 122 ILE H 3.700 . 3.700 3.468 3.364 3.569 . 0 0 "[ . 1 . 2]" 1
2321 1 121 CYS HB3 1 123 ALA H 5.480 . 5.480 5.407 5.231 5.487 0.007 8 0 "[ . 1 . 2]" 1
2322 1 121 CYS HB3 1 124 ARG H 5.380 . 5.380 5.009 4.917 5.144 . 0 0 "[ . 1 . 2]" 1
2323 1 121 CYS HB3 1 125 MET ME 3.530 . 3.530 2.368 2.163 2.562 . 0 0 "[ . 1 . 2]" 1
2324 1 122 ILE H 1 122 ILE HB 3.010 . 3.010 2.391 2.335 2.445 . 0 0 "[ . 1 . 2]" 1
2325 1 122 ILE H 1 122 ILE MD 3.020 . 3.020 3.058 3.030 3.101 0.081 1 0 "[ . 1 . 2]" 1
2326 1 122 ILE H 1 122 ILE HG12 4.670 . 4.670 3.758 3.679 3.820 . 0 0 "[ . 1 . 2]" 1
2327 1 122 ILE H 1 122 ILE HG13 3.230 . 3.230 2.311 2.199 2.397 . 0 0 "[ . 1 . 2]" 1
2328 1 122 ILE H 1 122 ILE MG 4.430 . 4.430 3.777 3.756 3.803 . 0 0 "[ . 1 . 2]" 1
2329 1 122 ILE H 1 123 ALA H 3.250 . 3.250 2.636 2.543 2.699 . 0 0 "[ . 1 . 2]" 1
2330 1 122 ILE H 1 123 ALA MB 4.380 . 4.380 4.304 4.244 4.378 . 0 0 "[ . 1 . 2]" 1
2331 1 122 ILE H 1 124 ARG H 4.500 . 4.500 4.029 3.889 4.155 . 0 0 "[ . 1 . 2]" 1
2332 1 122 ILE HA 1 122 ILE MD 4.040 . 4.040 3.868 3.847 3.883 . 0 0 "[ . 1 . 2]" 1
2333 1 122 ILE HA 1 122 ILE HG12 3.820 . 3.820 2.780 2.741 2.828 . 0 0 "[ . 1 . 2]" 1
2334 1 122 ILE HA 1 122 ILE HG13 3.880 . 3.880 2.607 2.575 2.653 . 0 0 "[ . 1 . 2]" 1
2335 1 122 ILE HA 1 122 ILE MG 3.440 . 3.440 2.524 2.497 2.551 . 0 0 "[ . 1 . 2]" 1
2336 1 122 ILE HA 1 124 ARG H 4.250 . 4.250 3.762 3.489 4.031 . 0 0 "[ . 1 . 2]" 1
2337 1 122 ILE HA 1 125 MET H 4.140 . 4.140 3.279 3.175 3.406 . 0 0 "[ . 1 . 2]" 1
2338 1 122 ILE HA 1 125 MET ME 4.720 . 4.720 3.902 3.304 4.366 . 0 0 "[ . 1 . 2]" 1
2339 1 122 ILE HA 1 138 LEU MD1 3.520 . 3.520 2.368 2.169 2.548 . 0 0 "[ . 1 . 2]" 1
2340 1 122 ILE HB 1 122 ILE MD 3.190 . 3.190 2.285 2.239 2.315 . 0 0 "[ . 1 . 2]" 1
2341 1 122 ILE HB 1 123 ALA H 3.200 . 3.200 2.694 2.609 2.854 . 0 0 "[ . 1 . 2]" 1
2342 1 122 ILE HB 1 123 ALA MB 4.260 . 4.260 4.032 3.962 4.094 . 0 0 "[ . 1 . 2]" 1
2343 1 122 ILE MD 1 123 ALA H 4.360 . 4.360 4.400 4.355 4.493 0.133 10 0 "[ . 1 . 2]" 1
2344 1 122 ILE HG13 1 122 ILE MG 3.510 . 3.510 3.183 3.160 3.196 . 0 0 "[ . 1 . 2]" 1
2345 1 122 ILE HG13 1 123 ALA H 4.490 . 4.490 4.414 4.372 4.461 . 0 0 "[ . 1 . 2]" 1
2346 1 122 ILE MG 1 123 ALA H 3.960 . 3.960 3.413 3.271 3.551 . 0 0 "[ . 1 . 2]" 1
2347 1 122 ILE MG 1 123 ALA HA 4.400 . 4.400 3.417 3.318 3.540 . 0 0 "[ . 1 . 2]" 1
2348 1 123 ALA H 1 123 ALA MB 2.630 . 2.630 2.226 2.170 2.256 . 0 0 "[ . 1 . 2]" 1
2349 1 123 ALA H 1 124 ARG HB2 5.090 . 5.090 4.674 4.278 5.109 0.019 10 0 "[ . 1 . 2]" 1
2350 1 123 ALA H 1 124 ARG HD2 5.500 . 5.500 4.653 3.961 5.528 0.028 10 0 "[ . 1 . 2]" 1
2351 1 123 ALA H 1 124 ARG HD3 5.500 . 5.500 5.225 4.737 5.556 0.056 10 0 "[ . 1 . 2]" 1
2352 1 124 ARG H 1 124 ARG HB2 3.390 . 3.390 2.413 2.143 3.307 . 0 0 "[ . 1 . 2]" 1
2353 1 124 ARG H 1 124 ARG HB3 3.680 . 3.680 3.446 2.082 3.696 0.016 1 0 "[ . 1 . 2]" 1
2354 1 124 ARG H 1 124 ARG HD2 4.220 . 4.220 3.400 2.854 4.168 . 0 0 "[ . 1 . 2]" 1
2355 1 124 ARG H 1 124 ARG QD 3.660 . 3.660 3.162 2.811 3.692 0.032 10 0 "[ . 1 . 2]" 1
2356 1 124 ARG H 1 124 ARG HD3 4.220 . 4.220 3.876 3.554 4.232 0.012 16 0 "[ . 1 . 2]" 1
2357 1 124 ARG H 1 124 ARG HG2 5.040 . 5.040 4.621 3.684 4.817 . 0 0 "[ . 1 . 2]" 1
2358 1 124 ARG H 1 124 ARG QG 4.410 . 4.410 3.859 3.416 4.094 . 0 0 "[ . 1 . 2]" 1
2359 1 124 ARG H 1 124 ARG HG3 5.040 . 5.040 4.171 3.534 4.551 . 0 0 "[ . 1 . 2]" 1
2360 1 124 ARG H 1 125 MET H 2.940 . 2.940 2.085 1.917 2.311 . 0 0 "[ . 1 . 2]" 1
2361 1 124 ARG H 1 125 MET HA 4.850 . 4.850 4.754 4.625 4.883 0.033 5 0 "[ . 1 . 2]" 1
2362 1 124 ARG H 1 125 MET HB2 4.230 . 4.230 3.929 3.718 4.128 . 0 0 "[ . 1 . 2]" 1
2363 1 124 ARG H 1 148 TYR H 5.500 . 5.500 5.447 5.227 5.538 0.038 17 0 "[ . 1 . 2]" 1
2364 1 124 ARG H 1 149 GLY H 5.500 . 5.500 5.080 4.789 5.502 0.002 19 0 "[ . 1 . 2]" 1
2365 1 124 ARG HA 1 147 LEU HA 4.130 . 4.130 3.835 3.284 4.136 0.006 2 0 "[ . 1 . 2]" 1
2366 1 124 ARG HA 1 147 LEU QB 4.490 . 4.490 2.980 2.308 3.910 . 0 0 "[ . 1 . 2]" 1
2367 1 124 ARG HA 1 148 TYR H 3.240 . 3.240 2.732 2.543 3.213 . 0 0 "[ . 1 . 2]" 1
2368 1 124 ARG HB3 1 125 MET H 3.700 . 3.700 3.517 3.168 3.716 0.016 11 0 "[ . 1 . 2]" 1
2369 1 124 ARG QG 1 147 LEU HA 4.820 . 4.820 4.496 4.046 4.841 0.021 10 0 "[ . 1 . 2]" 1
2370 1 124 ARG HG2 1 147 LEU HA 5.500 . 5.500 5.462 5.059 5.537 0.037 4 0 "[ . 1 . 2]" 1
2371 1 124 ARG HG3 1 147 LEU HA 5.500 . 5.500 4.827 4.159 5.529 0.029 20 0 "[ . 1 . 2]" 1
2372 1 125 MET H 1 125 MET HB2 3.070 . 3.070 2.150 2.046 2.290 . 0 0 "[ . 1 . 2]" 1
2373 1 125 MET H 1 125 MET HG3 4.220 . 4.220 4.126 4.025 4.255 0.035 13 0 "[ . 1 . 2]" 1
2374 1 125 MET H 1 126 ALA H 4.630 . 4.630 4.638 4.565 4.679 0.049 11 0 "[ . 1 . 2]" 1
2375 1 125 MET H 1 138 LEU MD1 4.660 . 4.660 4.131 3.979 4.355 . 0 0 "[ . 1 . 2]" 1
2376 1 125 MET H 1 147 LEU HA 5.500 . 5.500 5.390 5.051 5.528 0.028 1 0 "[ . 1 . 2]" 1
2377 1 125 MET H 1 148 TYR H 5.500 . 5.500 5.303 4.997 5.501 0.001 19 0 "[ . 1 . 2]" 1
2378 1 125 MET HA 1 126 ALA H 2.920 . 2.920 2.323 2.188 2.612 . 0 0 "[ . 1 . 2]" 1
2379 1 125 MET HA 1 126 ALA MB 4.090 . 4.090 3.936 3.900 4.013 . 0 0 "[ . 1 . 2]" 1
2380 1 125 MET HB3 1 126 ALA H 3.920 . 3.920 3.353 2.701 3.827 . 0 0 "[ . 1 . 2]" 1
2381 1 125 MET HB3 1 138 LEU MD1 3.510 . 3.510 2.218 2.110 2.444 . 0 0 "[ . 1 . 2]" 1
2382 1 125 MET ME 1 125 MET HG2 3.490 . 3.490 3.417 3.376 3.451 . 0 0 "[ . 1 . 2]" 1
2383 1 125 MET ME 1 126 ALA H 5.500 . 5.500 4.726 4.539 4.845 . 0 0 "[ . 1 . 2]" 1
2384 1 125 MET ME 1 143 PHE HD2 4.190 . 4.190 3.337 2.593 4.203 0.013 10 0 "[ . 1 . 2]" 1
2385 1 125 MET HG2 1 126 ALA H 3.900 . 3.900 2.515 1.990 3.339 . 0 0 "[ . 1 . 2]" 1
2386 1 125 MET HG2 1 126 ALA MB 4.690 . 4.690 3.892 3.593 4.456 . 0 0 "[ . 1 . 2]" 1
2387 1 125 MET HG2 1 138 LEU MD1 5.150 . 5.150 3.470 3.125 3.718 . 0 0 "[ . 1 . 2]" 1
2388 1 125 MET HG2 1 138 LEU MD2 4.680 . 4.680 3.797 3.492 4.079 . 0 0 "[ . 1 . 2]" 1
2389 1 125 MET HG2 1 140 TYR HA 4.780 . 4.780 2.940 2.702 3.300 . 0 0 "[ . 1 . 2]" 1
2390 1 125 MET HG2 1 143 PHE HB2 5.070 . 5.070 3.106 2.831 3.525 . 0 0 "[ . 1 . 2]" 1
2391 1 125 MET HG2 1 143 PHE HB3 4.850 . 4.850 4.485 4.167 4.809 . 0 0 "[ . 1 . 2]" 1
2392 1 125 MET HG3 1 126 ALA H 4.060 . 4.060 2.852 2.718 2.974 . 0 0 "[ . 1 . 2]" 1
2393 1 125 MET HG3 1 126 ALA MB 4.580 . 4.580 4.398 4.239 4.515 . 0 0 "[ . 1 . 2]" 1
2394 1 125 MET HG3 1 138 LEU MD1 5.500 . 5.500 4.292 4.151 4.432 . 0 0 "[ . 1 . 2]" 1
2395 1 125 MET HG3 1 143 PHE H 4.630 . 4.630 4.278 4.077 4.510 . 0 0 "[ . 1 . 2]" 1
2396 1 125 MET HG3 1 143 PHE HB3 4.690 . 4.690 3.302 3.025 3.518 . 0 0 "[ . 1 . 2]" 1
2397 1 125 MET HG3 1 143 PHE HD1 5.120 . 5.120 3.981 3.542 4.266 . 0 0 "[ . 1 . 2]" 1
2398 1 125 MET HG3 1 143 PHE HD2 4.580 . 4.580 4.039 3.573 4.389 . 0 0 "[ . 1 . 2]" 1
2399 1 126 ALA H 1 126 ALA MB 2.890 . 2.890 2.215 2.166 2.337 . 0 0 "[ . 1 . 2]" 1
2400 1 126 ALA H 1 127 PRO HD3 4.970 . 4.970 5.037 4.999 5.104 0.134 13 0 "[ . 1 . 2]" 1
2401 1 126 ALA H 1 138 LEU MD1 5.500 . 5.500 5.028 4.550 5.269 . 0 0 "[ . 1 . 2]" 1
2402 1 126 ALA H 1 138 LEU MD2 4.840 . 4.840 4.361 3.867 4.612 . 0 0 "[ . 1 . 2]" 1
2403 1 126 ALA H 1 139 ASP H 5.040 . 5.040 4.089 3.754 4.375 . 0 0 "[ . 1 . 2]" 1
2404 1 126 ALA H 1 139 ASP HB3 5.030 . 5.030 4.459 4.209 4.797 . 0 0 "[ . 1 . 2]" 1
2405 1 126 ALA H 1 142 SER H 5.460 . 5.460 5.279 5.149 5.476 0.016 15 0 "[ . 1 . 2]" 1
2406 1 126 ALA H 1 143 PHE H 4.930 . 4.930 3.992 3.784 4.213 . 0 0 "[ . 1 . 2]" 1
2407 1 126 ALA H 1 143 PHE HA 4.030 . 4.030 3.117 2.444 3.680 . 0 0 "[ . 1 . 2]" 1
2408 1 126 ALA H 1 143 PHE HB2 5.280 . 5.280 2.680 2.404 2.939 . 0 0 "[ . 1 . 2]" 1
2409 1 126 ALA H 1 143 PHE HB3 5.100 . 5.100 4.343 4.026 4.534 . 0 0 "[ . 1 . 2]" 1
2410 1 126 ALA H 1 148 TYR QE 5.470 . 5.470 5.200 4.881 5.406 . 0 0 "[ . 1 . 2]" 1
2411 1 126 ALA HA 1 127 PRO HD2 3.580 . 3.580 2.449 2.390 2.498 . 0 0 "[ . 1 . 2]" 1
2412 1 126 ALA HA 1 127 PRO HD3 3.140 . 3.140 2.412 2.376 2.473 . 0 0 "[ . 1 . 2]" 1
2413 1 126 ALA HA 1 127 PRO QG 4.410 . 4.410 4.093 4.057 4.125 . 0 0 "[ . 1 . 2]" 1
2414 1 126 ALA HA 1 148 TYR QD 4.200 . 4.200 3.450 3.077 3.937 . 0 0 "[ . 1 . 2]" 1
2415 1 126 ALA HA 1 148 TYR QE 3.880 . 3.880 3.744 2.966 3.921 0.041 17 0 "[ . 1 . 2]" 1
2416 1 126 ALA MB 1 127 PRO HD2 3.170 . 3.170 2.569 2.485 2.627 . 0 0 "[ . 1 . 2]" 1
2417 1 126 ALA MB 1 127 PRO HD3 3.620 . 3.620 3.629 3.582 3.679 0.059 13 0 "[ . 1 . 2]" 1
2418 1 126 ALA MB 1 139 ASP H 3.900 . 3.900 3.273 3.086 3.382 . 0 0 "[ . 1 . 2]" 1
2419 1 126 ALA MB 1 139 ASP HB2 4.830 . 4.830 3.883 3.658 4.012 . 0 0 "[ . 1 . 2]" 1
2420 1 126 ALA MB 1 139 ASP HB3 3.430 . 3.430 2.495 2.287 2.646 . 0 0 "[ . 1 . 2]" 1
2421 1 126 ALA MB 1 140 TYR H 5.450 . 5.450 5.292 5.188 5.414 . 0 0 "[ . 1 . 2]" 1
2422 1 126 ALA MB 1 141 MET H 5.500 . 5.500 5.555 5.499 5.737 0.237 13 0 "[ . 1 . 2]" 1
2423 1 126 ALA MB 1 142 SER HB2 4.100 . 4.100 3.461 3.311 3.655 . 0 0 "[ . 1 . 2]" 1
2424 1 126 ALA MB 1 142 SER HB3 4.290 . 4.290 2.037 1.926 2.218 . 0 0 "[ . 1 . 2]" 1
2425 1 126 ALA MB 1 143 PHE H 3.800 . 3.800 3.491 3.387 3.686 . 0 0 "[ . 1 . 2]" 1
2426 1 126 ALA MB 1 143 PHE HB2 3.580 . 3.580 3.662 3.576 3.731 0.151 14 0 "[ . 1 . 2]" 1
2427 1 126 ALA MB 1 143 PHE HB3 4.800 . 4.800 4.687 4.491 4.797 . 0 0 "[ . 1 . 2]" 1
2428 1 126 ALA MB 1 143 PHE HD1 4.460 . 4.460 4.213 3.925 4.479 0.019 8 0 "[ . 1 . 2]" 1
2429 1 127 PRO HA 1 128 TYR H 2.600 . 2.600 2.235 2.178 2.282 . 0 0 "[ . 1 . 2]" 1
2430 1 127 PRO HA 1 138 LEU H 5.500 . 5.500 5.287 5.175 5.384 . 0 0 "[ . 1 . 2]" 1
2431 1 127 PRO HA 1 138 LEU MD2 3.500 . 3.500 2.136 2.001 2.332 . 0 0 "[ . 1 . 2]" 1
2432 1 127 PRO HA 1 139 ASP H 3.810 . 3.810 3.358 3.243 3.440 . 0 0 "[ . 1 . 2]" 1
2433 1 127 PRO HB2 1 128 TYR H 3.440 . 3.440 3.063 2.964 3.177 . 0 0 "[ . 1 . 2]" 1
2434 1 127 PRO HB2 1 138 LEU MD2 4.500 . 4.500 4.202 4.031 4.410 . 0 0 "[ . 1 . 2]" 1
2435 1 127 PRO HB3 1 128 TYR H 4.030 . 4.030 3.780 3.730 3.843 . 0 0 "[ . 1 . 2]" 1
2436 1 127 PRO HB3 1 138 LEU MD2 4.780 . 4.780 3.359 3.182 3.541 . 0 0 "[ . 1 . 2]" 1
2437 1 127 PRO HD3 1 128 TYR H 5.500 . 5.500 5.568 5.540 5.595 0.095 11 0 "[ . 1 . 2]" 1
2438 1 127 PRO HD3 1 148 TYR QE 3.670 . 3.670 3.436 2.144 3.673 0.003 1 0 "[ . 1 . 2]" 1
2439 1 128 TYR H 1 128 TYR QD 4.680 . 4.680 4.213 4.157 4.264 . 0 0 "[ . 1 . 2]" 1
2440 1 128 TYR H 1 137 ALA MB 4.040 . 4.040 3.526 3.421 3.622 . 0 0 "[ . 1 . 2]" 1
2441 1 128 TYR H 1 138 LEU H 4.780 . 4.780 4.455 4.359 4.549 . 0 0 "[ . 1 . 2]" 1
2442 1 128 TYR H 1 138 LEU HA 2.970 . 2.970 2.463 2.333 2.596 . 0 0 "[ . 1 . 2]" 1
2443 1 128 TYR H 1 138 LEU MD2 3.380 . 3.380 3.259 3.140 3.384 0.004 12 0 "[ . 1 . 2]" 1
2444 1 128 TYR H 1 139 ASP H 3.600 . 3.600 3.580 3.491 3.635 0.035 17 0 "[ . 1 . 2]" 1
2445 1 128 TYR QD 1 133 SER HA 3.500 . 3.500 2.514 2.402 2.676 . 0 0 "[ . 1 . 2]" 1
2446 1 128 TYR QD 1 133 SER HB2 3.490 . 3.490 2.544 2.401 2.712 . 0 0 "[ . 1 . 2]" 1
2447 1 128 TYR QD 1 133 SER HB3 4.620 . 4.620 2.580 2.431 2.856 . 0 0 "[ . 1 . 2]" 1
2448 1 128 TYR QD 1 134 VAL H 3.540 . 3.540 3.462 3.352 3.558 0.018 9 0 "[ . 1 . 2]" 1
2449 1 128 TYR QD 1 134 VAL QG 4.910 . 4.910 4.324 4.221 4.390 . 0 0 "[ . 1 . 2]" 1
2450 1 128 TYR QD 1 137 ALA H 5.500 . 5.500 4.984 4.743 5.086 . 0 0 "[ . 1 . 2]" 1
2451 1 128 TYR QD 1 137 ALA MB 3.540 . 3.540 2.182 2.079 2.288 . 0 0 "[ . 1 . 2]" 1
2452 1 128 TYR QD 1 138 LEU H 5.500 . 5.500 4.741 4.653 4.848 . 0 0 "[ . 1 . 2]" 1
2453 1 128 TYR QD 1 139 ASP H 4.190 . 4.190 4.154 4.137 4.188 . 0 0 "[ . 1 . 2]" 1
2454 1 128 TYR QD 1 139 ASP HB2 4.860 . 4.860 2.248 2.160 2.382 . 0 0 "[ . 1 . 2]" 1
2455 1 128 TYR QD 1 139 ASP HB3 4.440 . 4.440 3.938 3.865 4.082 . 0 0 "[ . 1 . 2]" 1
2456 1 128 TYR QE 1 130 GLY H 3.940 . 3.940 2.824 2.578 3.450 . 0 0 "[ . 1 . 2]" 1
2457 1 128 TYR QE 1 130 GLY HA2 4.960 . 4.960 4.307 4.264 4.357 . 0 0 "[ . 1 . 2]" 1
2458 1 128 TYR QE 1 131 PRO HA 5.500 . 5.500 5.294 5.171 5.499 . 0 0 "[ . 1 . 2]" 1
2459 1 128 TYR QE 1 131 PRO HG2 4.980 . 4.980 4.770 4.681 4.831 . 0 0 "[ . 1 . 2]" 1
2460 1 128 TYR QE 1 132 ASP H 4.490 . 4.490 2.903 2.770 3.114 . 0 0 "[ . 1 . 2]" 1
2461 1 128 TYR QE 1 132 ASP QB 4.850 . 4.850 3.222 3.027 3.525 . 0 0 "[ . 1 . 2]" 1
2462 1 128 TYR QE 1 133 SER H 3.030 . 3.030 2.794 2.657 3.029 . 0 0 "[ . 1 . 2]" 1
2463 1 128 TYR QE 1 133 SER HA 3.430 . 3.430 2.378 2.245 2.569 . 0 0 "[ . 1 . 2]" 1
2464 1 128 TYR QE 1 133 SER HB2 3.440 . 3.440 3.487 3.451 3.510 0.070 18 0 "[ . 1 . 2]" 1
2465 1 128 TYR QE 1 133 SER HB3 4.770 . 4.770 2.305 2.137 2.570 . 0 0 "[ . 1 . 2]" 1
2466 1 128 TYR QE 1 134 VAL H 4.730 . 4.730 4.419 4.277 4.580 . 0 0 "[ . 1 . 2]" 1
2467 1 128 TYR QE 1 134 VAL QG 5.260 . 5.260 4.677 4.570 4.905 . 0 0 "[ . 1 . 2]" 1
2468 1 128 TYR QE 1 137 ALA MB 4.370 . 4.370 3.725 3.596 3.885 . 0 0 "[ . 1 . 2]" 1
2469 1 130 GLY H 1 133 SER H 4.490 . 4.490 4.125 3.575 4.522 0.032 14 0 "[ . 1 . 2]" 1
2470 1 130 GLY H 1 134 VAL H 5.500 . 5.500 5.533 5.484 5.637 0.137 13 0 "[ . 1 . 2]" 1
2471 1 130 GLY HA2 1 131 PRO HB3 5.500 . 5.500 5.007 4.963 5.055 . 0 0 "[ . 1 . 2]" 1
2472 1 130 GLY HA2 1 131 PRO HG2 5.500 . 5.500 5.088 5.001 5.161 . 0 0 "[ . 1 . 2]" 1
2473 1 130 GLY HA2 1 132 ASP H 5.380 . 5.380 4.630 4.530 4.713 . 0 0 "[ . 1 . 2]" 1
2474 1 130 GLY HA2 1 133 SER H 5.500 . 5.500 5.146 4.957 5.490 . 0 0 "[ . 1 . 2]" 1
2475 1 130 GLY HA3 1 131 PRO HG2 4.890 . 4.890 4.309 4.265 4.356 . 0 0 "[ . 1 . 2]" 1
2476 1 130 GLY HA3 1 131 PRO HG3 5.360 . 5.360 4.851 4.776 4.907 . 0 0 "[ . 1 . 2]" 1
2477 1 131 PRO HA 1 133 SER H 3.890 . 3.890 3.663 3.590 3.752 . 0 0 "[ . 1 . 2]" 1
2478 1 131 PRO QD 1 132 ASP H 3.950 . 3.950 2.773 2.725 2.846 . 0 0 "[ . 1 . 2]" 1
2479 1 131 PRO HG2 1 132 ASP H 3.930 . 3.930 2.318 2.175 2.461 . 0 0 "[ . 1 . 2]" 1
2480 1 131 PRO HG2 1 133 SER H 4.950 . 4.950 4.827 4.660 4.978 0.028 14 0 "[ . 1 . 2]" 1
2481 1 132 ASP H 1 132 ASP HB2 4.180 . 4.180 2.511 2.383 2.835 . 0 0 "[ . 1 . 2]" 1
2482 1 132 ASP H 1 132 ASP HB3 4.180 . 4.180 3.381 2.591 3.660 . 0 0 "[ . 1 . 2]" 1
2483 1 132 ASP H 1 133 SER H 3.440 . 3.440 2.719 2.570 3.004 . 0 0 "[ . 1 . 2]" 1
2484 1 132 ASP HA 1 133 SER H 3.390 . 3.390 3.030 2.837 3.127 . 0 0 "[ . 1 . 2]" 1
2485 1 132 ASP QB 1 133 SER H 4.010 . 4.010 3.726 3.637 3.914 . 0 0 "[ . 1 . 2]" 1
2486 1 132 ASP HB2 1 133 SER H 4.700 . 4.700 4.089 3.846 4.612 . 0 0 "[ . 1 . 2]" 1
2487 1 132 ASP HB3 1 133 SER H 4.700 . 4.700 4.382 3.971 4.497 . 0 0 "[ . 1 . 2]" 1
2488 1 133 SER H 1 133 SER HB2 3.910 . 3.910 3.619 3.591 3.678 . 0 0 "[ . 1 . 2]" 1
2489 1 133 SER H 1 133 SER HB3 2.710 . 2.710 2.524 2.378 2.662 . 0 0 "[ . 1 . 2]" 1
2490 1 133 SER H 1 134 VAL H 4.750 . 4.750 4.591 4.566 4.634 . 0 0 "[ . 1 . 2]" 1
2491 1 133 SER H 1 134 VAL QG 5.130 . 5.130 4.506 4.449 4.598 . 0 0 "[ . 1 . 2]" 1
2492 1 133 SER H 1 137 ALA MB 5.500 . 5.500 5.013 4.848 5.226 . 0 0 "[ . 1 . 2]" 1
2493 1 133 SER HA 1 134 VAL H 2.950 . 2.950 2.160 2.101 2.222 . 0 0 "[ . 1 . 2]" 1
2494 1 133 SER HA 1 134 VAL QG . . 4.610 3.084 3.042 3.141 . 0 0 "[ . 1 . 2]" 1
2495 1 133 SER HA 1 137 ALA H 5.500 . 5.500 5.339 5.010 5.525 0.025 11 0 "[ . 1 . 2]" 1
2496 1 133 SER HA 1 137 ALA MB 4.250 . 4.250 2.699 2.545 2.873 . 0 0 "[ . 1 . 2]" 1
2497 1 133 SER HB2 1 134 VAL H 3.720 . 3.720 2.616 2.460 2.817 . 0 0 "[ . 1 . 2]" 1
2498 1 133 SER HB2 1 134 VAL HA 5.410 . 5.410 4.544 4.434 4.705 . 0 0 "[ . 1 . 2]" 1
2499 1 133 SER HB2 1 137 ALA MB 4.740 . 4.740 2.943 2.785 3.099 . 0 0 "[ . 1 . 2]" 1
2500 1 133 SER HB3 1 134 VAL H 4.280 . 4.280 3.861 3.735 4.032 . 0 0 "[ . 1 . 2]" 1
2501 1 134 VAL H 1 134 VAL HB 4.000 . 4.000 3.827 3.791 3.872 . 0 0 "[ . 1 . 2]" 1
2502 1 134 VAL H 1 134 VAL QG . . 3.120 2.238 2.200 2.321 . 0 0 "[ . 1 . 2]" 1
2503 1 134 VAL H 1 135 PRO HA 5.450 . 5.450 4.786 4.630 5.001 . 0 0 "[ . 1 . 2]" 1
2504 1 134 VAL H 1 137 ALA H 3.820 . 3.820 3.591 3.276 3.823 0.003 11 0 "[ . 1 . 2]" 1
2505 1 134 VAL H 1 137 ALA HA 5.500 . 5.500 4.381 4.266 4.569 . 0 0 "[ . 1 . 2]" 1
2506 1 134 VAL H 1 137 ALA MB 2.980 . 2.980 1.896 1.798 2.066 . 0 0 "[ . 1 . 2]" 1
2507 1 134 VAL HA 1 134 VAL QG 3.310 . 3.310 2.274 2.252 2.301 . 0 0 "[ . 1 . 2]" 1
2508 1 134 VAL HA 1 135 PRO HD2 3.950 . 3.950 3.037 2.750 3.329 . 0 0 "[ . 1 . 2]" 1
2509 1 134 VAL HA 1 135 PRO QD 3.180 . 3.180 2.337 2.110 2.514 . 0 0 "[ . 1 . 2]" 1
2510 1 134 VAL HA 1 135 PRO HD3 3.950 . 3.950 2.479 2.138 2.757 . 0 0 "[ . 1 . 2]" 1
2511 1 134 VAL HA 1 136 GLY H 5.070 . 5.070 4.277 4.072 5.109 0.039 12 0 "[ . 1 . 2]" 1
2512 1 134 VAL HB 1 135 PRO HD2 3.740 . 3.740 2.210 2.014 2.485 . 0 0 "[ . 1 . 2]" 1
2513 1 134 VAL HB 1 135 PRO QD 3.260 . 3.260 2.159 2.000 2.384 . 0 0 "[ . 1 . 2]" 1
2514 1 134 VAL HB 1 135 PRO HD3 3.740 . 3.740 3.236 2.871 3.542 . 0 0 "[ . 1 . 2]" 1
2515 1 134 VAL QG 1 135 PRO HD2 3.880 . 3.880 3.176 3.001 3.389 . 0 0 "[ . 1 . 2]" 1
2516 1 134 VAL QG 1 135 PRO QD 3.970 . 3.970 2.935 2.881 3.011 . 0 0 "[ . 1 . 2]" 1
2517 1 134 VAL QG 1 135 PRO HD3 3.880 . 3.880 3.532 3.240 3.739 . 0 0 "[ . 1 . 2]" 1
2518 1 134 VAL QG 1 137 ALA H 3.400 . 3.400 2.885 2.765 3.100 . 0 0 "[ . 1 . 2]" 1
2519 1 134 VAL QG 1 137 ALA MB 3.440 . 3.440 1.986 1.922 2.027 . 0 0 "[ . 1 . 2]" 1
2520 1 136 GLY H 1 137 ALA H 3.830 . 3.830 2.560 1.724 2.916 . 0 0 "[ . 1 . 2]" 1
2521 1 136 GLY HA2 1 137 ALA H 3.450 . 3.450 2.911 2.793 3.168 . 0 0 "[ . 1 . 2]" 1
2522 1 136 GLY HA3 1 137 ALA H 3.450 . 3.450 3.492 3.382 3.521 0.071 17 0 "[ . 1 . 2]" 1
2523 1 137 ALA H 1 137 ALA MB 2.650 . 2.650 2.277 2.175 2.324 . 0 0 "[ . 1 . 2]" 1
2524 1 137 ALA H 1 138 LEU H 4.630 . 4.630 4.582 4.543 4.635 0.005 12 0 "[ . 1 . 2]" 1
2525 1 137 ALA H 1 138 LEU HG 4.660 . 4.660 4.645 4.561 4.714 0.054 12 0 "[ . 1 . 2]" 1
2526 1 137 ALA HA 1 138 LEU H 3.100 . 3.100 2.170 2.143 2.259 . 0 0 "[ . 1 . 2]" 1
2527 1 137 ALA MB 1 138 LEU H 3.340 . 3.340 2.897 2.757 2.998 . 0 0 "[ . 1 . 2]" 1
2528 1 137 ALA MB 1 138 LEU HA 4.170 . 4.170 4.059 4.029 4.097 . 0 0 "[ . 1 . 2]" 1
2529 1 138 LEU H 1 138 LEU HB2 3.300 . 3.300 2.661 2.622 2.704 . 0 0 "[ . 1 . 2]" 1
2530 1 138 LEU H 1 138 LEU MD2 4.170 . 4.170 4.061 3.948 4.145 . 0 0 "[ . 1 . 2]" 1
2531 1 138 LEU H 1 138 LEU HG 4.320 . 4.320 3.118 2.782 3.245 . 0 0 "[ . 1 . 2]" 1
2532 1 138 LEU H 1 139 ASP H 4.490 . 4.490 4.343 4.306 4.377 . 0 0 "[ . 1 . 2]" 1
2533 1 138 LEU HA 1 138 LEU MD2 3.490 . 3.490 2.293 2.254 2.384 . 0 0 "[ . 1 . 2]" 1
2534 1 138 LEU HA 1 139 ASP H 3.060 . 3.060 2.238 2.197 2.292 . 0 0 "[ . 1 . 2]" 1
2535 1 138 LEU HA 1 139 ASP HB2 4.680 . 4.680 4.409 4.360 4.469 . 0 0 "[ . 1 . 2]" 1
2536 1 138 LEU HB2 1 138 LEU MD1 3.530 . 3.530 2.223 2.155 2.269 . 0 0 "[ . 1 . 2]" 1
2537 1 138 LEU HB2 1 138 LEU MD2 3.200 . 3.200 3.224 3.208 3.238 0.038 17 0 "[ . 1 . 2]" 1
2538 1 138 LEU HB2 1 139 ASP H 4.290 . 4.290 4.021 3.960 4.063 . 0 0 "[ . 1 . 2]" 1
2539 1 138 LEU HB2 1 140 TYR H 5.470 . 5.470 4.817 4.660 5.070 . 0 0 "[ . 1 . 2]" 1
2540 1 138 LEU HB3 1 138 LEU MD2 3.340 . 3.340 2.347 2.294 2.390 . 0 0 "[ . 1 . 2]" 1
2541 1 138 LEU HB3 1 139 ASP H 3.550 . 3.550 3.048 2.963 3.124 . 0 0 "[ . 1 . 2]" 1
2542 1 138 LEU MD2 1 139 ASP H 4.140 . 4.140 3.754 3.656 3.954 . 0 0 "[ . 1 . 2]" 1
2543 1 138 LEU HG 1 139 ASP H 5.040 . 5.040 5.068 5.046 5.098 0.058 1 0 "[ . 1 . 2]" 1
2544 1 139 ASP H 1 139 ASP HB2 3.190 . 3.190 2.652 2.594 2.694 . 0 0 "[ . 1 . 2]" 1
2545 1 139 ASP H 1 139 ASP HB3 3.220 . 3.220 2.596 2.548 2.644 . 0 0 "[ . 1 . 2]" 1
2546 1 139 ASP H 1 140 TYR H 4.480 . 4.480 4.252 4.167 4.335 . 0 0 "[ . 1 . 2]" 1
2547 1 139 ASP H 1 142 SER H 5.500 . 5.500 5.222 5.117 5.364 . 0 0 "[ . 1 . 2]" 1
2548 1 139 ASP H 1 142 SER HB3 5.020 . 5.020 4.509 4.295 4.660 . 0 0 "[ . 1 . 2]" 1
2549 1 139 ASP HB2 1 142 SER H 4.840 . 4.840 4.547 4.420 4.643 . 0 0 "[ . 1 . 2]" 1
2550 1 139 ASP HB3 1 142 SER H 4.010 . 4.010 3.361 3.213 3.511 . 0 0 "[ . 1 . 2]" 1
2551 1 139 ASP HB3 1 143 PHE H 5.020 . 5.020 4.540 4.310 4.745 . 0 0 "[ . 1 . 2]" 1
2552 1 140 TYR H 1 140 TYR HB2 3.650 . 3.650 3.610 3.556 3.663 0.013 11 0 "[ . 1 . 2]" 1
2553 1 140 TYR H 1 140 TYR HB3 3.390 . 3.390 2.401 2.302 2.530 . 0 0 "[ . 1 . 2]" 1
2554 1 140 TYR H 1 140 TYR HD1 3.180 . 3.180 2.366 2.226 2.458 . 0 0 "[ . 1 . 2]" 1
2555 1 140 TYR H 1 140 TYR HE1 4.720 . 4.720 4.654 4.458 4.738 0.018 17 0 "[ . 1 . 2]" 1
2556 1 140 TYR H 1 141 MET H 3.200 . 3.200 2.371 2.252 2.531 . 0 0 "[ . 1 . 2]" 1
2557 1 140 TYR H 1 141 MET HB2 4.570 . 4.570 4.173 3.945 4.407 . 0 0 "[ . 1 . 2]" 1
2558 1 140 TYR H 1 142 SER HB2 5.500 . 5.500 5.547 5.513 5.580 0.080 17 0 "[ . 1 . 2]" 1
2559 1 140 TYR H 1 142 SER HB3 5.500 . 5.500 5.440 5.312 5.533 0.033 17 0 "[ . 1 . 2]" 1
2560 1 140 TYR HA 1 142 SER H 3.880 . 3.880 3.862 3.766 3.919 0.039 5 0 "[ . 1 . 2]" 1
2561 1 140 TYR HA 1 143 PHE H 3.440 . 3.440 3.156 3.027 3.406 . 0 0 "[ . 1 . 2]" 1
2562 1 140 TYR HB2 1 140 TYR HD2 3.640 . 3.640 2.408 2.385 2.433 . 0 0 "[ . 1 . 2]" 1
2563 1 140 TYR HB2 1 141 MET H 4.020 . 4.020 4.051 4.025 4.071 0.051 5 0 "[ . 1 . 2]" 1
2564 1 140 TYR HB2 1 143 PHE H 5.500 . 5.500 4.942 4.803 5.151 . 0 0 "[ . 1 . 2]" 1
2565 1 140 TYR HB3 1 141 MET H 3.870 . 3.870 3.720 3.624 3.815 . 0 0 "[ . 1 . 2]" 1
2566 1 140 TYR HD1 1 141 MET H 3.780 . 3.780 2.957 2.744 3.076 . 0 0 "[ . 1 . 2]" 1
2567 1 140 TYR HD1 1 141 MET HB2 4.180 . 4.180 4.046 3.709 4.220 0.040 11 0 "[ . 1 . 2]" 1
2568 1 140 TYR HD1 1 142 SER H 5.340 . 5.340 5.346 5.185 5.424 0.084 17 0 "[ . 1 . 2]" 1
2569 1 140 TYR HD2 1 141 MET HA 3.810 . 3.810 3.607 3.432 3.729 . 0 0 "[ . 1 . 2]" 1
2570 1 140 TYR HE1 1 141 MET H 4.450 . 4.450 4.122 3.862 4.269 . 0 0 "[ . 1 . 2]" 1
2571 1 140 TYR HE1 1 141 MET HB2 4.210 . 4.210 3.962 3.201 4.235 0.025 15 0 "[ . 1 . 2]" 1
2572 1 140 TYR HE1 1 141 MET QG 4.540 . 4.540 3.818 3.124 4.625 0.085 3 0 "[ . 1 . 2]" 1
2573 1 140 TYR HE2 1 141 MET HA 3.840 . 3.840 3.843 3.686 3.918 0.078 13 0 "[ . 1 . 2]" 1
2574 1 140 TYR HE2 1 141 MET QG 4.530 . 4.530 3.424 2.926 4.113 . 0 0 "[ . 1 . 2]" 1
2575 1 141 MET H 1 141 MET HB2 2.730 . 2.730 2.072 1.965 2.217 . 0 0 "[ . 1 . 2]" 1
2576 1 141 MET H 1 141 MET HG2 4.820 . 4.820 4.100 3.251 4.590 . 0 0 "[ . 1 . 2]" 1
2577 1 141 MET H 1 141 MET QG 4.200 . 4.200 3.460 3.136 3.891 . 0 0 "[ . 1 . 2]" 1
2578 1 141 MET H 1 141 MET HG3 4.820 . 4.820 3.892 3.349 4.326 . 0 0 "[ . 1 . 2]" 1
2579 1 141 MET H 1 142 SER HB2 4.920 . 4.920 4.600 4.503 4.724 . 0 0 "[ . 1 . 2]" 1
2580 1 141 MET H 1 142 SER HB3 5.480 . 5.480 4.972 4.848 5.083 . 0 0 "[ . 1 . 2]" 1
2581 1 141 MET HA 1 141 MET ME 4.500 . 4.500 4.030 2.157 4.481 . 0 0 "[ . 1 . 2]" 1
2582 1 141 MET ME 1 141 MET QG 3.320 . 3.320 2.345 2.145 2.478 . 0 0 "[ . 1 . 2]" 1
2583 1 142 SER H 1 142 SER HB2 3.710 . 3.710 2.423 2.379 2.482 . 0 0 "[ . 1 . 2]" 1
2584 1 142 SER H 1 142 SER HB3 3.640 . 3.640 2.643 2.581 2.693 . 0 0 "[ . 1 . 2]" 1
2585 1 142 SER H 1 143 PHE H 3.060 . 3.060 2.434 2.288 2.490 . 0 0 "[ . 1 . 2]" 1
2586 1 142 SER H 1 143 PHE HB2 4.760 . 4.760 4.723 4.593 4.810 0.050 1 0 "[ . 1 . 2]" 1
2587 1 142 SER H 1 143 PHE HB3 5.000 . 5.000 4.517 4.241 4.669 . 0 0 "[ . 1 . 2]" 1
2588 1 142 SER HB2 1 143 PHE H 4.170 . 4.170 4.019 3.831 4.161 . 0 0 "[ . 1 . 2]" 1
2589 1 142 SER HB3 1 143 PHE H 4.040 . 4.040 3.135 2.756 3.378 . 0 0 "[ . 1 . 2]" 1
2590 1 143 PHE H 1 143 PHE HB2 2.920 . 2.920 2.618 2.519 2.797 . 0 0 "[ . 1 . 2]" 1
2591 1 143 PHE H 1 143 PHE HB3 2.960 . 2.960 2.302 2.110 2.413 . 0 0 "[ . 1 . 2]" 1
2592 1 143 PHE H 1 144 SER HA 5.500 . 5.500 5.421 5.295 5.508 0.008 16 0 "[ . 1 . 2]" 1
2593 1 143 PHE H 1 145 THR MG 5.200 . 5.200 5.030 4.608 5.299 0.099 13 0 "[ . 1 . 2]" 1
2594 1 143 PHE HA 1 143 PHE HD1 3.850 . 3.850 2.378 2.270 2.624 . 0 0 "[ . 1 . 2]" 1
2595 1 143 PHE HA 1 143 PHE HE1 4.920 . 4.920 4.780 4.669 4.985 0.065 17 0 "[ . 1 . 2]" 1
2596 1 143 PHE HA 1 145 THR H 4.170 . 4.170 3.804 3.602 3.990 . 0 0 "[ . 1 . 2]" 1
2597 1 143 PHE HA 1 146 ALA H 3.600 . 3.600 3.152 3.043 3.432 . 0 0 "[ . 1 . 2]" 1
2598 1 143 PHE HA 1 146 ALA MB 5.100 . 5.100 3.968 3.630 4.556 . 0 0 "[ . 1 . 2]" 1
2599 1 143 PHE HB2 1 144 SER H 4.090 . 4.090 4.033 3.938 4.110 0.020 10 0 "[ . 1 . 2]" 1
2600 1 143 PHE HB3 1 144 SER H 4.020 . 4.020 2.717 2.603 2.840 . 0 0 "[ . 1 . 2]" 1
2601 1 143 PHE HB3 1 145 THR H 5.260 . 5.260 4.971 4.779 5.201 . 0 0 "[ . 1 . 2]" 1
2602 1 143 PHE HD1 1 144 SER HA 5.320 . 5.320 5.131 4.448 5.396 0.076 1 0 "[ . 1 . 2]" 1
2603 1 143 PHE HD1 1 147 LEU QB 4.740 . 4.740 2.864 2.292 4.333 . 0 0 "[ . 1 . 2]" 1
2604 1 143 PHE HD2 1 144 SER H 3.990 . 3.990 3.984 3.444 4.106 0.116 13 0 "[ . 1 . 2]" 1
2605 1 143 PHE HD2 1 144 SER HA 4.920 . 4.920 4.598 4.282 4.782 . 0 0 "[ . 1 . 2]" 1
2606 1 144 SER H 1 144 SER HB2 3.810 . 3.810 2.657 2.072 3.575 . 0 0 "[ . 1 . 2]" 1
2607 1 144 SER H 1 144 SER HB3 3.810 . 3.810 3.117 2.467 3.622 . 0 0 "[ . 1 . 2]" 1
2608 1 144 SER H 1 145 THR H 4.540 . 4.540 2.853 2.687 3.067 . 0 0 "[ . 1 . 2]" 1
2609 1 144 SER H 1 145 THR MG 4.350 . 4.350 4.133 3.948 4.377 0.027 1 0 "[ . 1 . 2]" 1
2610 1 144 SER H 1 146 ALA H 5.110 . 5.110 4.241 4.065 4.529 . 0 0 "[ . 1 . 2]" 1
2611 1 145 THR H 1 145 THR HB 4.190 . 4.190 3.466 2.972 3.815 . 0 0 "[ . 1 . 2]" 1
2612 1 145 THR H 1 145 THR MG 3.500 . 3.500 2.384 2.126 2.631 . 0 0 "[ . 1 . 2]" 1
2613 1 145 THR HA 1 145 THR MG 3.280 . 3.280 2.753 2.372 3.247 . 0 0 "[ . 1 . 2]" 1
2614 1 145 THR HA 1 146 ALA H 3.500 . 3.500 3.426 3.352 3.522 0.022 5 0 "[ . 1 . 2]" 1
2615 1 146 ALA H 1 146 ALA MB 3.020 . 3.020 2.741 2.697 2.802 . 0 0 "[ . 1 . 2]" 1
2616 1 146 ALA H 1 147 LEU H 5.100 . 5.100 4.183 3.279 4.423 . 0 0 "[ . 1 . 2]" 1
2617 1 146 ALA H 1 147 LEU QD 5.440 . 5.440 4.223 3.114 4.949 . 0 0 "[ . 1 . 2]" 1
2618 1 146 ALA HA 1 147 LEU H 2.710 . 2.710 2.182 2.119 2.329 . 0 0 "[ . 1 . 2]" 1
2619 1 146 ALA HA 1 147 LEU QB 5.340 . 5.340 4.411 4.257 4.584 . 0 0 "[ . 1 . 2]" 1
2620 1 146 ALA HA 1 147 LEU QD 4.720 . 4.720 3.461 2.981 4.442 . 0 0 "[ . 1 . 2]" 1
2621 1 146 ALA MB 1 147 LEU H 3.490 . 3.490 3.022 2.474 3.668 0.178 17 0 "[ . 1 . 2]" 1
2622 1 147 LEU H 1 147 LEU QB 3.270 . 3.270 3.118 2.460 3.238 . 0 0 "[ . 1 . 2]" 1
2623 1 147 LEU H 1 147 LEU MD1 5.130 . 5.130 3.963 1.858 4.400 . 0 0 "[ . 1 . 2]" 1
2624 1 147 LEU H 1 147 LEU QD 3.780 . 3.780 2.469 1.851 3.369 . 0 0 "[ . 1 . 2]" 1
2625 1 147 LEU H 1 147 LEU MD2 5.130 . 5.130 2.759 2.139 4.198 . 0 0 "[ . 1 . 2]" 1
2626 1 147 LEU H 1 147 LEU HG 3.740 . 3.740 3.127 2.391 3.793 0.053 16 0 "[ . 1 . 2]" 1
2627 1 147 LEU HA 1 147 LEU MD1 4.380 . 4.380 3.941 3.484 4.084 . 0 0 "[ . 1 . 2]" 1
2628 1 147 LEU HA 1 147 LEU QD 3.570 . 3.570 3.434 3.137 3.479 . 0 0 "[ . 1 . 2]" 1
2629 1 147 LEU HA 1 147 LEU MD2 4.380 . 4.380 3.801 3.562 4.078 . 0 0 "[ . 1 . 2]" 1
2630 1 147 LEU HA 1 148 TYR H 2.810 . 2.810 2.362 2.274 2.535 . 0 0 "[ . 1 . 2]" 1
2631 1 147 LEU HA 1 148 TYR HB3 4.690 . 4.690 4.338 4.167 4.696 0.006 16 0 "[ . 1 . 2]" 1
2632 1 147 LEU HA 1 148 TYR QD 4.490 . 4.490 3.525 3.121 4.035 . 0 0 "[ . 1 . 2]" 1
2633 1 147 LEU HA 1 149 GLY H 5.060 . 5.060 4.019 3.757 4.370 . 0 0 "[ . 1 . 2]" 1
2634 1 147 LEU QB 1 147 LEU QD 1.560 . 1.560 1.882 1.830 1.983 0.423 16 0 "[ . 1 . 2]" 1
2635 1 147 LEU QB 1 148 TYR H 3.260 . 3.260 2.770 2.496 3.107 . 0 0 "[ . 1 . 2]" 1
2636 1 147 LEU QB 1 149 GLY H 4.610 . 4.610 3.148 2.824 3.715 . 0 0 "[ . 1 . 2]" 1
2637 1 147 LEU HB2 1 147 LEU MD1 3.520 . 3.520 2.230 2.105 3.274 . 0 0 "[ . 1 . 2]" 1
2638 1 147 LEU HB2 1 147 LEU MD2 3.520 . 3.520 2.997 2.094 3.247 . 0 0 "[ . 1 . 2]" 1
2639 1 147 LEU HB2 1 149 GLY H 5.380 . 5.380 3.255 2.852 4.575 . 0 0 "[ . 1 . 2]" 1
2640 1 147 LEU HB3 1 147 LEU MD1 3.520 . 3.520 2.654 2.307 3.179 . 0 0 "[ . 1 . 2]" 1
2641 1 147 LEU HB3 1 147 LEU MD2 3.520 . 3.520 2.288 2.082 3.132 . 0 0 "[ . 1 . 2]" 1
2642 1 147 LEU HB3 1 149 GLY H 5.380 . 5.380 4.785 3.279 5.413 0.033 15 0 "[ . 1 . 2]" 1
2643 1 147 LEU QD 1 149 GLY H 5.280 . 5.280 3.449 2.475 4.436 . 0 0 "[ . 1 . 2]" 1
2644 1 147 LEU HG 1 148 TYR H 5.060 . 5.060 4.177 3.733 5.047 . 0 0 "[ . 1 . 2]" 1
2645 1 147 LEU HG 1 149 GLY H 5.500 . 5.500 4.394 3.402 5.515 0.015 16 0 "[ . 1 . 2]" 1
2646 1 148 TYR H 1 148 TYR HB2 4.100 . 4.100 3.829 3.737 3.901 . 0 0 "[ . 1 . 2]" 1
2647 1 148 TYR H 1 148 TYR HB3 3.330 . 3.330 3.064 2.887 3.230 . 0 0 "[ . 1 . 2]" 1
2648 1 148 TYR H 1 148 TYR QD 3.650 . 3.650 2.597 2.255 2.784 . 0 0 "[ . 1 . 2]" 1
2649 1 148 TYR H 1 148 TYR QE 4.840 . 4.840 4.179 3.938 4.341 . 0 0 "[ . 1 . 2]" 1
2650 1 148 TYR H 1 149 GLY H 3.560 . 3.560 2.002 1.698 2.213 . 0 0 "[ . 1 . 2]" 1
2651 1 148 TYR H 1 150 GLU H 5.500 . 5.500 4.595 4.001 5.653 0.153 13 0 "[ . 1 . 2]" 1
2652 1 148 TYR HB3 1 148 TYR QD 2.790 . 2.790 2.461 2.404 2.516 . 0 0 "[ . 1 . 2]" 1
2653 1 148 TYR HB3 1 149 GLY H 4.610 . 4.610 4.293 3.993 4.426 . 0 0 "[ . 1 . 2]" 1
2654 1 148 TYR QD 1 149 GLY H 5.100 . 5.100 3.683 2.944 3.908 . 0 0 "[ . 1 . 2]" 1
2655 1 148 TYR QD 1 149 GLY QA 4.020 . 4.020 3.435 3.128 3.935 . 0 0 "[ . 1 . 2]" 1
2656 1 148 TYR QE 1 149 GLY H 5.500 . 5.500 4.666 3.914 4.910 . 0 0 "[ . 1 . 2]" 1
2657 1 148 TYR QE 1 149 GLY QA 5.340 . 5.340 4.093 3.649 4.891 . 0 0 "[ . 1 . 2]" 1
2658 1 150 GLU H 1 150 GLU HB2 4.030 . 4.030 2.799 2.169 3.996 . 0 0 "[ . 1 . 2]" 1
2659 1 150 GLU H 1 150 GLU QB 3.390 . 3.390 2.519 2.149 3.220 . 0 0 "[ . 1 . 2]" 1
2660 1 150 GLU H 1 150 GLU HB3 4.030 . 4.030 3.225 2.522 3.844 . 0 0 "[ . 1 . 2]" 1
2661 1 150 GLU H 1 150 GLU HG2 5.470 . 5.470 3.580 1.762 4.942 . 0 0 "[ . 1 . 2]" 1
2662 1 150 GLU H 1 150 GLU QG 4.670 . 4.670 3.117 1.748 4.275 . 0 0 "[ . 1 . 2]" 1
2663 1 150 GLU H 1 150 GLU HG3 5.470 . 5.470 3.828 2.487 4.800 . 0 0 "[ . 1 . 2]" 1
2664 1 151 SER HA 1 153 LEU H 4.850 . 4.850 3.890 3.032 4.767 . 0 0 "[ . 1 . 2]" 1
2665 1 151 SER QB 1 153 LEU H 4.550 . 4.550 3.223 2.044 4.687 0.137 1 0 "[ . 1 . 2]" 1
2666 1 152 ASP H 1 153 LEU H 5.100 . 5.100 2.533 2.006 3.074 . 0 0 "[ . 1 . 2]" 1
2667 1 152 ASP QB 1 153 LEU H 4.230 . 4.230 3.503 2.605 4.015 . 0 0 "[ . 1 . 2]" 1
2668 1 152 ASP HB2 1 153 LEU H 4.870 . 4.870 3.975 2.771 4.568 . 0 0 "[ . 1 . 2]" 1
2669 1 152 ASP HB3 1 153 LEU H 4.870 . 4.870 4.069 2.652 4.529 . 0 0 "[ . 1 . 2]" 1
2670 1 153 LEU H 1 153 LEU HB2 3.680 . 3.680 2.880 2.437 3.698 0.018 15 0 "[ . 1 . 2]" 1
2671 1 153 LEU H 1 153 LEU QB 3.110 . 3.110 2.493 2.217 3.036 . 0 0 "[ . 1 . 2]" 1
2672 1 153 LEU H 1 153 LEU HB3 3.680 . 3.680 2.890 2.371 3.698 0.018 9 0 "[ . 1 . 2]" 1
2673 1 153 LEU H 1 153 LEU MD1 5.500 . 5.500 4.153 1.968 4.627 . 0 0 "[ . 1 . 2]" 1
2674 1 153 LEU H 1 153 LEU QD 4.820 . 4.820 3.690 1.846 4.057 . 0 0 "[ . 1 . 2]" 1
2675 1 153 LEU H 1 153 LEU MD2 5.500 . 5.500 4.145 2.234 4.717 . 0 0 "[ . 1 . 2]" 1
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