NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
400056 |
1uit   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1uit
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 1820
_Distance_constraint_stats_list.Viol_count 2181
_Distance_constraint_stats_list.Viol_total 3335.390
_Distance_constraint_stats_list.Viol_max 0.967
_Distance_constraint_stats_list.Viol_rms 0.0358
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0046
_Distance_constraint_stats_list.Viol_average_violations_only 0.0765
_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 9 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 ARG 2.688 0.472 18 0 "[ . 1 . 2]"
1 11 ARG 0.474 0.146 18 0 "[ . 1 . 2]"
1 12 LYS 0.726 0.117 1 0 "[ . 1 . 2]"
1 13 ASP 1.321 0.382 15 0 "[ . 1 . 2]"
1 14 ARG 3.029 0.420 2 0 "[ . 1 . 2]"
1 15 PRO 2.825 0.420 2 0 "[ . 1 . 2]"
1 16 TYR 0.930 0.107 18 0 "[ . 1 . 2]"
1 17 VAL 1.843 0.535 13 1 "[ . 1 + . 2]"
1 18 GLU 2.008 0.535 13 1 "[ . 1 + . 2]"
1 19 GLU 5.110 0.646 17 2 "[ . 1 . + -]"
1 20 PRO 8.895 0.646 17 3 "[ . 1 . + -*]"
1 21 ARG 10.303 0.875 4 6 "[- +.* 1* * . * 2]"
1 22 HIS 10.702 0.875 4 6 "[- +.* 1* * . * 2]"
1 23 VAL 1.763 0.296 1 0 "[ . 1 . 2]"
1 24 LYS 5.306 0.554 13 2 "[ . - 1 + . 2]"
1 25 VAL 8.030 0.195 6 0 "[ . 1 . 2]"
1 26 GLN 8.513 0.967 19 3 "[ . 1 -. +*]"
1 27 LYS 16.460 0.967 19 11 "[* - . * *1****. * +*]"
1 28 GLY 5.959 0.814 14 7 "[* - . *1** +. * 2]"
1 29 SER 0.859 0.200 3 0 "[ . 1 . 2]"
1 30 GLU 1.284 0.200 3 0 "[ . 1 . 2]"
1 31 PRO 0.692 0.127 20 0 "[ . 1 . 2]"
1 32 LEU 3.577 0.839 13 2 "[ . - 1 + . 2]"
1 33 GLY 4.130 0.476 14 0 "[ . 1 . 2]"
1 34 ILE 1.578 0.264 9 0 "[ . 1 . 2]"
1 35 SER 5.481 0.833 9 1 "[ . +1 . 2]"
1 36 ILE 2.648 0.410 9 0 "[ . 1 . 2]"
1 37 VAL 3.340 0.438 9 0 "[ . 1 . 2]"
1 38 SER 3.229 0.233 18 0 "[ . 1 . 2]"
1 39 GLY 2.549 0.233 18 0 "[ . 1 . 2]"
1 40 GLU 0.034 0.032 2 0 "[ . 1 . 2]"
1 41 LYS 3.468 0.575 16 3 "[ . 1 *+ -2]"
1 42 GLY 1.395 0.557 15 2 "[ . 1 + -2]"
1 43 GLY 3.286 0.775 20 3 "[- * 1 . +]"
1 44 ILE 2.154 0.420 16 0 "[ . 1 . 2]"
1 45 TYR 1.781 0.062 13 0 "[ . 1 . 2]"
1 46 VAL 1.823 0.131 5 0 "[ . 1 . 2]"
1 47 SER 4.829 0.325 11 0 "[ . 1 . 2]"
1 48 LYS 7.639 0.833 9 2 "[ -. +1 . 2]"
1 49 VAL 0.283 0.166 14 0 "[ . 1 . 2]"
1 50 THR 1.548 0.246 14 0 "[ . 1 . 2]"
1 51 VAL 2.861 0.246 14 0 "[ . 1 . 2]"
1 52 GLY 1.820 0.222 19 0 "[ . 1 . 2]"
1 53 SER 7.734 0.476 14 0 "[ . 1 . 2]"
1 54 ILE 9.096 0.455 19 0 "[ . 1 . 2]"
1 55 ALA 6.986 0.472 16 0 "[ . 1 . 2]"
1 56 HIS 2.659 0.383 5 0 "[ . 1 . 2]"
1 57 GLN 3.416 0.383 5 0 "[ . 1 . 2]"
1 58 ALA 0.177 0.021 18 0 "[ . 1 . 2]"
1 59 GLY 0.215 0.028 14 0 "[ . 1 . 2]"
1 60 LEU 0.262 0.253 19 0 "[ . 1 . 2]"
1 61 GLU 2.041 0.365 19 0 "[ . 1 . 2]"
1 62 TYR 1.560 0.142 6 0 "[ . 1 . 2]"
1 63 GLY 0.019 0.012 12 0 "[ . 1 . 2]"
1 64 ASP 0.225 0.047 17 0 "[ . 1 . 2]"
1 65 GLN 4.091 0.775 20 3 "[- * 1 . +]"
1 66 LEU 0.241 0.060 18 0 "[ . 1 . 2]"
1 67 LEU 11.677 0.684 7 5 "[ . + *1 . **-2]"
1 68 GLU 1.773 0.264 1 0 "[ . 1 . 2]"
1 69 PHE 3.733 0.559 12 2 "[ . 1 + . -]"
1 70 ASN 4.993 0.704 12 2 "[ . 1 + . -]"
1 71 GLY 0.035 0.014 16 0 "[ . 1 . 2]"
1 72 ILE 4.067 0.211 18 0 "[ . 1 . 2]"
1 73 ASN 5.561 0.804 18 1 "[ . 1 . + 2]"
1 74 LEU 0.410 0.125 4 0 "[ . 1 . 2]"
1 75 ARG 4.580 0.684 7 4 "[ . + *1 - * 2]"
1 76 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 77 ALA 0.327 0.024 4 0 "[ . 1 . 2]"
1 78 THR 0.488 0.044 6 0 "[ . 1 . 2]"
1 79 GLU 2.058 0.208 18 0 "[ . 1 . 2]"
1 80 GLN 3.740 0.429 4 0 "[ . 1 . 2]"
1 81 GLN 1.047 0.154 10 0 "[ . 1 . 2]"
1 82 ALA 0.362 0.046 12 0 "[ . 1 . 2]"
1 83 ARG 0.903 0.429 4 0 "[ . 1 . 2]"
1 84 LEU 1.184 0.097 1 0 "[ . 1 . 2]"
1 85 ILE 3.708 0.210 20 0 "[ . 1 . 2]"
1 86 ILE 2.338 0.097 20 0 "[ . 1 . 2]"
1 87 GLY 0.184 0.049 19 0 "[ . 1 . 2]"
1 88 GLN 7.592 0.286 16 0 "[ . 1 . 2]"
1 89 GLN 3.495 0.301 16 0 "[ . 1 . 2]"
1 90 CYS 1.949 0.704 12 2 "[ . 1 + . -]"
1 91 ASP 0.379 0.060 19 0 "[ . 1 . 2]"
1 92 THR 2.436 0.732 20 3 "[ . 1 -. *+]"
1 93 ILE 4.314 0.389 20 0 "[ . 1 . 2]"
1 94 THR 3.555 0.554 13 2 "[ . - 1 + . 2]"
1 95 ILE 0.814 0.054 17 0 "[ . 1 . 2]"
1 96 LEU 1.440 0.286 10 0 "[ . 1 . 2]"
1 97 ALA 0.412 0.048 7 0 "[ . 1 . 2]"
1 98 GLN 0.501 0.123 18 0 "[ . 1 . 2]"
1 99 TYR 0.246 0.146 18 0 "[ . 1 . 2]"
1 100 ASN 0.050 0.042 17 0 "[ . 1 . 2]"
1 101 PRO 0.870 0.054 5 0 "[ . 1 . 2]"
1 102 HIS 0.852 0.054 5 0 "[ . 1 . 2]"
1 103 VAL 0.069 0.052 5 0 "[ . 1 . 2]"
1 104 HIS 0.012 0.009 19 0 "[ . 1 . 2]"
1 105 GLN 2.820 0.426 15 0 "[ . 1 . 2]"
1 106 LEU 0.000 0.000 16 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 9 GLU H 1 9 GLU HG3 . . 5.500 4.156 2.121 5.081 . 0 0 "[ . 1 . 2]" 1
2 1 9 GLU HA 1 9 GLU HG3 . . 4.210 2.842 2.019 4.177 . 0 0 "[ . 1 . 2]" 1
3 1 9 GLU HA 1 10 ARG H . . 3.240 2.326 2.205 2.594 . 0 0 "[ . 1 . 2]" 1
4 1 10 ARG H 1 10 ARG HG2 . . 4.580 4.287 2.758 5.052 0.472 18 0 "[ . 1 . 2]" 1
5 1 10 ARG HA 1 10 ARG HG2 . . 3.340 2.801 2.000 3.595 0.255 20 0 "[ . 1 . 2]" 1
6 1 10 ARG HA 1 11 ARG H . . 3.430 2.353 2.227 2.610 . 0 0 "[ . 1 . 2]" 1
7 1 11 ARG HB3 1 11 ARG HD3 . . 4.210 2.852 2.238 3.677 . 0 0 "[ . 1 . 2]" 1
8 1 11 ARG HD3 1 11 ARG HG2 . . 2.890 2.682 2.270 3.036 0.146 18 0 "[ . 1 . 2]" 1
9 1 12 LYS HA 1 12 LYS HG2 . . 3.720 3.092 2.054 3.601 . 0 0 "[ . 1 . 2]" 1
10 1 12 LYS HB2 1 13 ASP H . . 5.170 4.011 2.704 4.726 . 0 0 "[ . 1 . 2]" 1
11 1 12 LYS HB3 1 13 ASP H . . 4.850 3.365 2.147 4.710 . 0 0 "[ . 1 . 2]" 1
12 1 12 LYS HD3 1 12 LYS HG3 . . 2.940 2.941 2.786 3.057 0.117 1 0 "[ . 1 . 2]" 1
13 1 13 ASP H 1 13 ASP HB2 . . 3.780 3.047 2.105 4.055 0.275 2 0 "[ . 1 . 2]" 1
14 1 13 ASP H 1 14 ARG H . . 4.460 4.107 2.833 4.457 . 0 0 "[ . 1 . 2]" 1
15 1 13 ASP HA 1 13 ASP HB2 . . 2.940 2.753 2.417 3.037 0.097 15 0 "[ . 1 . 2]" 1
16 1 13 ASP HA 1 14 ARG H . . 3.170 2.393 2.252 2.877 . 0 0 "[ . 1 . 2]" 1
17 1 13 ASP HB3 1 14 ARG H . . 4.210 3.789 2.767 4.592 0.382 15 0 "[ . 1 . 2]" 1
18 1 14 ARG H 1 14 ARG HB2 . . 3.910 2.585 2.059 3.458 . 0 0 "[ . 1 . 2]" 1
19 1 14 ARG H 1 14 ARG HG3 . . 4.140 3.399 2.751 4.139 . 0 0 "[ . 1 . 2]" 1
20 1 14 ARG H 1 15 PRO HD2 . . 5.060 4.681 3.668 5.041 . 0 0 "[ . 1 . 2]" 1
21 1 14 ARG H 1 15 PRO HD3 . . 4.850 3.974 2.455 4.738 . 0 0 "[ . 1 . 2]" 1
22 1 14 ARG HA 1 14 ARG HG3 . . 3.490 2.572 2.005 3.260 . 0 0 "[ . 1 . 2]" 1
23 1 14 ARG HA 1 15 PRO HD2 . . 3.140 2.422 2.219 2.747 . 0 0 "[ . 1 . 2]" 1
24 1 14 ARG HA 1 15 PRO HD3 . . 3.040 2.094 1.951 2.448 . 0 0 "[ . 1 . 2]" 1
25 1 14 ARG HB2 1 14 ARG HD2 . . 3.780 2.781 2.045 3.599 . 0 0 "[ . 1 . 2]" 1
26 1 14 ARG HB2 1 14 ARG HD3 . . 3.890 3.087 2.133 4.001 0.111 13 0 "[ . 1 . 2]" 1
27 1 14 ARG HB2 1 15 PRO HD2 . . 4.730 4.538 3.975 5.082 0.352 20 0 "[ . 1 . 2]" 1
28 1 14 ARG HB3 1 14 ARG HD2 . . 4.140 3.115 2.016 4.142 0.002 2 0 "[ . 1 . 2]" 1
29 1 14 ARG HB3 1 14 ARG HD3 . . 4.080 3.083 2.254 3.809 . 0 0 "[ . 1 . 2]" 1
30 1 14 ARG HG2 1 15 PRO HD2 . . 4.470 3.390 2.258 4.594 0.124 2 0 "[ . 1 . 2]" 1
31 1 14 ARG HG2 1 15 PRO HD3 . . 4.730 4.046 2.964 5.150 0.420 2 0 "[ . 1 . 2]" 1
32 1 15 PRO HA 1 16 TYR H . . 3.400 3.414 3.251 3.507 0.107 18 0 "[ . 1 . 2]" 1
33 1 15 PRO HB2 1 16 TYR H . . 4.580 3.551 2.134 4.016 . 0 0 "[ . 1 . 2]" 1
34 1 15 PRO HB3 1 16 TYR H . . 4.520 4.358 3.558 4.605 0.085 11 0 "[ . 1 . 2]" 1
35 1 15 PRO HD2 1 16 TYR H . . 4.470 2.386 2.255 3.031 . 0 0 "[ . 1 . 2]" 1
36 1 15 PRO HD3 1 16 TYR H . . 4.900 3.706 3.655 4.177 . 0 0 "[ . 1 . 2]" 1
37 1 15 PRO HG2 1 16 TYR H . . 4.190 3.196 2.193 3.841 . 0 0 "[ . 1 . 2]" 1
38 1 15 PRO HG3 1 16 TYR H . . 4.910 4.312 3.650 4.744 . 0 0 "[ . 1 . 2]" 1
39 1 16 TYR H 1 16 TYR HB2 . . 3.870 2.963 1.921 3.848 . 0 0 "[ . 1 . 2]" 1
40 1 16 TYR H 1 16 TYR HB3 . . 4.070 3.438 2.662 4.029 . 0 0 "[ . 1 . 2]" 1
41 1 16 TYR H 1 16 TYR QD . . 4.210 3.559 2.089 4.274 0.064 4 0 "[ . 1 . 2]" 1
42 1 16 TYR H 1 17 VAL H . . 4.280 2.883 1.889 4.330 0.050 3 0 "[ . 1 . 2]" 1
43 1 16 TYR HA 1 16 TYR QD . . 3.690 2.774 2.125 3.765 0.075 2 0 "[ . 1 . 2]" 1
44 1 16 TYR HB2 1 17 VAL H . . 4.140 2.981 1.957 4.072 . 0 0 "[ . 1 . 2]" 1
45 1 16 TYR HB3 1 17 VAL H . . 4.030 2.729 1.993 3.910 . 0 0 "[ . 1 . 2]" 1
46 1 16 TYR QD 1 17 VAL H . . 4.370 3.748 2.480 4.375 0.005 20 0 "[ . 1 . 2]" 1
47 1 17 VAL H 1 17 VAL HB . . 3.470 3.344 2.996 3.619 0.149 17 0 "[ . 1 . 2]" 1
48 1 17 VAL H 1 17 VAL QG . . 3.120 2.299 1.850 2.841 . 0 0 "[ . 1 . 2]" 1
49 1 17 VAL H 1 18 GLU H . . 4.600 4.351 3.970 4.477 . 0 0 "[ . 1 . 2]" 1
50 1 17 VAL H 1 19 GLU H . . 5.090 4.998 4.810 5.155 0.065 17 0 "[ . 1 . 2]" 1
51 1 17 VAL HA 1 17 VAL QG . . 3.020 2.129 1.997 2.289 . 0 0 "[ . 1 . 2]" 1
52 1 17 VAL HA 1 18 GLU H . . 3.030 2.451 2.185 2.710 . 0 0 "[ . 1 . 2]" 1
53 1 17 VAL HA 1 18 GLU HG2 . . 5.150 3.825 3.456 5.685 0.535 13 1 "[ . 1 + . 2]" 1
54 1 17 VAL HA 1 19 GLU H . . 5.500 5.517 5.458 5.570 0.070 17 0 "[ . 1 . 2]" 1
55 1 17 VAL HA 1 101 PRO QD . . 4.140 3.666 3.577 3.755 . 0 0 "[ . 1 . 2]" 1
56 1 17 VAL HB 1 18 GLU H . . 4.470 3.433 2.024 4.477 0.007 10 0 "[ . 1 . 2]" 1
57 1 17 VAL QG 1 18 GLU H . . 3.470 2.529 1.962 3.134 . 0 0 "[ . 1 . 2]" 1
58 1 17 VAL QG 1 18 GLU HA . . 4.730 4.069 3.706 4.429 . 0 0 "[ . 1 . 2]" 1
59 1 17 VAL QG 1 19 GLU H . . 4.480 4.253 4.025 4.465 . 0 0 "[ . 1 . 2]" 1
60 1 17 VAL QG 1 98 GLN HE21 . . 3.720 2.846 2.200 3.500 . 0 0 "[ . 1 . 2]" 1
61 1 17 VAL QG 1 98 GLN HE22 . . 3.690 2.997 2.024 3.615 . 0 0 "[ . 1 . 2]" 1
62 1 17 VAL QG 1 98 GLN HG2 . . 4.140 3.125 2.524 4.013 . 0 0 "[ . 1 . 2]" 1
63 1 17 VAL QG 1 100 ASN HA . . 3.820 2.569 2.048 3.296 . 0 0 "[ . 1 . 2]" 1
64 1 17 VAL QG 1 100 ASN QB . . 4.470 3.632 3.093 4.112 . 0 0 "[ . 1 . 2]" 1
65 1 17 VAL QG 1 101 PRO QD . . 3.980 1.998 1.709 2.793 . 0 0 "[ . 1 . 2]" 1
66 1 18 GLU H 1 18 GLU HB2 . . 3.950 2.676 2.434 2.815 . 0 0 "[ . 1 . 2]" 1
67 1 18 GLU H 1 18 GLU HG2 . . 4.280 2.167 1.936 3.873 . 0 0 "[ . 1 . 2]" 1
68 1 18 GLU H 1 18 GLU HG3 . . 4.370 2.612 2.037 3.360 . 0 0 "[ . 1 . 2]" 1
69 1 18 GLU H 1 99 TYR HB3 . . 5.500 4.245 2.694 4.707 . 0 0 "[ . 1 . 2]" 1
70 1 18 GLU H 1 99 TYR QD . . 5.500 3.769 3.272 4.103 . 0 0 "[ . 1 . 2]" 1
71 1 18 GLU HA 1 18 GLU HG2 . . 3.780 2.644 2.490 3.499 . 0 0 "[ . 1 . 2]" 1
72 1 18 GLU HA 1 18 GLU HG3 . . 3.820 3.647 2.321 3.842 0.022 6 0 "[ . 1 . 2]" 1
73 1 18 GLU HA 1 19 GLU H . . 3.090 2.218 2.208 2.234 . 0 0 "[ . 1 . 2]" 1
74 1 18 GLU HA 1 19 GLU QB . . 4.580 4.248 4.022 4.409 . 0 0 "[ . 1 . 2]" 1
75 1 18 GLU HB2 1 19 GLU H . . 4.370 4.407 4.342 4.512 0.142 13 0 "[ . 1 . 2]" 1
76 1 18 GLU HB2 1 99 TYR H . . 5.150 3.611 3.326 3.865 . 0 0 "[ . 1 . 2]" 1
77 1 18 GLU HB2 1 99 TYR HB2 . . 4.900 3.715 1.976 4.409 . 0 0 "[ . 1 . 2]" 1
78 1 18 GLU HB2 1 99 TYR HB3 . . 4.470 2.231 1.995 2.816 . 0 0 "[ . 1 . 2]" 1
79 1 18 GLU HB3 1 19 GLU H . . 3.860 3.818 3.738 3.904 0.044 9 0 "[ . 1 . 2]" 1
80 1 18 GLU HB3 1 99 TYR HB3 . . 4.730 3.285 2.689 4.335 . 0 0 "[ . 1 . 2]" 1
81 1 18 GLU HG2 1 19 GLU H . . 5.090 4.827 4.696 5.530 0.440 13 0 "[ . 1 . 2]" 1
82 1 18 GLU HG2 1 99 TYR QD . . 4.280 3.615 2.861 4.261 . 0 0 "[ . 1 . 2]" 1
83 1 18 GLU HG3 1 99 TYR QD . . 4.370 2.283 1.991 4.303 . 0 0 "[ . 1 . 2]" 1
84 1 19 GLU H 1 19 GLU QB . . 3.510 2.312 2.065 2.578 . 0 0 "[ . 1 . 2]" 1
85 1 19 GLU H 1 19 GLU HG2 . . 3.780 3.314 2.299 3.911 0.131 9 0 "[ . 1 . 2]" 1
86 1 19 GLU H 1 20 PRO HD3 . . 5.210 4.644 4.598 4.692 . 0 0 "[ . 1 . 2]" 1
87 1 19 GLU HA 1 19 GLU HG2 . . 3.720 2.758 2.014 4.019 0.299 20 0 "[ . 1 . 2]" 1
88 1 19 GLU HA 1 20 PRO HD2 . . 3.250 2.765 2.701 2.834 . 0 0 "[ . 1 . 2]" 1
89 1 19 GLU HA 1 20 PRO HD3 . . 3.020 2.033 1.999 2.075 . 0 0 "[ . 1 . 2]" 1
90 1 19 GLU HA 1 20 PRO HG2 . . 4.730 4.685 4.636 4.739 0.009 8 0 "[ . 1 . 2]" 1
91 1 19 GLU HA 1 20 PRO HG3 . . 4.580 4.296 4.267 4.331 . 0 0 "[ . 1 . 2]" 1
92 1 19 GLU HA 1 98 GLN HE21 . . 4.730 2.369 2.068 2.816 . 0 0 "[ . 1 . 2]" 1
93 1 19 GLU HA 1 98 GLN HE22 . . 4.210 3.737 3.133 4.263 0.053 18 0 "[ . 1 . 2]" 1
94 1 19 GLU QB 1 20 PRO HD2 . . 3.610 2.206 1.991 2.760 . 0 0 "[ . 1 . 2]" 1
95 1 19 GLU QB 1 20 PRO HD3 . . 3.850 3.158 2.902 3.576 . 0 0 "[ . 1 . 2]" 1
96 1 19 GLU HG2 1 20 PRO HD2 . . 4.470 3.427 2.116 4.935 0.465 17 0 "[ . 1 . 2]" 1
97 1 19 GLU HG2 1 20 PRO HD3 . . 4.900 3.726 2.373 5.546 0.646 17 2 "[ . 1 . + -]" 1
98 1 20 PRO HA 1 21 ARG H . . 3.280 2.202 2.150 2.317 . 0 0 "[ . 1 . 2]" 1
99 1 20 PRO HA 1 67 LEU MD1 . . 4.210 3.571 2.819 3.937 . 0 0 "[ . 1 . 2]" 1
100 1 20 PRO HA 1 96 LEU QD . . 4.370 3.365 2.818 3.758 . 0 0 "[ . 1 . 2]" 1
101 1 20 PRO HA 1 98 GLN HB2 . . 4.030 2.541 2.313 3.019 . 0 0 "[ . 1 . 2]" 1
102 1 20 PRO HA 1 98 GLN HB3 . . 4.280 4.065 3.897 4.298 0.018 10 0 "[ . 1 . 2]" 1
103 1 20 PRO HA 1 98 GLN HG3 . . 4.580 2.344 2.001 3.010 . 0 0 "[ . 1 . 2]" 1
104 1 20 PRO HB2 1 21 ARG H . . 4.730 3.538 3.025 4.194 . 0 0 "[ . 1 . 2]" 1
105 1 20 PRO HB2 1 67 LEU HB2 . . 4.470 4.784 4.512 4.999 0.529 17 2 "[ . 1 . + -2]" 1
106 1 20 PRO HB2 1 67 LEU MD1 . . 3.250 2.953 1.831 3.343 0.093 4 0 "[ . 1 . 2]" 1
107 1 20 PRO HB2 1 96 LEU QD . . 3.140 1.860 1.710 1.939 . 0 0 "[ . 1 . 2]" 1
108 1 20 PRO HB3 1 21 ARG H . . 4.370 3.901 3.565 4.405 0.035 9 0 "[ . 1 . 2]" 1
109 1 20 PRO HB3 1 67 LEU MD1 . . 3.390 2.009 1.768 2.248 . 0 0 "[ . 1 . 2]" 1
110 1 20 PRO HB3 1 96 LEU QD . . 3.490 2.758 2.101 3.118 . 0 0 "[ . 1 . 2]" 1
111 1 20 PRO HD2 1 98 GLN HE21 . . 4.900 3.823 3.570 4.298 . 0 0 "[ . 1 . 2]" 1
112 1 20 PRO HD2 1 98 GLN HE22 . . 4.730 4.578 4.199 4.853 0.123 18 0 "[ . 1 . 2]" 1
113 1 20 PRO HD3 1 98 GLN HE21 . . 4.470 2.170 1.948 2.814 . 0 0 "[ . 1 . 2]" 1
114 1 20 PRO HD3 1 98 GLN HE22 . . 4.470 2.868 2.499 3.186 . 0 0 "[ . 1 . 2]" 1
115 1 20 PRO HG2 1 67 LEU MD1 . . 4.210 3.979 3.323 4.219 0.009 6 0 "[ . 1 . 2]" 1
116 1 20 PRO HG2 1 96 LEU QD . . 4.730 3.214 2.817 3.386 . 0 0 "[ . 1 . 2]" 1
117 1 20 PRO HG3 1 67 LEU MD1 . . 4.280 3.124 2.860 3.299 . 0 0 "[ . 1 . 2]" 1
118 1 20 PRO HG3 1 96 LEU QD . . 4.210 3.654 2.990 3.958 . 0 0 "[ . 1 . 2]" 1
119 1 21 ARG H 1 21 ARG HD2 . . 4.730 3.723 2.120 4.307 . 0 0 "[ . 1 . 2]" 1
120 1 21 ARG H 1 21 ARG HD3 . . 4.280 4.218 3.278 4.745 0.465 18 0 "[ . 1 . 2]" 1
121 1 21 ARG H 1 21 ARG HG2 . . 4.730 2.237 2.126 2.363 . 0 0 "[ . 1 . 2]" 1
122 1 21 ARG H 1 21 ARG HG3 . . 3.890 3.582 3.184 3.907 0.017 8 0 "[ . 1 . 2]" 1
123 1 21 ARG H 1 22 HIS H . . 5.500 4.513 4.456 4.633 . 0 0 "[ . 1 . 2]" 1
124 1 21 ARG H 1 67 LEU MD1 . . 5.150 4.641 3.999 5.064 . 0 0 "[ . 1 . 2]" 1
125 1 21 ARG H 1 96 LEU HA . . 5.500 4.481 4.093 5.394 . 0 0 "[ . 1 . 2]" 1
126 1 21 ARG H 1 96 LEU QD . . 4.080 2.995 2.650 3.519 . 0 0 "[ . 1 . 2]" 1
127 1 21 ARG H 1 97 ALA H . . 4.060 3.475 2.838 4.053 . 0 0 "[ . 1 . 2]" 1
128 1 21 ARG H 1 97 ALA MB . . 4.580 3.919 3.493 4.213 . 0 0 "[ . 1 . 2]" 1
129 1 21 ARG H 1 98 GLN HA . . 4.900 3.387 3.035 3.695 . 0 0 "[ . 1 . 2]" 1
130 1 21 ARG HA 1 22 HIS H . . 3.260 2.555 2.402 2.690 . 0 0 "[ . 1 . 2]" 1
131 1 21 ARG HA 1 96 LEU QD . . 4.280 3.556 3.270 3.906 . 0 0 "[ . 1 . 2]" 1
132 1 21 ARG HB2 1 21 ARG HD2 . . 3.940 3.423 2.767 4.098 0.158 5 0 "[ . 1 . 2]" 1
133 1 21 ARG HB2 1 21 ARG HD3 . . 4.280 3.712 2.848 4.200 . 0 0 "[ . 1 . 2]" 1
134 1 21 ARG HB2 1 22 HIS H . . 3.960 2.468 2.132 2.760 . 0 0 "[ . 1 . 2]" 1
135 1 21 ARG HB2 1 23 VAL MG2 . . 3.940 3.716 3.245 3.970 0.030 7 0 "[ . 1 . 2]" 1
136 1 21 ARG HB3 1 21 ARG HD2 . . 3.980 2.695 2.167 3.600 . 0 0 "[ . 1 . 2]" 1
137 1 21 ARG HB3 1 21 ARG HD3 . . 4.280 3.372 2.564 3.847 . 0 0 "[ . 1 . 2]" 1
138 1 21 ARG HB3 1 22 HIS H . . 4.280 3.879 3.635 4.036 . 0 0 "[ . 1 . 2]" 1
139 1 21 ARG HD2 1 23 VAL MG2 . . 4.470 3.675 2.694 4.414 . 0 0 "[ . 1 . 2]" 1
140 1 21 ARG HD3 1 23 VAL MG2 . . 3.390 2.950 1.897 3.686 0.296 1 0 "[ . 1 . 2]" 1
141 1 21 ARG HD3 1 97 ALA MB . . 4.730 3.494 2.310 4.685 . 0 0 "[ . 1 . 2]" 1
142 1 21 ARG HG2 1 22 HIS H . . 5.150 4.077 3.613 4.742 . 0 0 "[ . 1 . 2]" 1
143 1 21 ARG HG2 1 23 VAL MG2 . . 3.190 3.068 2.846 3.313 0.123 3 0 "[ . 1 . 2]" 1
144 1 21 ARG HG2 1 97 ALA MB . . 3.530 2.900 2.574 3.402 . 0 0 "[ . 1 . 2]" 1
145 1 21 ARG HG3 1 22 HIS H . . 4.960 3.385 2.914 4.112 . 0 0 "[ . 1 . 2]" 1
146 1 21 ARG HG3 1 22 HIS HD1 . . 4.730 5.018 4.721 5.605 0.875 4 6 "[- +.* 1* * . * 2]" 1
147 1 21 ARG HG3 1 23 VAL MG2 . . 4.080 2.073 1.940 2.186 . 0 0 "[ . 1 . 2]" 1
148 1 21 ARG HG3 1 97 ALA H . . 4.600 3.787 3.205 4.243 . 0 0 "[ . 1 . 2]" 1
149 1 21 ARG HG3 1 97 ALA MB . . 4.210 3.597 3.058 4.036 . 0 0 "[ . 1 . 2]" 1
150 1 22 HIS H 1 22 HIS HB2 . . 3.900 2.637 2.552 2.772 . 0 0 "[ . 1 . 2]" 1
151 1 22 HIS H 1 22 HIS HB3 . . 3.550 3.738 3.680 3.783 0.233 17 0 "[ . 1 . 2]" 1
152 1 22 HIS H 1 23 VAL H . . 5.060 4.000 3.598 4.276 . 0 0 "[ . 1 . 2]" 1
153 1 22 HIS H 1 23 VAL MG2 . . 5.500 4.097 3.815 4.331 . 0 0 "[ . 1 . 2]" 1
154 1 22 HIS H 1 96 LEU QD . . 4.580 4.029 3.258 4.476 . 0 0 "[ . 1 . 2]" 1
155 1 22 HIS H 1 97 ALA H . . 5.350 5.252 4.908 5.368 0.018 20 0 "[ . 1 . 2]" 1
156 1 22 HIS HA 1 22 HIS HD2 . . 4.580 4.159 3.984 4.407 . 0 0 "[ . 1 . 2]" 1
157 1 22 HIS HA 1 23 VAL H . . 3.030 2.248 2.186 2.354 . 0 0 "[ . 1 . 2]" 1
158 1 22 HIS HA 1 23 VAL HB . . 4.730 4.503 4.385 4.639 . 0 0 "[ . 1 . 2]" 1
159 1 22 HIS HA 1 23 VAL MG2 . . 4.470 4.042 3.814 4.242 . 0 0 "[ . 1 . 2]" 1
160 1 22 HIS HA 1 94 THR MG . . 4.900 3.431 3.050 3.767 . 0 0 "[ . 1 . 2]" 1
161 1 22 HIS HA 1 96 LEU HA . . 3.570 2.530 2.020 2.812 . 0 0 "[ . 1 . 2]" 1
162 1 22 HIS HA 1 96 LEU QD . . 3.720 2.947 2.218 3.417 . 0 0 "[ . 1 . 2]" 1
163 1 22 HIS HA 1 97 ALA H . . 4.370 3.694 3.109 3.955 . 0 0 "[ . 1 . 2]" 1
164 1 22 HIS HB2 1 23 VAL H . . 4.500 4.496 4.333 4.614 0.114 20 0 "[ . 1 . 2]" 1
165 1 22 HIS HB2 1 94 THR MG . . 3.720 3.539 3.250 3.920 0.200 20 0 "[ . 1 . 2]" 1
166 1 22 HIS HB2 1 96 LEU QD . . 4.900 4.388 3.911 4.660 . 0 0 "[ . 1 . 2]" 1
167 1 22 HIS HB3 1 23 VAL H . . 4.800 3.946 3.588 4.208 . 0 0 "[ . 1 . 2]" 1
168 1 22 HIS HB3 1 94 THR MG . . 4.470 2.299 1.967 2.554 . 0 0 "[ . 1 . 2]" 1
169 1 22 HIS HB3 1 96 LEU QD . . 4.730 4.032 3.513 4.417 . 0 0 "[ . 1 . 2]" 1
170 1 22 HIS HD2 1 94 THR MG . . 3.570 3.550 3.331 3.599 0.029 13 0 "[ . 1 . 2]" 1
171 1 22 HIS HD2 1 96 LEU HA . . 5.150 5.100 4.881 5.182 0.032 17 0 "[ . 1 . 2]" 1
172 1 22 HIS HD2 1 96 LEU HB2 . . 5.500 4.120 3.736 4.526 . 0 0 "[ . 1 . 2]" 1
173 1 22 HIS HD2 1 96 LEU QD . . 4.370 3.524 3.272 3.753 . 0 0 "[ . 1 . 2]" 1
174 1 23 VAL H 1 23 VAL HB . . 3.780 2.299 2.206 2.406 . 0 0 "[ . 1 . 2]" 1
175 1 23 VAL H 1 23 VAL MG1 . . 4.210 3.682 3.632 3.732 . 0 0 "[ . 1 . 2]" 1
176 1 23 VAL H 1 23 VAL MG2 . . 3.610 2.588 2.271 2.840 . 0 0 "[ . 1 . 2]" 1
177 1 23 VAL H 1 24 LYS H . . 4.960 4.460 4.191 4.573 . 0 0 "[ . 1 . 2]" 1
178 1 23 VAL H 1 94 THR MG . . 4.960 3.589 3.313 4.160 . 0 0 "[ . 1 . 2]" 1
179 1 23 VAL H 1 95 ILE HB . . 4.720 3.732 3.403 4.005 . 0 0 "[ . 1 . 2]" 1
180 1 23 VAL H 1 95 ILE MG . . 5.300 3.706 3.195 4.364 . 0 0 "[ . 1 . 2]" 1
181 1 23 VAL H 1 96 LEU HA . . 4.580 3.482 3.146 3.702 . 0 0 "[ . 1 . 2]" 1
182 1 23 VAL H 1 96 LEU QD . . 5.160 4.472 3.841 4.880 . 0 0 "[ . 1 . 2]" 1
183 1 23 VAL H 1 97 ALA H . . 5.110 3.612 2.988 4.180 . 0 0 "[ . 1 . 2]" 1
184 1 23 VAL HA 1 23 VAL MG1 . . 3.230 2.447 2.360 2.565 . 0 0 "[ . 1 . 2]" 1
185 1 23 VAL HA 1 23 VAL MG2 . . 3.000 2.253 2.148 2.378 . 0 0 "[ . 1 . 2]" 1
186 1 23 VAL HA 1 24 LYS H . . 2.860 2.189 2.182 2.227 . 0 0 "[ . 1 . 2]" 1
187 1 23 VAL HA 1 24 LYS HA . . 4.580 4.364 4.350 4.432 . 0 0 "[ . 1 . 2]" 1
188 1 23 VAL HA 1 24 LYS HB2 . . 4.370 4.213 4.126 4.577 0.207 20 0 "[ . 1 . 2]" 1
189 1 23 VAL HA 1 94 THR MG . . 5.150 4.149 3.809 4.680 . 0 0 "[ . 1 . 2]" 1
190 1 23 VAL HB 1 24 LYS H . . 4.580 4.419 4.268 4.609 0.029 19 0 "[ . 1 . 2]" 1
191 1 23 VAL HB 1 95 ILE H . . 4.410 3.819 3.424 4.150 . 0 0 "[ . 1 . 2]" 1
192 1 23 VAL HB 1 95 ILE HB . . 3.420 2.915 2.620 3.249 . 0 0 "[ . 1 . 2]" 1
193 1 23 VAL HB 1 95 ILE MD . . 4.030 4.028 3.901 4.063 0.033 17 0 "[ . 1 . 2]" 1
194 1 23 VAL HB 1 95 ILE MG . . 3.780 3.179 2.457 3.792 0.012 18 0 "[ . 1 . 2]" 1
195 1 23 VAL MG1 1 24 LYS H . . 3.490 2.770 2.504 3.281 . 0 0 "[ . 1 . 2]" 1
196 1 23 VAL MG1 1 24 LYS HA . . 4.470 4.045 3.878 4.245 . 0 0 "[ . 1 . 2]" 1
197 1 23 VAL MG1 1 58 ALA HA . . 4.210 3.573 2.970 3.864 . 0 0 "[ . 1 . 2]" 1
198 1 23 VAL MG1 1 58 ALA MB . . 2.830 2.310 1.954 2.624 . 0 0 "[ . 1 . 2]" 1
199 1 23 VAL MG1 1 59 GLY H . . 4.470 4.269 3.718 4.479 0.009 11 0 "[ . 1 . 2]" 1
200 1 23 VAL MG1 1 59 GLY HA3 . . 4.580 3.820 3.311 4.100 . 0 0 "[ . 1 . 2]" 1
201 1 23 VAL MG1 1 60 LEU HG . . 3.360 2.935 2.365 3.360 . 0 0 "[ . 1 . 2]" 1
202 1 23 VAL MG1 1 95 ILE HB . . 3.690 3.416 2.884 3.703 0.013 18 0 "[ . 1 . 2]" 1
203 1 23 VAL MG2 1 24 LYS H . . 4.030 4.016 3.888 4.063 0.033 19 0 "[ . 1 . 2]" 1
204 1 23 VAL MG2 1 97 ALA H . . 4.730 3.833 3.290 4.384 . 0 0 "[ . 1 . 2]" 1
205 1 23 VAL MG2 1 97 ALA MB . . 3.490 3.066 2.513 3.469 . 0 0 "[ . 1 . 2]" 1
206 1 24 LYS H 1 24 LYS HB2 . . 3.750 2.154 2.016 2.727 . 0 0 "[ . 1 . 2]" 1
207 1 24 LYS H 1 24 LYS HB3 . . 3.780 3.264 2.422 3.448 . 0 0 "[ . 1 . 2]" 1
208 1 24 LYS H 1 24 LYS HG2 . . 4.900 4.136 3.738 4.549 . 0 0 "[ . 1 . 2]" 1
209 1 24 LYS H 1 24 LYS HG3 . . 4.640 3.564 3.021 4.418 . 0 0 "[ . 1 . 2]" 1
210 1 24 LYS H 1 25 VAL H . . 4.510 4.617 4.589 4.657 0.147 19 0 "[ . 1 . 2]" 1
211 1 24 LYS HA 1 24 LYS HD3 . . 4.580 4.096 2.953 4.648 0.068 20 0 "[ . 1 . 2]" 1
212 1 24 LYS HA 1 24 LYS HG2 . . 4.140 2.264 1.979 3.484 . 0 0 "[ . 1 . 2]" 1
213 1 24 LYS HA 1 24 LYS HG3 . . 4.030 2.755 2.226 3.377 . 0 0 "[ . 1 . 2]" 1
214 1 24 LYS HA 1 25 VAL H . . 2.960 2.379 2.296 2.457 . 0 0 "[ . 1 . 2]" 1
215 1 24 LYS HA 1 25 VAL HA . . 4.900 4.431 4.399 4.461 . 0 0 "[ . 1 . 2]" 1
216 1 24 LYS HA 1 25 VAL HB . . 5.150 4.612 4.550 4.707 . 0 0 "[ . 1 . 2]" 1
217 1 24 LYS HA 1 25 VAL MG2 . . 4.280 3.262 3.062 3.338 . 0 0 "[ . 1 . 2]" 1
218 1 24 LYS HA 1 92 THR MG . . 4.900 4.547 4.311 4.822 . 0 0 "[ . 1 . 2]" 1
219 1 24 LYS HA 1 93 ILE H . . 5.500 5.184 4.856 5.531 0.031 20 0 "[ . 1 . 2]" 1
220 1 24 LYS HA 1 93 ILE MD . . 5.150 4.499 4.146 4.892 . 0 0 "[ . 1 . 2]" 1
221 1 24 LYS HA 1 94 THR HA . . 3.430 2.126 1.999 2.349 . 0 0 "[ . 1 . 2]" 1
222 1 24 LYS HA 1 94 THR HB . . 4.900 4.578 4.241 4.908 0.008 13 0 "[ . 1 . 2]" 1
223 1 24 LYS HA 1 94 THR MG . . 4.030 2.377 1.910 3.018 . 0 0 "[ . 1 . 2]" 1
224 1 24 LYS HA 1 95 ILE H . . 4.210 3.417 2.974 3.716 . 0 0 "[ . 1 . 2]" 1
225 1 24 LYS HB2 1 25 VAL H . . 4.570 4.164 4.003 4.321 . 0 0 "[ . 1 . 2]" 1
226 1 24 LYS HB2 1 94 THR MG . . 4.730 3.773 2.249 4.415 . 0 0 "[ . 1 . 2]" 1
227 1 24 LYS HB3 1 24 LYS QE . . 4.370 3.779 3.320 4.258 . 0 0 "[ . 1 . 2]" 1
228 1 24 LYS HB3 1 25 VAL H . . 4.470 2.992 2.655 3.955 . 0 0 "[ . 1 . 2]" 1
229 1 24 LYS HB3 1 92 THR MG . . 5.150 3.747 3.243 5.008 . 0 0 "[ . 1 . 2]" 1
230 1 24 LYS HB3 1 94 THR MG . . 4.730 4.237 3.608 4.679 . 0 0 "[ . 1 . 2]" 1
231 1 24 LYS HD2 1 94 THR MG . . 4.280 4.180 2.761 4.834 0.554 13 2 "[ . - 1 + . 2]" 1
232 1 24 LYS HD3 1 92 THR MG . . 3.820 3.170 1.969 3.838 0.018 20 0 "[ . 1 . 2]" 1
233 1 24 LYS QE 1 92 THR MG . . 3.590 2.901 1.807 3.484 . 0 0 "[ . 1 . 2]" 1
234 1 24 LYS QE 1 94 THR MG . . 4.030 3.363 2.816 3.914 . 0 0 "[ . 1 . 2]" 1
235 1 24 LYS HG2 1 25 VAL H . . 4.580 3.186 2.662 3.588 . 0 0 "[ . 1 . 2]" 1
236 1 24 LYS HG2 1 94 THR MG . . 3.690 2.555 1.908 4.065 0.375 20 0 "[ . 1 . 2]" 1
237 1 24 LYS HG3 1 25 VAL H . . 4.580 4.296 1.967 4.604 0.024 7 0 "[ . 1 . 2]" 1
238 1 24 LYS HG3 1 94 THR MG . . 4.030 2.348 1.963 3.362 . 0 0 "[ . 1 . 2]" 1
239 1 25 VAL H 1 25 VAL HB . . 3.940 2.784 2.733 2.924 . 0 0 "[ . 1 . 2]" 1
240 1 25 VAL H 1 25 VAL MG1 . . 4.140 3.909 3.890 3.959 . 0 0 "[ . 1 . 2]" 1
241 1 25 VAL H 1 25 VAL MG2 . . 3.490 2.818 2.643 2.899 . 0 0 "[ . 1 . 2]" 1
242 1 25 VAL H 1 26 GLN H . . 4.870 4.342 4.303 4.427 . 0 0 "[ . 1 . 2]" 1
243 1 25 VAL H 1 26 GLN HA . . 4.580 4.608 4.581 4.672 0.092 20 0 "[ . 1 . 2]" 1
244 1 25 VAL H 1 92 THR MG . . 4.370 3.122 2.888 3.430 . 0 0 "[ . 1 . 2]" 1
245 1 25 VAL H 1 93 ILE H . . 3.970 3.150 2.849 3.491 . 0 0 "[ . 1 . 2]" 1
246 1 25 VAL H 1 93 ILE MD . . 4.580 3.803 3.544 3.984 . 0 0 "[ . 1 . 2]" 1
247 1 25 VAL H 1 93 ILE HG12 . . 5.500 5.455 5.358 5.515 0.015 7 0 "[ . 1 . 2]" 1
248 1 25 VAL H 1 94 THR HA . . 4.370 3.093 2.847 3.371 . 0 0 "[ . 1 . 2]" 1
249 1 25 VAL H 1 94 THR MG . . 5.150 4.197 3.571 4.725 . 0 0 "[ . 1 . 2]" 1
250 1 25 VAL H 1 95 ILE H . . 5.210 5.078 4.661 5.231 0.021 17 0 "[ . 1 . 2]" 1
251 1 25 VAL HA 1 25 VAL MG1 . . 3.240 2.343 2.243 2.416 . 0 0 "[ . 1 . 2]" 1
252 1 25 VAL HA 1 25 VAL MG2 . . 3.470 2.423 2.378 2.513 . 0 0 "[ . 1 . 2]" 1
253 1 25 VAL HA 1 26 GLN H . . 2.980 2.240 2.209 2.354 . 0 0 "[ . 1 . 2]" 1
254 1 25 VAL HA 1 26 GLN QB . . 4.730 4.078 3.982 4.567 . 0 0 "[ . 1 . 2]" 1
255 1 25 VAL HA 1 26 GLN HG3 . . 5.500 4.936 3.655 5.240 . 0 0 "[ . 1 . 2]" 1
256 1 25 VAL HA 1 54 ILE MG . . 4.730 3.628 3.363 3.760 . 0 0 "[ . 1 . 2]" 1
257 1 25 VAL HA 1 58 ALA MB . . 3.940 2.459 2.098 2.835 . 0 0 "[ . 1 . 2]" 1
258 1 25 VAL HA 1 93 ILE H . . 5.150 4.729 4.500 4.902 . 0 0 "[ . 1 . 2]" 1
259 1 25 VAL HB 1 26 GLN H . . 4.080 4.043 3.708 4.123 0.043 10 0 "[ . 1 . 2]" 1
260 1 25 VAL HB 1 54 ILE MG . . 3.660 3.787 3.719 3.855 0.195 6 0 "[ . 1 . 2]" 1
261 1 25 VAL HB 1 58 ALA MB . . 4.370 4.118 3.908 4.289 . 0 0 "[ . 1 . 2]" 1
262 1 25 VAL HB 1 92 THR MG . . 4.580 4.455 4.244 4.603 0.023 16 0 "[ . 1 . 2]" 1
263 1 25 VAL HB 1 93 ILE H . . 4.580 2.680 2.413 2.858 . 0 0 "[ . 1 . 2]" 1
264 1 25 VAL HB 1 93 ILE MD . . 4.140 2.287 2.043 2.633 . 0 0 "[ . 1 . 2]" 1
265 1 25 VAL HB 1 93 ILE HG12 . . 4.730 4.740 4.680 4.773 0.043 7 0 "[ . 1 . 2]" 1
266 1 25 VAL HB 1 93 ILE MG . . 3.980 2.209 1.983 2.414 . 0 0 "[ . 1 . 2]" 1
267 1 25 VAL MG1 1 26 GLN H . . 3.850 2.338 1.919 2.711 . 0 0 "[ . 1 . 2]" 1
268 1 25 VAL MG1 1 26 GLN HA . . 4.140 3.939 3.760 4.085 . 0 0 "[ . 1 . 2]" 1
269 1 25 VAL MG1 1 27 LYS H . . 4.580 2.944 2.429 3.281 . 0 0 "[ . 1 . 2]" 1
270 1 25 VAL MG1 1 27 LYS HA . . 4.580 3.492 3.352 3.591 . 0 0 "[ . 1 . 2]" 1
271 1 25 VAL MG1 1 27 LYS HB2 . . 4.900 3.819 3.245 4.672 . 0 0 "[ . 1 . 2]" 1
272 1 25 VAL MG1 1 27 LYS HB3 . . 4.580 4.647 4.595 4.678 0.098 16 0 "[ . 1 . 2]" 1
273 1 25 VAL MG1 1 32 LEU MD1 . . 3.220 2.039 1.666 2.338 . 0 0 "[ . 1 . 2]" 1
274 1 25 VAL MG1 1 54 ILE HA . . 4.730 4.128 3.932 4.253 . 0 0 "[ . 1 . 2]" 1
275 1 25 VAL MG1 1 54 ILE HB . . 4.030 3.567 3.335 3.649 . 0 0 "[ . 1 . 2]" 1
276 1 25 VAL MG1 1 54 ILE MD . . 3.490 3.517 3.436 3.640 0.150 19 0 "[ . 1 . 2]" 1
277 1 25 VAL MG1 1 54 ILE MG . . 2.850 1.652 1.624 1.685 . 0 0 "[ . 1 . 2]" 1
278 1 25 VAL MG1 1 55 ALA H . . 4.740 4.067 3.847 4.328 . 0 0 "[ . 1 . 2]" 1
279 1 25 VAL MG1 1 55 ALA HA . . 4.140 3.237 2.984 3.480 . 0 0 "[ . 1 . 2]" 1
280 1 25 VAL MG1 1 58 ALA H . . 4.730 3.851 3.630 4.115 . 0 0 "[ . 1 . 2]" 1
281 1 25 VAL MG1 1 58 ALA HA . . 4.730 4.271 3.939 4.584 . 0 0 "[ . 1 . 2]" 1
282 1 25 VAL MG1 1 58 ALA MB . . 3.040 2.325 2.043 2.670 . 0 0 "[ . 1 . 2]" 1
283 1 25 VAL MG1 1 93 ILE H . . 4.210 3.848 3.696 4.023 . 0 0 "[ . 1 . 2]" 1
284 1 25 VAL MG1 1 93 ILE MD . . 4.140 3.138 3.003 3.307 . 0 0 "[ . 1 . 2]" 1
285 1 25 VAL MG2 1 26 GLN H . . 4.280 4.164 4.093 4.261 . 0 0 "[ . 1 . 2]" 1
286 1 25 VAL MG2 1 27 LYS H . . 5.500 5.140 4.792 5.280 . 0 0 "[ . 1 . 2]" 1
287 1 25 VAL MG2 1 32 LEU MD1 . . 3.210 2.569 2.063 3.060 . 0 0 "[ . 1 . 2]" 1
288 1 25 VAL MG2 1 55 ALA HA . . 4.370 3.825 3.394 4.224 . 0 0 "[ . 1 . 2]" 1
289 1 25 VAL MG2 1 58 ALA H . . 5.500 4.650 4.307 4.943 . 0 0 "[ . 1 . 2]" 1
290 1 25 VAL MG2 1 58 ALA HA . . 5.150 4.069 3.745 4.273 . 0 0 "[ . 1 . 2]" 1
291 1 25 VAL MG2 1 58 ALA MB . . 3.120 2.099 1.843 2.373 . 0 0 "[ . 1 . 2]" 1
292 1 25 VAL MG2 1 93 ILE H . . 4.210 4.053 3.811 4.169 . 0 0 "[ . 1 . 2]" 1
293 1 25 VAL MG2 1 93 ILE MD . . 3.470 2.152 2.030 2.276 . 0 0 "[ . 1 . 2]" 1
294 1 25 VAL MG2 1 93 ILE HG12 . . 4.580 4.332 4.161 4.520 . 0 0 "[ . 1 . 2]" 1
295 1 25 VAL MG2 1 93 ILE HG13 . . 4.900 4.817 4.587 4.920 0.020 13 0 "[ . 1 . 2]" 1
296 1 25 VAL MG2 1 94 THR H . . 5.500 4.692 4.466 4.949 . 0 0 "[ . 1 . 2]" 1
297 1 25 VAL MG2 1 95 ILE H . . 5.260 3.754 3.382 4.041 . 0 0 "[ . 1 . 2]" 1
298 1 26 GLN H 1 26 GLN QB . . 3.520 2.414 2.237 3.194 . 0 0 "[ . 1 . 2]" 1
299 1 26 GLN H 1 26 GLN HG3 . . 3.940 3.671 1.932 3.993 0.053 13 0 "[ . 1 . 2]" 1
300 1 26 GLN H 1 27 LYS H . . 4.880 3.511 2.919 3.710 . 0 0 "[ . 1 . 2]" 1
301 1 26 GLN H 1 54 ILE MG . . 4.820 2.910 2.323 3.227 . 0 0 "[ . 1 . 2]" 1
302 1 26 GLN H 1 93 ILE H . . 5.090 5.029 4.719 5.161 0.071 16 0 "[ . 1 . 2]" 1
303 1 26 GLN HA 1 26 GLN HG2 . . 3.610 2.272 2.007 3.689 0.079 19 0 "[ . 1 . 2]" 1
304 1 26 GLN HA 1 27 LYS H . . 3.160 2.499 2.429 2.690 . 0 0 "[ . 1 . 2]" 1
305 1 26 GLN HA 1 93 ILE H . . 5.150 3.973 3.715 4.148 . 0 0 "[ . 1 . 2]" 1
306 1 26 GLN QB 1 27 LYS H . . 4.710 4.018 4.004 4.058 . 0 0 "[ . 1 . 2]" 1
307 1 26 GLN QB 1 54 ILE MD . . 4.370 3.887 3.457 4.260 . 0 0 "[ . 1 . 2]" 1
308 1 26 GLN QB 1 92 THR MG . . 5.150 3.928 2.411 4.495 . 0 0 "[ . 1 . 2]" 1
309 1 26 GLN HE21 1 92 THR MG . . 5.150 4.003 3.187 5.088 . 0 0 "[ . 1 . 2]" 1
310 1 26 GLN HE22 1 26 GLN HG3 . . 4.080 3.812 3.445 4.147 0.067 19 0 "[ . 1 . 2]" 1
311 1 26 GLN HG2 1 27 LYS H . . 4.280 4.497 4.293 5.247 0.967 19 3 "[ . 1 *. +-]" 1
312 1 26 GLN HG3 1 92 THR MG . . 3.890 3.438 2.699 4.622 0.732 20 3 "[ . 1 -. *+]" 1
313 1 27 LYS H 1 27 LYS HB2 . . 4.010 2.212 2.006 2.558 . 0 0 "[ . 1 . 2]" 1
314 1 27 LYS H 1 27 LYS HB3 . . 3.980 3.332 3.082 3.556 . 0 0 "[ . 1 . 2]" 1
315 1 27 LYS H 1 27 LYS HG2 . . 4.370 3.631 1.949 4.550 0.180 2 0 "[ . 1 . 2]" 1
316 1 27 LYS H 1 27 LYS HG3 . . 4.160 3.536 2.650 4.194 0.034 15 0 "[ . 1 . 2]" 1
317 1 27 LYS H 1 28 GLY H . . 3.630 3.260 3.088 3.563 . 0 0 "[ . 1 . 2]" 1
318 1 27 LYS H 1 28 GLY HA2 . . 5.500 5.175 5.075 5.475 . 0 0 "[ . 1 . 2]" 1
319 1 27 LYS H 1 28 GLY HA3 . . 5.500 5.214 5.081 5.394 . 0 0 "[ . 1 . 2]" 1
320 1 27 LYS H 1 54 ILE MD . . 5.060 3.995 3.709 4.301 . 0 0 "[ . 1 . 2]" 1
321 1 27 LYS H 1 91 ASP HB3 . . 5.500 5.495 5.312 5.560 0.060 19 0 "[ . 1 . 2]" 1
322 1 27 LYS H 1 92 THR MG . . 4.470 4.210 3.956 4.474 0.004 18 0 "[ . 1 . 2]" 1
323 1 27 LYS H 1 93 ILE H . . 5.390 3.514 3.255 3.808 . 0 0 "[ . 1 . 2]" 1
324 1 27 LYS H 1 93 ILE MG . . 4.900 3.371 3.210 3.498 . 0 0 "[ . 1 . 2]" 1
325 1 27 LYS HA 1 27 LYS HD3 . . 4.210 3.297 2.952 4.404 0.194 7 0 "[ . 1 . 2]" 1
326 1 27 LYS HA 1 27 LYS QE . . 5.150 4.482 4.361 4.634 . 0 0 "[ . 1 . 2]" 1
327 1 27 LYS HA 1 27 LYS HG3 . . 3.640 2.646 1.987 3.783 0.143 17 0 "[ . 1 . 2]" 1
328 1 27 LYS HA 1 28 GLY H . . 3.620 3.603 3.515 3.639 0.019 14 0 "[ . 1 . 2]" 1
329 1 27 LYS HA 1 54 ILE HB . . 4.730 4.092 3.553 4.417 . 0 0 "[ . 1 . 2]" 1
330 1 27 LYS HA 1 54 ILE MD . . 3.280 2.115 1.949 2.403 . 0 0 "[ . 1 . 2]" 1
331 1 27 LYS HA 1 54 ILE MG . . 3.690 2.070 1.960 2.440 . 0 0 "[ . 1 . 2]" 1
332 1 27 LYS HA 1 93 ILE MG . . 5.400 4.894 4.650 5.109 . 0 0 "[ . 1 . 2]" 1
333 1 27 LYS HB2 1 28 GLY H . . 4.250 2.572 1.986 3.059 . 0 0 "[ . 1 . 2]" 1
334 1 27 LYS HB2 1 93 ILE MG . . 3.370 3.044 2.740 3.384 0.014 3 0 "[ . 1 . 2]" 1
335 1 27 LYS HB3 1 27 LYS QE . . 4.900 3.677 3.146 4.031 . 0 0 "[ . 1 . 2]" 1
336 1 27 LYS HB3 1 28 GLY H . . 4.200 2.363 1.919 3.216 . 0 0 "[ . 1 . 2]" 1
337 1 27 LYS HB3 1 54 ILE MD . . 4.370 4.228 3.864 4.401 0.031 2 0 "[ . 1 . 2]" 1
338 1 27 LYS HB3 1 54 ILE MG . . 4.080 3.969 3.579 4.168 0.088 13 0 "[ . 1 . 2]" 1
339 1 27 LYS HB3 1 93 ILE MG . . 4.900 4.109 3.821 4.316 . 0 0 "[ . 1 . 2]" 1
340 1 27 LYS HD2 1 32 LEU MD1 . . 4.280 2.789 1.914 4.167 . 0 0 "[ . 1 . 2]" 1
341 1 27 LYS HD2 1 93 ILE MG . . 4.370 3.878 2.042 4.391 0.021 16 0 "[ . 1 . 2]" 1
342 1 27 LYS HD3 1 28 GLY H . . 5.070 5.147 4.190 5.884 0.814 14 7 "[* - . *1** +. * 2]" 1
343 1 27 LYS HD3 1 32 LEU HA . . 4.370 3.919 2.603 5.209 0.839 13 2 "[ . - 1 + . 2]" 1
344 1 27 LYS HD3 1 32 LEU MD1 . . 4.140 2.872 1.995 4.149 0.009 7 0 "[ . 1 . 2]" 1
345 1 27 LYS HD3 1 93 ILE MG . . 4.030 3.130 1.943 4.288 0.258 14 0 "[ . 1 . 2]" 1
346 1 27 LYS QE 1 27 LYS HG3 . . 3.890 2.688 1.951 3.144 . 0 0 "[ . 1 . 2]" 1
347 1 27 LYS QE 1 31 PRO HA . . 4.730 3.708 2.640 4.173 . 0 0 "[ . 1 . 2]" 1
348 1 27 LYS QE 1 32 LEU H . . 4.900 3.317 2.364 3.994 . 0 0 "[ . 1 . 2]" 1
349 1 27 LYS QE 1 32 LEU HA . . 5.150 3.067 2.247 3.577 . 0 0 "[ . 1 . 2]" 1
350 1 27 LYS QE 1 32 LEU MD1 . . 4.470 2.187 1.895 3.292 . 0 0 "[ . 1 . 2]" 1
351 1 27 LYS QE 1 32 LEU MD2 . . 5.500 3.346 2.965 3.819 . 0 0 "[ . 1 . 2]" 1
352 1 27 LYS QE 1 32 LEU HG . . 4.900 4.403 4.044 4.767 . 0 0 "[ . 1 . 2]" 1
353 1 27 LYS QE 1 93 ILE MG . . 3.940 2.801 1.905 3.450 . 0 0 "[ . 1 . 2]" 1
354 1 27 LYS HG2 1 30 GLU H . . 5.440 4.150 2.873 5.523 0.083 17 0 "[ . 1 . 2]" 1
355 1 27 LYS HG3 1 28 GLY H . . 4.330 4.312 4.204 4.555 0.225 20 0 "[ . 1 . 2]" 1
356 1 27 LYS HG3 1 30 GLU H . . 5.500 4.129 2.812 5.542 0.042 3 0 "[ . 1 . 2]" 1
357 1 28 GLY H 1 54 ILE MD . . 4.900 4.742 4.529 4.912 0.012 13 0 "[ . 1 . 2]" 1
358 1 28 GLY H 1 91 ASP HB3 . . 4.470 3.798 3.230 4.319 . 0 0 "[ . 1 . 2]" 1
359 1 28 GLY HA2 1 30 GLU H . . 5.090 4.963 4.481 5.168 0.078 17 0 "[ . 1 . 2]" 1
360 1 28 GLY HA2 1 91 ASP HB3 . . 4.370 3.105 2.491 3.577 . 0 0 "[ . 1 . 2]" 1
361 1 28 GLY HA3 1 30 GLU H . . 4.900 4.471 3.865 4.905 0.005 15 0 "[ . 1 . 2]" 1
362 1 28 GLY HA3 1 91 ASP HB3 . . 5.500 4.530 3.713 5.046 . 0 0 "[ . 1 . 2]" 1
363 1 29 SER H 1 30 GLU H . . 4.520 2.205 1.904 2.661 . 0 0 "[ . 1 . 2]" 1
364 1 29 SER HA 1 29 SER HB2 . . 3.040 2.849 2.505 3.052 0.012 11 0 "[ . 1 . 2]" 1
365 1 29 SER HA 1 30 GLU QB . . 5.150 4.930 4.786 5.011 . 0 0 "[ . 1 . 2]" 1
366 1 29 SER HB2 1 30 GLU H . . 4.960 4.428 4.232 4.656 . 0 0 "[ . 1 . 2]" 1
367 1 29 SER HB3 1 30 GLU H . . 4.520 4.443 4.202 4.720 0.200 3 0 "[ . 1 . 2]" 1
368 1 30 GLU H 1 30 GLU QB . . 3.410 2.680 2.542 3.205 . 0 0 "[ . 1 . 2]" 1
369 1 30 GLU H 1 30 GLU QG . . 3.820 3.596 2.548 3.741 . 0 0 "[ . 1 . 2]" 1
370 1 30 GLU H 1 31 PRO HD2 . . 5.150 4.960 4.937 4.981 . 0 0 "[ . 1 . 2]" 1
371 1 30 GLU H 1 31 PRO HD3 . . 5.140 4.678 4.579 4.737 . 0 0 "[ . 1 . 2]" 1
372 1 30 GLU H 1 54 ILE MD . . 4.940 4.012 3.466 4.672 . 0 0 "[ . 1 . 2]" 1
373 1 30 GLU HA 1 30 GLU QG . . 3.590 2.240 2.074 3.427 . 0 0 "[ . 1 . 2]" 1
374 1 30 GLU HA 1 31 PRO HD2 . . 3.110 2.804 2.685 2.877 . 0 0 "[ . 1 . 2]" 1
375 1 30 GLU HA 1 31 PRO HD3 . . 2.910 2.057 1.991 2.103 . 0 0 "[ . 1 . 2]" 1
376 1 30 GLU QB 1 31 PRO HD2 . . 3.530 2.120 1.918 2.297 . 0 0 "[ . 1 . 2]" 1
377 1 30 GLU QB 1 31 PRO HD3 . . 3.780 3.124 2.858 3.273 . 0 0 "[ . 1 . 2]" 1
378 1 30 GLU QB 1 54 ILE MD . . 3.820 2.396 1.957 3.589 . 0 0 "[ . 1 . 2]" 1
379 1 30 GLU QG 1 31 PRO HD2 . . 3.980 3.234 2.719 3.618 . 0 0 "[ . 1 . 2]" 1
380 1 30 GLU QG 1 54 ILE MD . . 4.140 3.714 1.859 3.981 . 0 0 "[ . 1 . 2]" 1
381 1 31 PRO HA 1 32 LEU H . . 3.050 2.479 2.342 2.704 . 0 0 "[ . 1 . 2]" 1
382 1 31 PRO HA 1 32 LEU HB2 . . 4.280 4.287 4.136 4.407 0.127 20 0 "[ . 1 . 2]" 1
383 1 31 PRO HA 1 32 LEU HB3 . . 5.150 5.036 4.868 5.164 0.014 9 0 "[ . 1 . 2]" 1
384 1 31 PRO HA 1 33 GLY H . . 4.730 4.666 4.174 4.758 0.028 9 0 "[ . 1 . 2]" 1
385 1 31 PRO HB2 1 32 LEU H . . 4.470 2.611 2.106 2.955 . 0 0 "[ . 1 . 2]" 1
386 1 31 PRO HB2 1 33 GLY H . . 4.210 3.088 2.650 3.337 . 0 0 "[ . 1 . 2]" 1
387 1 31 PRO HB3 1 32 LEU H . . 4.280 3.354 3.146 3.526 . 0 0 "[ . 1 . 2]" 1
388 1 31 PRO HB3 1 33 GLY H . . 5.190 4.573 4.081 4.774 . 0 0 "[ . 1 . 2]" 1
389 1 31 PRO HG2 1 32 LEU H . . 5.150 4.638 4.171 4.915 . 0 0 "[ . 1 . 2]" 1
390 1 31 PRO HG2 1 33 GLY H . . 5.150 4.833 4.520 5.168 0.018 18 0 "[ . 1 . 2]" 1
391 1 32 LEU H 1 32 LEU HB2 . . 3.770 2.390 2.098 2.745 . 0 0 "[ . 1 . 2]" 1
392 1 32 LEU H 1 32 LEU HB3 . . 3.780 2.627 2.456 2.840 . 0 0 "[ . 1 . 2]" 1
393 1 32 LEU H 1 32 LEU MD1 . . 4.900 3.886 3.549 4.119 . 0 0 "[ . 1 . 2]" 1
394 1 32 LEU H 1 32 LEU MD2 . . 4.730 4.235 4.064 4.373 . 0 0 "[ . 1 . 2]" 1
395 1 32 LEU H 1 32 LEU HG . . 4.470 4.507 4.431 4.564 0.094 15 0 "[ . 1 . 2]" 1
396 1 32 LEU H 1 33 GLY H . . 4.360 2.540 2.113 2.952 . 0 0 "[ . 1 . 2]" 1
397 1 32 LEU HA 1 32 LEU MD1 . . 2.980 2.021 1.912 2.130 . 0 0 "[ . 1 . 2]" 1
398 1 32 LEU HA 1 32 LEU MD2 . . 3.980 3.826 3.761 3.869 . 0 0 "[ . 1 . 2]" 1
399 1 32 LEU HA 1 32 LEU HG . . 3.750 2.966 2.788 3.087 . 0 0 "[ . 1 . 2]" 1
400 1 32 LEU HA 1 54 ILE H . . 5.500 4.112 3.661 5.555 0.055 19 0 "[ . 1 . 2]" 1
401 1 32 LEU HA 1 54 ILE HB . . 3.720 2.096 1.984 2.581 . 0 0 "[ . 1 . 2]" 1
402 1 32 LEU HA 1 54 ILE HG13 . . 3.980 3.741 3.520 3.988 0.008 19 0 "[ . 1 . 2]" 1
403 1 32 LEU HA 1 54 ILE MG . . 3.720 2.972 2.603 3.757 0.037 19 0 "[ . 1 . 2]" 1
404 1 32 LEU HA 1 55 ALA H . . 4.580 2.857 2.598 3.179 . 0 0 "[ . 1 . 2]" 1
405 1 32 LEU HA 1 55 ALA MB . . 4.580 3.566 3.343 3.895 . 0 0 "[ . 1 . 2]" 1
406 1 32 LEU HB2 1 32 LEU MD2 . . 3.370 2.428 2.250 2.516 . 0 0 "[ . 1 . 2]" 1
407 1 32 LEU HB2 1 33 GLY H . . 4.370 3.653 3.425 3.950 . 0 0 "[ . 1 . 2]" 1
408 1 32 LEU HB2 1 34 ILE HG12 . . 4.540 4.022 3.809 4.174 . 0 0 "[ . 1 . 2]" 1
409 1 32 LEU HB2 1 55 ALA MB . . 4.730 4.566 4.269 4.742 0.012 8 0 "[ . 1 . 2]" 1
410 1 32 LEU HB3 1 32 LEU MD2 . . 3.290 2.276 2.166 2.472 . 0 0 "[ . 1 . 2]" 1
411 1 32 LEU HB3 1 33 GLY H . . 4.060 2.431 2.249 2.888 . 0 0 "[ . 1 . 2]" 1
412 1 32 LEU HB3 1 33 GLY HA2 . . 4.580 4.476 4.351 4.694 0.114 19 0 "[ . 1 . 2]" 1
413 1 32 LEU HB3 1 33 GLY HA3 . . 5.150 4.750 4.587 5.019 . 0 0 "[ . 1 . 2]" 1
414 1 32 LEU HB3 1 34 ILE H . . 3.940 3.507 3.216 3.799 . 0 0 "[ . 1 . 2]" 1
415 1 32 LEU HB3 1 34 ILE MD . . 4.900 3.816 3.513 4.092 . 0 0 "[ . 1 . 2]" 1
416 1 32 LEU HB3 1 34 ILE HG12 . . 4.280 2.740 2.411 2.986 . 0 0 "[ . 1 . 2]" 1
417 1 32 LEU HB3 1 55 ALA MB . . 4.580 3.917 3.592 4.168 . 0 0 "[ . 1 . 2]" 1
418 1 32 LEU MD1 1 54 ILE HB . . 4.140 2.737 2.340 3.011 . 0 0 "[ . 1 . 2]" 1
419 1 32 LEU MD1 1 55 ALA H . . 3.790 2.616 2.165 3.080 . 0 0 "[ . 1 . 2]" 1
420 1 32 LEU MD1 1 55 ALA HA . . 3.720 2.454 2.099 2.862 . 0 0 "[ . 1 . 2]" 1
421 1 32 LEU MD1 1 55 ALA MB . . 3.330 2.624 2.216 3.059 . 0 0 "[ . 1 . 2]" 1
422 1 32 LEU MD1 1 69 PHE QE . . 4.370 3.850 3.293 4.386 0.016 20 0 "[ . 1 . 2]" 1
423 1 32 LEU MD1 1 93 ILE MD . . 4.030 3.318 2.661 3.921 . 0 0 "[ . 1 . 2]" 1
424 1 32 LEU MD2 1 33 GLY H . . 5.150 4.300 4.097 4.636 . 0 0 "[ . 1 . 2]" 1
425 1 32 LEU MD2 1 34 ILE H . . 4.710 4.320 4.004 4.583 . 0 0 "[ . 1 . 2]" 1
426 1 32 LEU MD2 1 34 ILE MD . . 2.900 1.988 1.706 2.214 . 0 0 "[ . 1 . 2]" 1
427 1 32 LEU MD2 1 34 ILE HG12 . . 3.020 2.019 1.931 2.275 . 0 0 "[ . 1 . 2]" 1
428 1 32 LEU MD2 1 34 ILE HG13 . . 3.750 2.763 2.411 3.109 . 0 0 "[ . 1 . 2]" 1
429 1 32 LEU MD2 1 55 ALA HA . . 5.500 4.252 4.010 4.491 . 0 0 "[ . 1 . 2]" 1
430 1 32 LEU MD2 1 86 ILE HA . . 4.900 3.286 3.065 3.616 . 0 0 "[ . 1 . 2]" 1
431 1 32 LEU MD2 1 86 ILE HB . . 4.580 2.035 1.776 2.353 . 0 0 "[ . 1 . 2]" 1
432 1 32 LEU MD2 1 86 ILE MD . . 3.890 3.115 2.288 3.672 . 0 0 "[ . 1 . 2]" 1
433 1 32 LEU MD2 1 86 ILE MG . . 3.660 2.933 2.271 3.531 . 0 0 "[ . 1 . 2]" 1
434 1 32 LEU MD2 1 93 ILE MD . . 4.030 3.426 2.786 4.048 0.018 16 0 "[ . 1 . 2]" 1
435 1 32 LEU HG 1 34 ILE H . . 4.470 4.445 4.306 4.502 0.032 19 0 "[ . 1 . 2]" 1
436 1 32 LEU HG 1 34 ILE HB . . 4.900 4.618 4.432 4.820 . 0 0 "[ . 1 . 2]" 1
437 1 32 LEU HG 1 34 ILE MD . . 3.940 3.461 3.071 3.657 . 0 0 "[ . 1 . 2]" 1
438 1 32 LEU HG 1 34 ILE HG12 . . 3.550 2.012 1.972 2.101 . 0 0 "[ . 1 . 2]" 1
439 1 32 LEU HG 1 34 ILE MG . . 3.610 2.616 2.379 3.000 . 0 0 "[ . 1 . 2]" 1
440 1 32 LEU HG 1 55 ALA MB . . 3.450 2.052 1.808 2.345 . 0 0 "[ . 1 . 2]" 1
441 1 33 GLY H 1 34 ILE H . . 3.500 2.706 2.501 3.022 . 0 0 "[ . 1 . 2]" 1
442 1 33 GLY H 1 34 ILE HG12 . . 5.090 4.134 3.791 4.491 . 0 0 "[ . 1 . 2]" 1
443 1 33 GLY H 1 34 ILE MG . . 4.730 4.149 3.983 4.325 . 0 0 "[ . 1 . 2]" 1
444 1 33 GLY H 1 55 ALA MB . . 5.500 4.386 4.143 4.553 . 0 0 "[ . 1 . 2]" 1
445 1 33 GLY HA2 1 34 ILE MG . . 4.730 4.222 4.108 4.387 . 0 0 "[ . 1 . 2]" 1
446 1 33 GLY HA2 1 50 THR H . . 4.980 4.567 4.130 5.176 0.196 14 0 "[ . 1 . 2]" 1
447 1 33 GLY HA2 1 50 THR HB . . 4.470 3.669 3.320 4.333 . 0 0 "[ . 1 . 2]" 1
448 1 33 GLY HA2 1 50 THR MG . . 4.900 4.153 3.525 4.589 . 0 0 "[ . 1 . 2]" 1
449 1 33 GLY HA2 1 53 SER HB2 . . 4.900 4.812 4.176 5.376 0.476 14 0 "[ . 1 . 2]" 1
450 1 33 GLY HA2 1 53 SER HB3 . . 4.580 4.560 3.630 4.938 0.358 20 0 "[ . 1 . 2]" 1
451 1 33 GLY HA2 1 55 ALA MB . . 4.730 4.759 4.579 4.830 0.100 13 0 "[ . 1 . 2]" 1
452 1 33 GLY HA3 1 34 ILE MG . . 5.150 3.769 3.615 3.942 . 0 0 "[ . 1 . 2]" 1
453 1 33 GLY HA3 1 50 THR H . . 5.150 3.948 3.492 4.889 . 0 0 "[ . 1 . 2]" 1
454 1 33 GLY HA3 1 55 ALA MB . . 4.580 3.823 3.638 3.905 . 0 0 "[ . 1 . 2]" 1
455 1 34 ILE H 1 34 ILE MD . . 3.940 3.905 3.584 4.000 0.060 16 0 "[ . 1 . 2]" 1
456 1 34 ILE H 1 34 ILE HG12 . . 3.420 3.305 2.922 3.473 0.053 16 0 "[ . 1 . 2]" 1
457 1 34 ILE H 1 34 ILE HG13 . . 3.850 2.255 2.004 2.391 . 0 0 "[ . 1 . 2]" 1
458 1 34 ILE H 1 34 ILE MG . . 3.610 3.268 3.200 3.344 . 0 0 "[ . 1 . 2]" 1
459 1 34 ILE H 1 35 SER H . . 4.910 4.332 4.253 4.391 . 0 0 "[ . 1 . 2]" 1
460 1 34 ILE H 1 55 ALA MB . . 4.580 4.379 4.106 4.528 . 0 0 "[ . 1 . 2]" 1
461 1 34 ILE H 1 86 ILE MD . . 4.580 4.159 3.546 4.575 . 0 0 "[ . 1 . 2]" 1
462 1 34 ILE HA 1 34 ILE MD . . 4.210 3.970 3.895 4.074 . 0 0 "[ . 1 . 2]" 1
463 1 34 ILE HA 1 34 ILE MG . . 3.120 2.277 2.233 2.325 . 0 0 "[ . 1 . 2]" 1
464 1 34 ILE HA 1 35 SER H . . 2.990 2.317 2.215 2.443 . 0 0 "[ . 1 . 2]" 1
465 1 34 ILE HA 1 35 SER HB2 . . 4.900 4.245 4.078 5.164 0.264 9 0 "[ . 1 . 2]" 1
466 1 34 ILE HA 1 35 SER HB3 . . 5.150 4.855 4.102 5.127 . 0 0 "[ . 1 . 2]" 1
467 1 34 ILE HA 1 46 VAL MG1 . . 4.470 4.308 4.008 4.472 0.002 3 0 "[ . 1 . 2]" 1
468 1 34 ILE HA 1 48 LYS H . . 4.730 4.706 4.456 4.793 0.063 9 0 "[ . 1 . 2]" 1
469 1 34 ILE HA 1 48 LYS HB3 . . 4.900 4.589 4.259 4.917 0.017 14 0 "[ . 1 . 2]" 1
470 1 34 ILE HA 1 49 VAL HA . . 3.640 2.040 1.942 2.337 . 0 0 "[ . 1 . 2]" 1
471 1 34 ILE HA 1 49 VAL QG . . 4.900 3.398 3.019 3.729 . 0 0 "[ . 1 . 2]" 1
472 1 34 ILE HA 1 50 THR H . . 4.370 2.969 2.621 3.955 . 0 0 "[ . 1 . 2]" 1
473 1 34 ILE HA 1 55 ALA MB . . 5.150 4.012 3.740 4.241 . 0 0 "[ . 1 . 2]" 1
474 1 34 ILE HB 1 34 ILE MD . . 3.190 2.105 1.987 2.160 . 0 0 "[ . 1 . 2]" 1
475 1 34 ILE HB 1 35 SER H . . 3.570 2.870 2.534 3.251 . 0 0 "[ . 1 . 2]" 1
476 1 34 ILE HB 1 35 SER HA . . 5.150 4.678 4.532 4.836 . 0 0 "[ . 1 . 2]" 1
477 1 34 ILE HB 1 36 ILE MG . . 4.080 3.689 3.504 3.859 . 0 0 "[ . 1 . 2]" 1
478 1 34 ILE HB 1 46 VAL MG1 . . 3.530 3.068 2.719 3.519 . 0 0 "[ . 1 . 2]" 1
479 1 34 ILE HB 1 46 VAL MG2 . . 4.280 3.656 3.285 4.008 . 0 0 "[ . 1 . 2]" 1
480 1 34 ILE HB 1 49 VAL HA . . 5.150 3.374 3.049 3.804 . 0 0 "[ . 1 . 2]" 1
481 1 34 ILE HB 1 86 ILE MD . . 4.900 4.401 3.863 4.801 . 0 0 "[ . 1 . 2]" 1
482 1 34 ILE MD 1 35 SER H . . 4.730 3.974 3.418 4.489 . 0 0 "[ . 1 . 2]" 1
483 1 34 ILE MD 1 46 VAL HA . . 4.900 4.216 3.723 4.882 . 0 0 "[ . 1 . 2]" 1
484 1 34 ILE MD 1 86 ILE MD . . 3.390 2.095 1.870 2.459 . 0 0 "[ . 1 . 2]" 1
485 1 34 ILE HG13 1 35 SER H . . 4.900 4.441 4.182 4.805 . 0 0 "[ . 1 . 2]" 1
486 1 34 ILE HG13 1 86 ILE MD . . 3.750 2.853 2.286 3.265 . 0 0 "[ . 1 . 2]" 1
487 1 34 ILE MG 1 35 SER H . . 3.720 3.714 3.615 3.790 0.070 17 0 "[ . 1 . 2]" 1
488 1 34 ILE MG 1 48 LYS H . . 5.150 5.103 4.792 5.198 0.048 13 0 "[ . 1 . 2]" 1
489 1 34 ILE MG 1 49 VAL HA . . 3.370 2.090 1.953 2.537 . 0 0 "[ . 1 . 2]" 1
490 1 34 ILE MG 1 50 THR H . . 4.470 2.960 2.234 3.995 . 0 0 "[ . 1 . 2]" 1
491 1 34 ILE MG 1 55 ALA H . . 4.310 3.669 3.482 3.842 . 0 0 "[ . 1 . 2]" 1
492 1 34 ILE MG 1 55 ALA HA . . 4.470 3.611 3.225 3.861 . 0 0 "[ . 1 . 2]" 1
493 1 34 ILE MG 1 55 ALA MB . . 2.650 1.622 1.596 1.680 . 0 0 "[ . 1 . 2]" 1
494 1 35 SER H 1 35 SER HB2 . . 3.820 2.641 2.285 3.417 . 0 0 "[ . 1 . 2]" 1
495 1 35 SER H 1 35 SER HB3 . . 4.080 2.687 2.201 2.931 . 0 0 "[ . 1 . 2]" 1
496 1 35 SER H 1 36 ILE MG . . 5.150 4.080 3.802 4.334 . 0 0 "[ . 1 . 2]" 1
497 1 35 SER H 1 46 VAL MG1 . . 4.140 3.258 3.049 3.561 . 0 0 "[ . 1 . 2]" 1
498 1 35 SER H 1 47 SER H . . 5.220 3.750 3.581 3.982 . 0 0 "[ . 1 . 2]" 1
499 1 35 SER H 1 48 LYS H . . 3.750 2.706 2.560 2.870 . 0 0 "[ . 1 . 2]" 1
500 1 35 SER H 1 48 LYS HB2 . . 4.900 4.436 4.043 4.838 . 0 0 "[ . 1 . 2]" 1
501 1 35 SER H 1 48 LYS HB3 . . 4.540 3.470 3.141 3.966 . 0 0 "[ . 1 . 2]" 1
502 1 35 SER H 1 49 VAL HA . . 4.730 3.197 3.052 3.388 . 0 0 "[ . 1 . 2]" 1
503 1 35 SER HA 1 36 ILE H . . 3.210 2.328 2.306 2.379 . 0 0 "[ . 1 . 2]" 1
504 1 35 SER HA 1 36 ILE HG12 . . 4.900 4.915 4.872 4.930 0.030 7 0 "[ . 1 . 2]" 1
505 1 35 SER HA 1 36 ILE HG13 . . 4.730 3.849 3.671 4.003 . 0 0 "[ . 1 . 2]" 1
506 1 35 SER HA 1 36 ILE MG . . 4.580 3.572 3.410 3.711 . 0 0 "[ . 1 . 2]" 1
507 1 35 SER HB2 1 36 ILE H . . 4.210 4.209 3.374 4.279 0.069 18 0 "[ . 1 . 2]" 1
508 1 35 SER HB2 1 48 LYS H . . 3.980 3.644 3.242 4.408 0.428 9 0 "[ . 1 . 2]" 1
509 1 35 SER HB2 1 48 LYS HB2 . . 3.850 3.410 2.835 4.089 0.239 9 0 "[ . 1 . 2]" 1
510 1 35 SER HB2 1 48 LYS HB3 . . 3.570 2.679 2.292 3.485 . 0 0 "[ . 1 . 2]" 1
511 1 35 SER HB2 1 48 LYS HG2 . . 5.150 5.008 4.451 5.534 0.384 9 0 "[ . 1 . 2]" 1
512 1 35 SER HB2 1 48 LYS HG3 . . 5.500 5.423 4.993 6.333 0.833 9 1 "[ . +1 . 2]" 1
513 1 35 SER HB3 1 36 ILE H . . 3.850 3.814 3.451 4.260 0.410 9 0 "[ . 1 . 2]" 1
514 1 35 SER HB3 1 37 VAL MG1 . . 4.730 4.218 3.937 5.168 0.438 9 0 "[ . 1 . 2]" 1
515 1 35 SER HB3 1 48 LYS H . . 4.470 2.383 2.112 3.045 . 0 0 "[ . 1 . 2]" 1
516 1 35 SER HB3 1 48 LYS HB2 . . 4.280 2.958 2.562 3.221 . 0 0 "[ . 1 . 2]" 1
517 1 35 SER HB3 1 48 LYS HB3 . . 3.940 2.970 1.983 3.577 . 0 0 "[ . 1 . 2]" 1
518 1 35 SER HB3 1 48 LYS HG3 . . 5.500 5.197 4.766 5.509 0.009 14 0 "[ . 1 . 2]" 1
519 1 36 ILE H 1 36 ILE MD . . 3.610 3.491 3.293 3.622 0.012 18 0 "[ . 1 . 2]" 1
520 1 36 ILE H 1 36 ILE HG12 . . 3.750 3.591 3.509 3.696 . 0 0 "[ . 1 . 2]" 1
521 1 36 ILE H 1 36 ILE HG13 . . 3.610 2.105 2.040 2.190 . 0 0 "[ . 1 . 2]" 1
522 1 36 ILE H 1 36 ILE MG . . 3.940 3.048 2.895 3.161 . 0 0 "[ . 1 . 2]" 1
523 1 36 ILE H 1 37 VAL H . . 4.600 4.418 4.382 4.446 . 0 0 "[ . 1 . 2]" 1
524 1 36 ILE H 1 86 ILE MD . . 4.730 4.267 3.987 4.718 . 0 0 "[ . 1 . 2]" 1
525 1 36 ILE HA 1 36 ILE MD . . 4.140 3.621 3.565 3.675 . 0 0 "[ . 1 . 2]" 1
526 1 36 ILE HA 1 36 ILE MG . . 3.260 2.294 2.188 2.426 . 0 0 "[ . 1 . 2]" 1
527 1 36 ILE HA 1 37 VAL H . . 3.200 2.357 2.284 2.429 . 0 0 "[ . 1 . 2]" 1
528 1 36 ILE HA 1 37 VAL HA . . 5.150 4.439 4.394 4.489 . 0 0 "[ . 1 . 2]" 1
529 1 36 ILE HA 1 37 VAL MG1 . . 4.140 3.079 3.032 3.276 . 0 0 "[ . 1 . 2]" 1
530 1 36 ILE HA 1 37 VAL MG2 . . 4.470 3.927 3.822 4.015 . 0 0 "[ . 1 . 2]" 1
531 1 36 ILE HA 1 44 ILE MG . . 4.140 3.460 3.380 3.627 . 0 0 "[ . 1 . 2]" 1
532 1 36 ILE HA 1 45 TYR H . . 5.350 4.170 4.034 4.284 . 0 0 "[ . 1 . 2]" 1
533 1 36 ILE HA 1 46 VAL HA . . 3.660 2.439 2.197 2.584 . 0 0 "[ . 1 . 2]" 1
534 1 36 ILE HA 1 46 VAL MG1 . . 4.730 4.224 3.991 4.339 . 0 0 "[ . 1 . 2]" 1
535 1 36 ILE HA 1 46 VAL MG2 . . 5.150 3.995 3.821 4.311 . 0 0 "[ . 1 . 2]" 1
536 1 36 ILE HA 1 47 SER H . . 3.510 2.535 2.487 2.584 . 0 0 "[ . 1 . 2]" 1
537 1 36 ILE HA 1 47 SER HB2 . . 4.580 4.342 4.069 4.703 0.123 11 0 "[ . 1 . 2]" 1
538 1 36 ILE HA 1 48 LYS H . . 4.870 4.462 4.333 4.561 . 0 0 "[ . 1 . 2]" 1
539 1 36 ILE HB 1 36 ILE MD . . 2.840 2.158 2.014 2.206 . 0 0 "[ . 1 . 2]" 1
540 1 36 ILE HB 1 37 VAL H . . 3.540 2.749 2.569 2.952 . 0 0 "[ . 1 . 2]" 1
541 1 36 ILE HB 1 37 VAL HA . . 4.900 4.511 4.399 4.590 . 0 0 "[ . 1 . 2]" 1
542 1 36 ILE HB 1 44 ILE MG . . 3.230 1.889 1.831 1.959 . 0 0 "[ . 1 . 2]" 1
543 1 36 ILE HB 1 45 TYR H . . 4.580 3.749 3.460 3.898 . 0 0 "[ . 1 . 2]" 1
544 1 36 ILE HB 1 47 SER H . . 4.900 4.918 4.892 4.938 0.038 14 0 "[ . 1 . 2]" 1
545 1 36 ILE MD 1 37 VAL H . . 4.080 3.191 2.933 3.476 . 0 0 "[ . 1 . 2]" 1
546 1 36 ILE MD 1 37 VAL HA . . 4.080 2.979 2.820 3.148 . 0 0 "[ . 1 . 2]" 1
547 1 36 ILE MD 1 38 SER H . . 4.960 4.152 4.070 4.259 . 0 0 "[ . 1 . 2]" 1
548 1 36 ILE MD 1 38 SER HB2 . . 4.580 4.130 4.038 4.250 . 0 0 "[ . 1 . 2]" 1
549 1 36 ILE MD 1 38 SER HB3 . . 5.150 5.132 4.660 5.191 0.041 17 0 "[ . 1 . 2]" 1
550 1 36 ILE MD 1 45 TYR H . . 4.900 4.297 4.047 4.456 . 0 0 "[ . 1 . 2]" 1
551 1 36 ILE MD 1 79 GLU HA . . 3.170 1.936 1.837 2.120 . 0 0 "[ . 1 . 2]" 1
552 1 36 ILE MD 1 79 GLU HB2 . . 4.280 2.678 2.476 2.916 . 0 0 "[ . 1 . 2]" 1
553 1 36 ILE MD 1 79 GLU HB3 . . 3.550 2.763 2.450 3.161 . 0 0 "[ . 1 . 2]" 1
554 1 36 ILE MD 1 82 ALA HA . . 4.470 4.246 4.022 4.420 . 0 0 "[ . 1 . 2]" 1
555 1 36 ILE MD 1 82 ALA MB . . 2.920 1.800 1.693 1.976 . 0 0 "[ . 1 . 2]" 1
556 1 36 ILE MD 1 83 ARG H . . 3.640 2.720 2.504 3.001 . 0 0 "[ . 1 . 2]" 1
557 1 36 ILE MD 1 83 ARG HD2 . . 4.730 3.446 2.471 4.753 0.023 4 0 "[ . 1 . 2]" 1
558 1 36 ILE MD 1 83 ARG HD3 . . 4.900 4.175 3.564 4.904 0.004 6 0 "[ . 1 . 2]" 1
559 1 36 ILE MD 1 83 ARG HG2 . . 3.780 3.372 3.066 3.564 . 0 0 "[ . 1 . 2]" 1
560 1 36 ILE MD 1 84 LEU H . . 5.150 5.049 4.824 5.171 0.021 8 0 "[ . 1 . 2]" 1
561 1 36 ILE HG12 1 36 ILE MG . . 3.370 2.141 2.007 2.239 . 0 0 "[ . 1 . 2]" 1
562 1 36 ILE HG12 1 37 VAL H . . 5.500 5.122 4.971 5.294 . 0 0 "[ . 1 . 2]" 1
563 1 36 ILE HG12 1 79 GLU HA . . 5.500 4.380 4.215 4.636 . 0 0 "[ . 1 . 2]" 1
564 1 36 ILE HG12 1 82 ALA HA . . 4.900 4.855 4.641 4.916 0.016 19 0 "[ . 1 . 2]" 1
565 1 36 ILE HG12 1 82 ALA MB . . 4.370 2.360 2.156 2.659 . 0 0 "[ . 1 . 2]" 1
566 1 36 ILE HG12 1 83 ARG HA . . 4.730 3.167 2.835 3.449 . 0 0 "[ . 1 . 2]" 1
567 1 36 ILE HG12 1 86 ILE MD . . 3.980 2.233 1.951 2.661 . 0 0 "[ . 1 . 2]" 1
568 1 36 ILE HG13 1 36 ILE MG . . 3.360 2.761 2.681 2.844 . 0 0 "[ . 1 . 2]" 1
569 1 36 ILE HG13 1 37 VAL H . . 4.730 4.543 4.397 4.733 0.003 11 0 "[ . 1 . 2]" 1
570 1 36 ILE HG13 1 44 ILE MG . . 4.370 3.991 3.882 4.132 . 0 0 "[ . 1 . 2]" 1
571 1 36 ILE HG13 1 83 ARG HA . . 4.900 3.923 3.556 4.185 . 0 0 "[ . 1 . 2]" 1
572 1 36 ILE MG 1 37 VAL H . . 3.890 3.837 3.707 3.903 0.013 1 0 "[ . 1 . 2]" 1
573 1 36 ILE MG 1 44 ILE HB . . 4.730 4.645 4.485 4.745 0.015 18 0 "[ . 1 . 2]" 1
574 1 36 ILE MG 1 45 TYR H . . 4.920 4.602 4.367 4.798 . 0 0 "[ . 1 . 2]" 1
575 1 36 ILE MG 1 46 VAL HA . . 3.550 2.535 2.052 2.861 . 0 0 "[ . 1 . 2]" 1
576 1 36 ILE MG 1 46 VAL MG2 . . 3.360 2.682 2.393 2.968 . 0 0 "[ . 1 . 2]" 1
577 1 36 ILE MG 1 47 SER H . . 4.210 3.500 3.332 3.697 . 0 0 "[ . 1 . 2]" 1
578 1 36 ILE MG 1 48 LYS H . . 5.080 4.549 4.350 4.693 . 0 0 "[ . 1 . 2]" 1
579 1 36 ILE MG 1 83 ARG HA . . 4.900 4.231 3.874 4.669 . 0 0 "[ . 1 . 2]" 1
580 1 37 VAL H 1 37 VAL MG1 . . 3.750 2.715 2.585 2.840 . 0 0 "[ . 1 . 2]" 1
581 1 37 VAL H 1 37 VAL MG2 . . 3.460 2.440 2.311 2.615 . 0 0 "[ . 1 . 2]" 1
582 1 37 VAL H 1 38 SER H . . 4.950 4.395 4.328 4.462 . 0 0 "[ . 1 . 2]" 1
583 1 37 VAL H 1 44 ILE HA . . 4.900 4.039 3.854 4.406 . 0 0 "[ . 1 . 2]" 1
584 1 37 VAL H 1 44 ILE MD . . 5.150 3.898 3.555 4.192 . 0 0 "[ . 1 . 2]" 1
585 1 37 VAL H 1 44 ILE MG . . 4.160 2.839 2.645 3.101 . 0 0 "[ . 1 . 2]" 1
586 1 37 VAL H 1 45 TYR H . . 3.860 2.435 2.255 2.578 . 0 0 "[ . 1 . 2]" 1
587 1 37 VAL H 1 45 TYR HB2 . . 4.580 3.547 3.393 3.662 . 0 0 "[ . 1 . 2]" 1
588 1 37 VAL H 1 46 VAL HA . . 4.930 4.065 3.846 4.254 . 0 0 "[ . 1 . 2]" 1
589 1 37 VAL H 1 47 SER H . . 4.360 4.287 4.123 4.384 0.024 13 0 "[ . 1 . 2]" 1
590 1 37 VAL H 1 47 SER HB2 . . 4.900 4.560 4.240 4.766 . 0 0 "[ . 1 . 2]" 1
591 1 37 VAL H 1 47 SER HB3 . . 5.150 4.143 3.491 4.548 . 0 0 "[ . 1 . 2]" 1
592 1 37 VAL HA 1 37 VAL MG1 . . 3.020 2.501 2.450 2.525 . 0 0 "[ . 1 . 2]" 1
593 1 37 VAL HA 1 37 VAL MG2 . . 3.450 3.199 3.189 3.205 . 0 0 "[ . 1 . 2]" 1
594 1 37 VAL HA 1 38 SER H . . 3.000 2.332 2.317 2.391 . 0 0 "[ . 1 . 2]" 1
595 1 37 VAL HA 1 38 SER HA . . 4.900 4.312 4.304 4.336 . 0 0 "[ . 1 . 2]" 1
596 1 37 VAL HA 1 79 GLU HA . . 5.500 4.554 4.300 4.845 . 0 0 "[ . 1 . 2]" 1
597 1 37 VAL HA 1 79 GLU HB3 . . 4.140 3.050 2.738 3.357 . 0 0 "[ . 1 . 2]" 1
598 1 37 VAL HB 1 38 SER H . . 3.370 2.879 2.702 2.922 . 0 0 "[ . 1 . 2]" 1
599 1 37 VAL HB 1 38 SER HA . . 4.900 4.918 4.777 4.971 0.071 9 0 "[ . 1 . 2]" 1
600 1 37 VAL HB 1 47 SER HB2 . . 4.280 4.360 4.298 4.605 0.325 11 0 "[ . 1 . 2]" 1
601 1 37 VAL MG1 1 38 SER H . . 4.280 4.075 3.954 4.120 . 0 0 "[ . 1 . 2]" 1
602 1 37 VAL MG1 1 45 TYR HB2 . . 4.280 4.276 4.078 4.322 0.042 13 0 "[ . 1 . 2]" 1
603 1 37 VAL MG1 1 47 SER H . . 4.870 3.403 3.223 3.675 . 0 0 "[ . 1 . 2]" 1
604 1 37 VAL MG1 1 47 SER HA . . 4.080 3.339 3.018 3.529 . 0 0 "[ . 1 . 2]" 1
605 1 37 VAL MG1 1 47 SER HB2 . . 3.120 1.771 1.753 1.905 . 0 0 "[ . 1 . 2]" 1
606 1 37 VAL MG1 1 47 SER HB3 . . 3.330 2.013 1.744 2.331 . 0 0 "[ . 1 . 2]" 1
607 1 37 VAL MG2 1 38 SER H . . 3.410 3.418 3.348 3.441 0.031 17 0 "[ . 1 . 2]" 1
608 1 37 VAL MG2 1 38 SER HA . . 4.580 3.779 3.676 3.877 . 0 0 "[ . 1 . 2]" 1
609 1 37 VAL MG2 1 38 SER HB2 . . 5.450 5.294 5.236 5.325 . 0 0 "[ . 1 . 2]" 1
610 1 37 VAL MG2 1 38 SER HB3 . . 5.310 5.181 5.121 5.273 . 0 0 "[ . 1 . 2]" 1
611 1 37 VAL MG2 1 45 TYR H . . 4.280 2.970 2.740 3.151 . 0 0 "[ . 1 . 2]" 1
612 1 37 VAL MG2 1 45 TYR HB2 . . 3.750 2.162 2.055 2.309 . 0 0 "[ . 1 . 2]" 1
613 1 37 VAL MG2 1 45 TYR HB3 . . 4.140 3.428 3.265 3.601 . 0 0 "[ . 1 . 2]" 1
614 1 37 VAL MG2 1 45 TYR QD . . 4.210 3.032 2.707 3.312 . 0 0 "[ . 1 . 2]" 1
615 1 37 VAL MG2 1 47 SER H . . 4.730 4.507 4.242 4.735 0.005 13 0 "[ . 1 . 2]" 1
616 1 37 VAL MG2 1 47 SER HB2 . . 3.690 3.255 3.046 3.717 0.027 11 0 "[ . 1 . 2]" 1
617 1 37 VAL MG2 1 47 SER HB3 . . 4.080 3.943 3.568 4.058 . 0 0 "[ . 1 . 2]" 1
618 1 38 SER H 1 38 SER HB2 . . 3.590 2.885 2.826 3.249 . 0 0 "[ . 1 . 2]" 1
619 1 38 SER H 1 38 SER HB3 . . 3.570 2.439 2.359 2.488 . 0 0 "[ . 1 . 2]" 1
620 1 38 SER H 1 39 GLY H . . 5.030 4.562 4.521 4.580 . 0 0 "[ . 1 . 2]" 1
621 1 38 SER H 1 44 ILE MD . . 3.980 3.921 3.745 3.991 0.011 8 0 "[ . 1 . 2]" 1
622 1 38 SER H 1 79 GLU HB2 . . 4.730 4.144 3.772 4.448 . 0 0 "[ . 1 . 2]" 1
623 1 38 SER H 1 79 GLU HB3 . . 4.110 2.738 2.452 2.955 . 0 0 "[ . 1 . 2]" 1
624 1 38 SER H 1 79 GLU HG2 . . 4.900 3.848 3.432 4.276 . 0 0 "[ . 1 . 2]" 1
625 1 38 SER HA 1 39 GLY H . . 3.030 2.348 2.337 2.367 . 0 0 "[ . 1 . 2]" 1
626 1 38 SER HA 1 39 GLY HA2 . . 4.900 4.414 4.386 4.458 . 0 0 "[ . 1 . 2]" 1
627 1 38 SER HA 1 39 GLY HA3 . . 4.900 4.392 4.361 4.421 . 0 0 "[ . 1 . 2]" 1
628 1 38 SER HA 1 44 ILE HA . . 3.590 2.813 2.575 3.006 . 0 0 "[ . 1 . 2]" 1
629 1 38 SER HA 1 44 ILE MD . . 3.550 2.448 2.090 2.632 . 0 0 "[ . 1 . 2]" 1
630 1 38 SER HA 1 44 ILE MG . . 4.470 4.069 3.749 4.477 0.007 9 0 "[ . 1 . 2]" 1
631 1 38 SER HA 1 45 TYR H . . 4.140 3.843 3.722 3.927 . 0 0 "[ . 1 . 2]" 1
632 1 38 SER HA 1 45 TYR QD . . 4.030 3.544 3.381 3.734 . 0 0 "[ . 1 . 2]" 1
633 1 38 SER HA 1 78 THR HA . . 5.500 5.127 4.665 5.506 0.006 12 0 "[ . 1 . 2]" 1
634 1 38 SER HA 1 79 GLU HA . . 5.500 4.868 4.655 5.102 . 0 0 "[ . 1 . 2]" 1
635 1 38 SER HA 1 79 GLU HB3 . . 4.900 4.024 3.699 4.208 . 0 0 "[ . 1 . 2]" 1
636 1 38 SER HB2 1 39 GLY H . . 4.030 4.036 3.812 4.085 0.055 9 0 "[ . 1 . 2]" 1
637 1 38 SER HB2 1 44 ILE MD . . 3.690 2.521 2.188 2.664 . 0 0 "[ . 1 . 2]" 1
638 1 38 SER HB2 1 79 GLU H . . 4.730 2.504 2.024 2.845 . 0 0 "[ . 1 . 2]" 1
639 1 38 SER HB2 1 79 GLU HB2 . . 4.280 4.107 3.720 4.488 0.208 18 0 "[ . 1 . 2]" 1
640 1 38 SER HB2 1 79 GLU HB3 . . 3.980 2.475 2.000 2.857 . 0 0 "[ . 1 . 2]" 1
641 1 38 SER HB2 1 79 GLU HG2 . . 4.210 2.582 2.214 3.016 . 0 0 "[ . 1 . 2]" 1
642 1 38 SER HB3 1 39 GLY H . . 3.940 4.000 3.949 4.173 0.233 18 0 "[ . 1 . 2]" 1
643 1 38 SER HB3 1 44 ILE MD . . 4.030 3.903 3.551 4.046 0.016 7 0 "[ . 1 . 2]" 1
644 1 38 SER HB3 1 79 GLU H . . 4.730 3.555 3.015 3.892 . 0 0 "[ . 1 . 2]" 1
645 1 38 SER HB3 1 79 GLU HB3 . . 4.030 3.138 2.635 3.465 . 0 0 "[ . 1 . 2]" 1
646 1 38 SER HB3 1 79 GLU HG2 . . 4.370 2.605 2.133 2.772 . 0 0 "[ . 1 . 2]" 1
647 1 38 SER HB3 1 79 GLU HG3 . . 4.370 4.330 3.848 4.395 0.025 15 0 "[ . 1 . 2]" 1
648 1 39 GLY H 1 44 ILE HA . . 4.730 4.148 3.842 4.384 . 0 0 "[ . 1 . 2]" 1
649 1 39 GLY H 1 44 ILE MD . . 4.370 4.073 3.703 4.296 . 0 0 "[ . 1 . 2]" 1
650 1 39 GLY H 1 45 TYR H . . 5.250 5.291 5.266 5.312 0.062 13 0 "[ . 1 . 2]" 1
651 1 39 GLY H 1 45 TYR QD . . 3.760 3.740 3.697 3.764 0.004 20 0 "[ . 1 . 2]" 1
652 1 39 GLY H 1 45 TYR QE . . 4.210 3.397 2.837 3.725 . 0 0 "[ . 1 . 2]" 1
653 1 39 GLY HA2 1 42 GLY H . . 4.900 4.710 4.428 4.926 0.026 5 0 "[ . 1 . 2]" 1
654 1 39 GLY HA2 1 45 TYR QD . . 4.900 4.772 4.401 4.910 0.010 6 0 "[ . 1 . 2]" 1
655 1 39 GLY HA3 1 42 GLY H . . 4.500 3.516 2.995 4.195 . 0 0 "[ . 1 . 2]" 1
656 1 39 GLY HA3 1 45 TYR QD . . 4.730 4.157 3.882 4.424 . 0 0 "[ . 1 . 2]" 1
657 1 39 GLY HA3 1 45 TYR QE . . 3.690 3.092 2.595 3.517 . 0 0 "[ . 1 . 2]" 1
658 1 40 GLU H 1 40 GLU HG2 . . 5.150 3.935 1.972 5.182 0.032 2 0 "[ . 1 . 2]" 1
659 1 40 GLU H 1 40 GLU HG3 . . 5.500 3.751 2.379 4.560 . 0 0 "[ . 1 . 2]" 1
660 1 40 GLU HA 1 40 GLU HG2 . . 3.850 2.784 2.004 3.790 . 0 0 "[ . 1 . 2]" 1
661 1 40 GLU HA 1 40 GLU HG3 . . 3.750 2.834 2.000 3.707 . 0 0 "[ . 1 . 2]" 1
662 1 40 GLU HA 1 41 LYS HA . . 4.900 4.527 4.289 4.868 . 0 0 "[ . 1 . 2]" 1
663 1 40 GLU HA 1 42 GLY H . . 4.730 4.467 4.030 4.732 0.002 1 0 "[ . 1 . 2]" 1
664 1 40 GLU HB2 1 41 LYS H . . 5.150 4.024 2.193 4.746 . 0 0 "[ . 1 . 2]" 1
665 1 40 GLU HB3 1 41 LYS H . . 5.500 3.712 2.130 4.724 . 0 0 "[ . 1 . 2]" 1
666 1 41 LYS H 1 41 LYS HG3 . . 5.500 4.308 2.612 5.252 . 0 0 "[ . 1 . 2]" 1
667 1 41 LYS H 1 42 GLY H . . 4.260 2.554 1.899 3.244 . 0 0 "[ . 1 . 2]" 1
668 1 41 LYS HA 1 41 LYS HD2 . . 4.280 3.748 2.181 4.452 0.172 13 0 "[ . 1 . 2]" 1
669 1 41 LYS HA 1 41 LYS HD3 . . 4.470 3.794 2.594 4.464 . 0 0 "[ . 1 . 2]" 1
670 1 41 LYS HA 1 41 LYS HG2 . . 3.450 2.650 1.995 3.717 0.267 9 0 "[ . 1 . 2]" 1
671 1 41 LYS HA 1 41 LYS HG3 . . 3.750 2.774 2.000 3.450 . 0 0 "[ . 1 . 2]" 1
672 1 41 LYS HB2 1 41 LYS HE2 . . 5.150 4.235 2.945 5.069 . 0 0 "[ . 1 . 2]" 1
673 1 41 LYS HB2 1 42 GLY H . . 4.860 3.978 3.171 4.691 . 0 0 "[ . 1 . 2]" 1
674 1 41 LYS HB3 1 41 LYS HD2 . . 4.030 2.949 2.039 4.150 0.120 18 0 "[ . 1 . 2]" 1
675 1 41 LYS HB3 1 41 LYS HD3 . . 3.940 3.160 2.495 3.849 . 0 0 "[ . 1 . 2]" 1
676 1 41 LYS HB3 1 41 LYS HE2 . . 4.900 4.248 3.033 5.475 0.575 16 1 "[ . 1 .+ 2]" 1
677 1 41 LYS HB3 1 42 GLY H . . 5.110 3.473 2.653 4.521 . 0 0 "[ . 1 . 2]" 1
678 1 41 LYS HE3 1 41 LYS HG2 . . 4.140 3.331 2.156 4.080 . 0 0 "[ . 1 . 2]" 1
679 1 41 LYS HG2 1 42 GLY H . . 5.280 4.918 3.956 5.837 0.557 15 2 "[ . 1 + -2]" 1
680 1 42 GLY H 1 43 GLY H . . 4.210 3.828 1.900 4.222 0.012 4 0 "[ . 1 . 2]" 1
681 1 42 GLY HA2 1 43 GLY H . . 3.330 2.835 2.229 3.372 0.042 11 0 "[ . 1 . 2]" 1
682 1 42 GLY HA3 1 43 GLY H . . 3.330 2.664 2.199 3.355 0.025 3 0 "[ . 1 . 2]" 1
683 1 43 GLY H 1 44 ILE H . . 4.550 4.266 4.087 4.598 0.048 5 0 "[ . 1 . 2]" 1
684 1 43 GLY H 1 44 ILE MD . . 5.500 4.892 3.932 5.537 0.037 11 0 "[ . 1 . 2]" 1
685 1 43 GLY H 1 45 TYR QE . . 5.320 3.955 2.000 5.326 0.006 17 0 "[ . 1 . 2]" 1
686 1 43 GLY HA2 1 44 ILE H . . 3.640 2.650 2.300 3.026 . 0 0 "[ . 1 . 2]" 1
687 1 43 GLY HA2 1 65 GLN HE22 . . 4.730 4.688 4.006 5.505 0.775 20 3 "[- * 1 . +]" 1
688 1 43 GLY HA3 1 44 ILE HG12 . . 5.150 4.354 4.007 4.749 . 0 0 "[ . 1 . 2]" 1
689 1 43 GLY HA3 1 65 GLN HE21 . . 5.500 3.194 2.251 4.354 . 0 0 "[ . 1 . 2]" 1
690 1 43 GLY HA3 1 65 GLN HE22 . . 5.500 3.887 3.157 5.288 . 0 0 "[ . 1 . 2]" 1
691 1 44 ILE H 1 44 ILE HB . . 3.780 2.561 2.428 2.717 . 0 0 "[ . 1 . 2]" 1
692 1 44 ILE H 1 44 ILE MD . . 4.780 3.924 3.690 4.081 . 0 0 "[ . 1 . 2]" 1
693 1 44 ILE H 1 44 ILE HG12 . . 4.310 2.845 2.460 3.158 . 0 0 "[ . 1 . 2]" 1
694 1 44 ILE H 1 44 ILE HG13 . . 4.730 4.024 3.692 4.318 . 0 0 "[ . 1 . 2]" 1
695 1 44 ILE H 1 44 ILE MG . . 4.370 3.793 3.733 3.835 . 0 0 "[ . 1 . 2]" 1
696 1 44 ILE H 1 45 TYR H . . 5.500 4.438 4.315 4.546 . 0 0 "[ . 1 . 2]" 1
697 1 44 ILE H 1 45 TYR QD . . 4.920 4.487 4.168 4.831 . 0 0 "[ . 1 . 2]" 1
698 1 44 ILE H 1 65 GLN HE22 . . 4.820 4.643 3.986 5.240 0.420 16 0 "[ . 1 . 2]" 1
699 1 44 ILE H 1 65 GLN HG2 . . 4.680 3.398 2.998 3.674 . 0 0 "[ . 1 . 2]" 1
700 1 44 ILE HA 1 44 ILE MD . . 3.100 2.009 1.963 2.100 . 0 0 "[ . 1 . 2]" 1
701 1 44 ILE HA 1 44 ILE MG . . 3.490 2.452 2.375 2.508 . 0 0 "[ . 1 . 2]" 1
702 1 44 ILE HA 1 45 TYR H . . 3.130 2.240 2.212 2.284 . 0 0 "[ . 1 . 2]" 1
703 1 44 ILE HA 1 45 TYR HA . . 5.500 4.397 4.379 4.428 . 0 0 "[ . 1 . 2]" 1
704 1 44 ILE HA 1 45 TYR HB2 . . 5.500 4.406 4.321 4.527 . 0 0 "[ . 1 . 2]" 1
705 1 44 ILE HA 1 45 TYR QD . . 4.280 3.011 2.782 3.283 . 0 0 "[ . 1 . 2]" 1
706 1 44 ILE HA 1 45 TYR QE . . 4.580 4.317 3.954 4.589 0.009 12 0 "[ . 1 . 2]" 1
707 1 44 ILE HB 1 45 TYR H . . 5.310 4.162 4.039 4.308 . 0 0 "[ . 1 . 2]" 1
708 1 44 ILE HB 1 66 LEU H . . 4.080 3.883 3.650 4.075 . 0 0 "[ . 1 . 2]" 1
709 1 44 ILE HB 1 66 LEU HB2 . . 4.730 2.933 2.165 3.375 . 0 0 "[ . 1 . 2]" 1
710 1 44 ILE HB 1 66 LEU HB3 . . 5.150 4.589 3.561 5.104 . 0 0 "[ . 1 . 2]" 1
711 1 44 ILE HB 1 66 LEU MD1 . . 3.890 3.249 2.739 3.724 . 0 0 "[ . 1 . 2]" 1
712 1 44 ILE HB 1 74 LEU HB3 . . 4.900 3.067 2.569 3.934 . 0 0 "[ . 1 . 2]" 1
713 1 44 ILE HB 1 82 ALA MB . . 4.140 3.609 3.180 3.798 . 0 0 "[ . 1 . 2]" 1
714 1 44 ILE MD 1 44 ILE MG . . 2.860 1.917 1.864 2.051 . 0 0 "[ . 1 . 2]" 1
715 1 44 ILE MD 1 45 TYR H . . 3.980 3.383 3.155 3.502 . 0 0 "[ . 1 . 2]" 1
716 1 44 ILE MD 1 77 ALA H . . 5.350 4.621 4.155 5.356 0.006 13 0 "[ . 1 . 2]" 1
717 1 44 ILE MD 1 77 ALA HA . . 5.150 5.121 4.899 5.167 0.017 15 0 "[ . 1 . 2]" 1
718 1 44 ILE MD 1 77 ALA MB . . 3.660 3.566 3.390 3.682 0.022 8 0 "[ . 1 . 2]" 1
719 1 44 ILE MD 1 78 THR H . . 5.440 4.125 3.540 4.459 . 0 0 "[ . 1 . 2]" 1
720 1 44 ILE MD 1 78 THR HA . . 4.280 2.714 2.198 3.166 . 0 0 "[ . 1 . 2]" 1
721 1 44 ILE MD 1 78 THR MG . . 4.900 4.356 4.026 4.645 . 0 0 "[ . 1 . 2]" 1
722 1 44 ILE MD 1 79 GLU H . . 4.470 3.053 2.750 3.443 . 0 0 "[ . 1 . 2]" 1
723 1 44 ILE MD 1 79 GLU HA . . 3.180 2.083 1.942 2.480 . 0 0 "[ . 1 . 2]" 1
724 1 44 ILE MD 1 79 GLU HB2 . . 4.470 4.136 4.011 4.368 . 0 0 "[ . 1 . 2]" 1
725 1 44 ILE MD 1 79 GLU HB3 . . 3.510 3.183 3.055 3.353 . 0 0 "[ . 1 . 2]" 1
726 1 44 ILE MD 1 79 GLU HG2 . . 4.280 4.111 3.906 4.278 . 0 0 "[ . 1 . 2]" 1
727 1 44 ILE MD 1 82 ALA H . . 4.480 3.604 3.412 3.865 . 0 0 "[ . 1 . 2]" 1
728 1 44 ILE MD 1 82 ALA HA . . 4.730 4.691 4.471 4.746 0.016 7 0 "[ . 1 . 2]" 1
729 1 44 ILE MD 1 82 ALA MB . . 3.020 2.225 1.988 2.494 . 0 0 "[ . 1 . 2]" 1
730 1 44 ILE HG12 1 77 ALA H . . 5.180 3.919 3.157 4.893 . 0 0 "[ . 1 . 2]" 1
731 1 44 ILE HG12 1 77 ALA MB . . 3.890 3.287 2.791 3.833 . 0 0 "[ . 1 . 2]" 1
732 1 44 ILE HG13 1 44 ILE MG . . 3.610 2.531 2.401 2.572 . 0 0 "[ . 1 . 2]" 1
733 1 44 ILE HG13 1 74 LEU HB3 . . 4.580 3.617 3.046 4.370 . 0 0 "[ . 1 . 2]" 1
734 1 44 ILE HG13 1 77 ALA MB . . 3.780 2.781 2.427 3.359 . 0 0 "[ . 1 . 2]" 1
735 1 44 ILE HG13 1 79 GLU HA . . 5.150 4.286 4.152 4.566 . 0 0 "[ . 1 . 2]" 1
736 1 44 ILE HG13 1 82 ALA MB . . 3.530 2.310 2.008 2.506 . 0 0 "[ . 1 . 2]" 1
737 1 44 ILE MG 1 45 TYR H . . 3.720 2.292 2.118 2.468 . 0 0 "[ . 1 . 2]" 1
738 1 44 ILE MG 1 45 TYR HA . . 4.470 3.573 3.448 3.666 . 0 0 "[ . 1 . 2]" 1
739 1 44 ILE MG 1 45 TYR HB2 . . 5.150 4.423 4.324 4.544 . 0 0 "[ . 1 . 2]" 1
740 1 44 ILE MG 1 45 TYR HB3 . . 5.090 5.121 5.095 5.141 0.051 17 0 "[ . 1 . 2]" 1
741 1 44 ILE MG 1 45 TYR QD . . 4.900 4.280 4.021 4.459 . 0 0 "[ . 1 . 2]" 1
742 1 44 ILE MG 1 46 VAL H . . 4.680 4.450 4.229 4.643 . 0 0 "[ . 1 . 2]" 1
743 1 44 ILE MG 1 65 GLN HA . . 5.500 5.052 4.797 5.464 . 0 0 "[ . 1 . 2]" 1
744 1 44 ILE MG 1 66 LEU H . . 4.730 3.988 3.664 4.251 . 0 0 "[ . 1 . 2]" 1
745 1 44 ILE MG 1 66 LEU HB2 . . 3.890 3.304 2.548 3.822 . 0 0 "[ . 1 . 2]" 1
746 1 44 ILE MG 1 66 LEU HG . . 4.030 3.604 3.220 3.943 . 0 0 "[ . 1 . 2]" 1
747 1 44 ILE MG 1 79 GLU HA . . 4.730 3.414 3.213 3.741 . 0 0 "[ . 1 . 2]" 1
748 1 44 ILE MG 1 82 ALA HA . . 5.500 4.504 4.266 4.680 . 0 0 "[ . 1 . 2]" 1
749 1 44 ILE MG 1 82 ALA MB . . 3.330 2.272 1.995 2.420 . 0 0 "[ . 1 . 2]" 1
750 1 45 TYR H 1 45 TYR HB2 . . 3.940 2.523 2.419 2.650 . 0 0 "[ . 1 . 2]" 1
751 1 45 TYR H 1 45 TYR QD . . 3.880 2.577 2.291 2.832 . 0 0 "[ . 1 . 2]" 1
752 1 45 TYR HA 1 45 TYR QD . . 3.980 3.119 3.010 3.220 . 0 0 "[ . 1 . 2]" 1
753 1 45 TYR HA 1 45 TYR QE . . 5.150 4.846 4.775 4.938 . 0 0 "[ . 1 . 2]" 1
754 1 45 TYR HA 1 46 VAL H . . 3.330 2.251 2.213 2.325 . 0 0 "[ . 1 . 2]" 1
755 1 45 TYR HA 1 46 VAL HB . . 5.150 4.543 4.445 4.607 . 0 0 "[ . 1 . 2]" 1
756 1 45 TYR HA 1 46 VAL MG2 . . 4.140 3.746 3.520 3.930 . 0 0 "[ . 1 . 2]" 1
757 1 45 TYR HA 1 65 GLN HA . . 3.420 2.591 2.315 2.890 . 0 0 "[ . 1 . 2]" 1
758 1 45 TYR HA 1 65 GLN HG2 . . 5.150 3.954 3.397 4.391 . 0 0 "[ . 1 . 2]" 1
759 1 45 TYR HA 1 65 GLN HG3 . . 5.500 4.047 3.516 4.877 . 0 0 "[ . 1 . 2]" 1
760 1 45 TYR HA 1 66 LEU H . . 4.140 3.281 2.870 3.720 . 0 0 "[ . 1 . 2]" 1
761 1 45 TYR HA 1 66 LEU HG . . 4.900 3.723 3.068 4.014 . 0 0 "[ . 1 . 2]" 1
762 1 45 TYR HB2 1 103 VAL QG . . 4.730 4.277 3.970 4.522 . 0 0 "[ . 1 . 2]" 1
763 1 45 TYR HB3 1 46 VAL H . . 4.120 3.182 2.917 3.349 . 0 0 "[ . 1 . 2]" 1
764 1 45 TYR HB3 1 103 VAL QG . . 4.730 3.444 3.121 3.740 . 0 0 "[ . 1 . 2]" 1
765 1 45 TYR QD 1 46 VAL H . . 4.780 4.304 4.080 4.588 . 0 0 "[ . 1 . 2]" 1
766 1 45 TYR QD 1 65 GLN H . . 5.040 4.326 3.759 5.037 . 0 0 "[ . 1 . 2]" 1
767 1 45 TYR QD 1 65 GLN HA . . 4.080 3.418 3.111 3.727 . 0 0 "[ . 1 . 2]" 1
768 1 45 TYR QD 1 65 GLN HB2 . . 4.210 3.296 2.819 3.645 . 0 0 "[ . 1 . 2]" 1
769 1 45 TYR QD 1 65 GLN HB3 . . 5.500 4.852 4.484 5.152 . 0 0 "[ . 1 . 2]" 1
770 1 45 TYR QD 1 65 GLN HG3 . . 4.470 3.146 2.592 3.780 . 0 0 "[ . 1 . 2]" 1
771 1 45 TYR QD 1 66 LEU H . . 5.390 5.051 4.572 5.382 . 0 0 "[ . 1 . 2]" 1
772 1 45 TYR QD 1 103 VAL QG . . 4.730 2.672 2.217 3.179 . 0 0 "[ . 1 . 2]" 1
773 1 45 TYR QE 1 65 GLN HB2 . . 4.210 3.184 2.798 3.516 . 0 0 "[ . 1 . 2]" 1
774 1 45 TYR QE 1 65 GLN HB3 . . 4.730 4.548 4.194 4.733 0.003 4 0 "[ . 1 . 2]" 1
775 1 45 TYR QE 1 100 ASN QB . . 4.210 3.899 3.662 4.038 . 0 0 "[ . 1 . 2]" 1
776 1 45 TYR QE 1 100 ASN HD21 . . 4.730 3.931 2.663 4.736 0.006 15 0 "[ . 1 . 2]" 1
777 1 45 TYR QE 1 103 VAL QG . . 4.470 2.864 2.024 3.641 . 0 0 "[ . 1 . 2]" 1
778 1 46 VAL H 1 46 VAL HB . . 3.550 2.310 2.238 2.387 . 0 0 "[ . 1 . 2]" 1
779 1 46 VAL H 1 46 VAL MG1 . . 4.140 3.682 3.656 3.699 . 0 0 "[ . 1 . 2]" 1
780 1 46 VAL H 1 46 VAL MG2 . . 3.180 2.346 2.065 2.498 . 0 0 "[ . 1 . 2]" 1
781 1 46 VAL H 1 47 SER H . . 4.490 4.577 4.519 4.621 0.131 5 0 "[ . 1 . 2]" 1
782 1 46 VAL H 1 63 GLY H . . 5.290 3.383 3.101 3.747 . 0 0 "[ . 1 . 2]" 1
783 1 46 VAL H 1 64 ASP H . . 4.830 3.874 3.487 4.387 . 0 0 "[ . 1 . 2]" 1
784 1 46 VAL H 1 65 GLN HA . . 4.590 3.723 3.384 4.081 . 0 0 "[ . 1 . 2]" 1
785 1 46 VAL H 1 66 LEU HG . . 5.350 3.825 3.182 4.140 . 0 0 "[ . 1 . 2]" 1
786 1 46 VAL HA 1 46 VAL MG1 . . 3.430 2.509 2.464 2.557 . 0 0 "[ . 1 . 2]" 1
787 1 46 VAL HA 1 46 VAL MG2 . . 3.360 2.239 2.150 2.414 . 0 0 "[ . 1 . 2]" 1
788 1 46 VAL HA 1 47 SER H . . 3.130 2.202 2.186 2.228 . 0 0 "[ . 1 . 2]" 1
789 1 46 VAL HA 1 48 LYS H . . 4.140 3.558 3.419 3.633 . 0 0 "[ . 1 . 2]" 1
790 1 46 VAL HB 1 47 SER H . . 5.500 4.330 4.220 4.403 . 0 0 "[ . 1 . 2]" 1
791 1 46 VAL HB 1 62 TYR HA . . 4.030 2.148 1.993 2.532 . 0 0 "[ . 1 . 2]" 1
792 1 46 VAL HB 1 63 GLY H . . 4.210 2.616 2.402 2.934 . 0 0 "[ . 1 . 2]" 1
793 1 46 VAL HB 1 63 GLY HA3 . . 5.500 5.086 4.789 5.341 . 0 0 "[ . 1 . 2]" 1
794 1 46 VAL HB 1 64 ASP H . . 3.780 2.900 2.597 3.282 . 0 0 "[ . 1 . 2]" 1
795 1 46 VAL HB 1 64 ASP HB2 . . 4.280 3.609 3.238 3.850 . 0 0 "[ . 1 . 2]" 1
796 1 46 VAL HB 1 64 ASP HB3 . . 4.730 4.435 4.145 4.690 . 0 0 "[ . 1 . 2]" 1
797 1 46 VAL MG1 1 47 SER H . . 3.750 2.754 2.584 2.910 . 0 0 "[ . 1 . 2]" 1
798 1 46 VAL MG1 1 47 SER HA . . 4.580 3.768 3.691 3.896 . 0 0 "[ . 1 . 2]" 1
799 1 46 VAL MG1 1 48 LYS H . . 3.390 2.186 1.968 2.325 . 0 0 "[ . 1 . 2]" 1
800 1 46 VAL MG1 1 48 LYS HA . . 4.370 3.221 3.105 3.417 . 0 0 "[ . 1 . 2]" 1
801 1 46 VAL MG1 1 61 GLU HA . . 4.280 3.795 3.499 4.127 . 0 0 "[ . 1 . 2]" 1
802 1 46 VAL MG1 1 62 TYR H . . 4.280 3.662 3.322 4.120 . 0 0 "[ . 1 . 2]" 1
803 1 46 VAL MG1 1 62 TYR HA . . 3.470 2.048 1.887 2.428 . 0 0 "[ . 1 . 2]" 1
804 1 46 VAL MG1 1 62 TYR HB2 . . 4.730 3.061 2.661 3.633 . 0 0 "[ . 1 . 2]" 1
805 1 46 VAL MG1 1 62 TYR QD . . 4.730 3.159 2.810 3.555 . 0 0 "[ . 1 . 2]" 1
806 1 46 VAL MG1 1 63 GLY H . . 4.080 3.516 3.263 3.746 . 0 0 "[ . 1 . 2]" 1
807 1 46 VAL MG1 1 64 ASP H . . 4.210 4.039 3.849 4.257 0.047 17 0 "[ . 1 . 2]" 1
808 1 46 VAL MG1 1 64 ASP HB2 . . 4.280 4.143 3.844 4.302 0.022 18 0 "[ . 1 . 2]" 1
809 1 46 VAL MG2 1 47 SER H . . 4.080 3.981 3.899 4.083 0.003 12 0 "[ . 1 . 2]" 1
810 1 46 VAL MG2 1 48 LYS H . . 4.900 4.404 4.301 4.472 . 0 0 "[ . 1 . 2]" 1
811 1 46 VAL MG2 1 60 LEU HB3 . . 4.370 3.623 3.407 3.930 . 0 0 "[ . 1 . 2]" 1
812 1 46 VAL MG2 1 61 GLU H . . 4.730 3.902 3.605 4.518 . 0 0 "[ . 1 . 2]" 1
813 1 46 VAL MG2 1 63 GLY H . . 5.500 4.158 3.961 4.431 . 0 0 "[ . 1 . 2]" 1
814 1 46 VAL MG2 1 64 ASP H . . 3.980 3.513 3.141 3.789 . 0 0 "[ . 1 . 2]" 1
815 1 46 VAL MG2 1 64 ASP HB2 . . 3.530 3.132 2.427 3.381 . 0 0 "[ . 1 . 2]" 1
816 1 46 VAL MG2 1 64 ASP HB3 . . 3.890 3.130 2.826 3.470 . 0 0 "[ . 1 . 2]" 1
817 1 46 VAL MG2 1 65 GLN HA . . 5.150 4.300 3.967 4.870 . 0 0 "[ . 1 . 2]" 1
818 1 46 VAL MG2 1 66 LEU MD1 . . 2.840 2.404 1.982 2.711 . 0 0 "[ . 1 . 2]" 1
819 1 46 VAL MG2 1 66 LEU HG . . 3.590 2.759 2.118 3.096 . 0 0 "[ . 1 . 2]" 1
820 1 47 SER H 1 47 SER HB2 . . 3.980 3.357 3.154 3.636 . 0 0 "[ . 1 . 2]" 1
821 1 47 SER H 1 48 LYS H . . 3.320 2.081 1.947 2.206 . 0 0 "[ . 1 . 2]" 1
822 1 47 SER HA 1 62 TYR HB2 . . 4.900 4.920 4.850 4.976 0.076 18 0 "[ . 1 . 2]" 1
823 1 47 SER HA 1 62 TYR QD . . 3.510 2.869 2.826 2.911 . 0 0 "[ . 1 . 2]" 1
824 1 47 SER HA 1 62 TYR QE . . 3.750 2.060 1.990 2.190 . 0 0 "[ . 1 . 2]" 1
825 1 47 SER HB2 1 48 LYS H . . 4.580 4.450 4.362 4.524 . 0 0 "[ . 1 . 2]" 1
826 1 47 SER HB2 1 62 TYR QD . . 5.150 4.873 4.660 4.959 . 0 0 "[ . 1 . 2]" 1
827 1 47 SER HB2 1 62 TYR QE . . 4.900 3.544 3.247 3.782 . 0 0 "[ . 1 . 2]" 1
828 1 47 SER HB3 1 48 LYS H . . 4.470 3.465 3.233 3.776 . 0 0 "[ . 1 . 2]" 1
829 1 47 SER HB3 1 62 TYR QD . . 5.150 5.163 5.123 5.181 0.031 20 0 "[ . 1 . 2]" 1
830 1 47 SER HB3 1 62 TYR QE . . 4.730 4.620 4.410 4.767 0.037 17 0 "[ . 1 . 2]" 1
831 1 48 LYS H 1 48 LYS HB2 . . 4.130 3.310 3.250 3.455 . 0 0 "[ . 1 . 2]" 1
832 1 48 LYS H 1 48 LYS HB3 . . 4.110 3.462 3.262 3.643 . 0 0 "[ . 1 . 2]" 1
833 1 48 LYS H 1 48 LYS HG2 . . 5.150 4.971 4.518 5.219 0.069 16 0 "[ . 1 . 2]" 1
834 1 48 LYS H 1 48 LYS HG3 . . 5.090 4.662 4.478 5.155 0.065 7 0 "[ . 1 . 2]" 1
835 1 48 LYS H 1 49 VAL H . . 4.720 4.319 4.273 4.335 . 0 0 "[ . 1 . 2]" 1
836 1 48 LYS H 1 49 VAL QG . . 4.580 4.291 3.910 4.451 . 0 0 "[ . 1 . 2]" 1
837 1 48 LYS HA 1 48 LYS HD2 . . 4.580 3.796 3.195 4.551 . 0 0 "[ . 1 . 2]" 1
838 1 48 LYS HA 1 48 LYS HG2 . . 4.030 2.979 1.994 3.483 . 0 0 "[ . 1 . 2]" 1
839 1 48 LYS HA 1 48 LYS HG3 . . 3.640 2.326 1.954 3.243 . 0 0 "[ . 1 . 2]" 1
840 1 48 LYS HA 1 49 VAL H . . 2.880 2.516 2.395 2.599 . 0 0 "[ . 1 . 2]" 1
841 1 48 LYS HA 1 49 VAL HB . . 4.900 4.364 4.008 5.066 0.166 14 0 "[ . 1 . 2]" 1
842 1 48 LYS HA 1 49 VAL QG . . 4.140 3.430 3.017 4.037 . 0 0 "[ . 1 . 2]" 1
843 1 48 LYS HA 1 62 TYR QD . . 4.900 2.758 2.603 2.894 . 0 0 "[ . 1 . 2]" 1
844 1 48 LYS HA 1 62 TYR QE . . 5.150 4.786 4.602 4.956 . 0 0 "[ . 1 . 2]" 1
845 1 48 LYS HB2 1 48 LYS HE3 . . 4.580 4.060 3.043 4.802 0.222 1 0 "[ . 1 . 2]" 1
846 1 48 LYS HB2 1 49 VAL H . . 4.470 4.022 3.948 4.158 . 0 0 "[ . 1 . 2]" 1
847 1 48 LYS HB2 1 62 TYR QE . . 4.730 4.741 4.692 4.759 0.029 18 0 "[ . 1 . 2]" 1
848 1 48 LYS HB3 1 48 LYS HE2 . . 5.150 4.282 2.861 5.152 0.002 2 0 "[ . 1 . 2]" 1
849 1 48 LYS HB3 1 49 VAL H . . 4.370 3.140 2.762 3.493 . 0 0 "[ . 1 . 2]" 1
850 1 48 LYS HD2 1 48 LYS HE3 . . 2.850 2.541 2.269 2.930 0.080 8 0 "[ . 1 . 2]" 1
851 1 48 LYS HE3 1 48 LYS HG2 . . 3.530 3.223 1.979 4.090 0.560 4 1 "[ +. 1 . 2]" 1
852 1 48 LYS HE3 1 48 LYS HG3 . . 3.610 3.003 2.043 3.950 0.340 9 0 "[ . 1 . 2]" 1
853 1 48 LYS HG2 1 49 VAL H . . 4.030 2.543 1.940 3.088 . 0 0 "[ . 1 . 2]" 1
854 1 48 LYS HG3 1 49 VAL H . . 4.140 2.657 1.944 3.994 . 0 0 "[ . 1 . 2]" 1
855 1 49 VAL H 1 49 VAL HB . . 3.580 3.203 2.422 3.543 . 0 0 "[ . 1 . 2]" 1
856 1 49 VAL H 1 49 VAL QG . . 3.470 2.435 2.086 3.117 . 0 0 "[ . 1 . 2]" 1
857 1 49 VAL H 1 50 THR H . . 4.860 4.054 2.903 4.478 . 0 0 "[ . 1 . 2]" 1
858 1 49 VAL HA 1 49 VAL QG . . 3.310 2.278 2.010 2.458 . 0 0 "[ . 1 . 2]" 1
859 1 49 VAL HA 1 50 THR H . . 3.220 2.300 2.182 2.846 . 0 0 "[ . 1 . 2]" 1
860 1 49 VAL HA 1 50 THR HB . . 4.580 4.511 4.402 4.626 0.046 16 0 "[ . 1 . 2]" 1
861 1 49 VAL HB 1 50 THR H . . 4.750 4.187 2.521 4.671 . 0 0 "[ . 1 . 2]" 1
862 1 49 VAL QG 1 50 THR H . . 3.740 2.617 1.855 3.569 . 0 0 "[ . 1 . 2]" 1
863 1 49 VAL QG 1 50 THR HA . . 5.150 3.884 3.367 4.492 . 0 0 "[ . 1 . 2]" 1
864 1 49 VAL QG 1 50 THR HB . . 4.580 3.873 3.332 4.077 . 0 0 "[ . 1 . 2]" 1
865 1 49 VAL QG 1 56 HIS H . . 3.720 2.890 2.644 3.383 . 0 0 "[ . 1 . 2]" 1
866 1 49 VAL QG 1 56 HIS HA . . 3.280 2.831 2.456 3.028 . 0 0 "[ . 1 . 2]" 1
867 1 49 VAL QG 1 56 HIS HB2 . . 3.820 3.082 2.517 3.527 . 0 0 "[ . 1 . 2]" 1
868 1 49 VAL QG 1 56 HIS HD2 . . 3.940 2.752 2.029 3.890 . 0 0 "[ . 1 . 2]" 1
869 1 49 VAL QG 1 57 GLN H . . 5.500 5.053 4.697 5.299 . 0 0 "[ . 1 . 2]" 1
870 1 49 VAL QG 1 60 LEU HB2 . . 4.370 2.498 2.028 3.128 . 0 0 "[ . 1 . 2]" 1
871 1 49 VAL QG 1 61 GLU H . . 5.150 3.790 3.109 4.358 . 0 0 "[ . 1 . 2]" 1
872 1 49 VAL QG 1 61 GLU HA . . 2.920 2.393 2.012 2.861 . 0 0 "[ . 1 . 2]" 1
873 1 49 VAL QG 1 62 TYR H . . 3.950 3.508 3.174 3.852 . 0 0 "[ . 1 . 2]" 1
874 1 49 VAL QG 1 62 TYR HA . . 4.280 4.147 3.910 4.250 . 0 0 "[ . 1 . 2]" 1
875 1 49 VAL QG 1 62 TYR HB2 . . 4.900 3.770 3.525 4.132 . 0 0 "[ . 1 . 2]" 1
876 1 49 VAL QG 1 62 TYR HB3 . . 5.150 4.746 4.495 5.010 . 0 0 "[ . 1 . 2]" 1
877 1 50 THR H 1 50 THR HB . . 3.450 2.481 2.312 3.465 0.015 12 0 "[ . 1 . 2]" 1
878 1 50 THR H 1 50 THR MG . . 4.080 3.697 3.634 3.795 . 0 0 "[ . 1 . 2]" 1
879 1 50 THR H 1 53 SER HB2 . . 5.500 4.392 3.474 5.514 0.014 12 0 "[ . 1 . 2]" 1
880 1 50 THR H 1 53 SER HB3 . . 5.500 4.659 3.978 5.529 0.029 12 0 "[ . 1 . 2]" 1
881 1 50 THR HA 1 50 THR MG . . 3.150 2.411 2.230 2.645 . 0 0 "[ . 1 . 2]" 1
882 1 50 THR HA 1 51 VAL H . . 3.280 2.368 2.150 3.378 0.098 14 0 "[ . 1 . 2]" 1
883 1 50 THR HA 1 51 VAL HA . . 4.900 4.374 4.295 5.146 0.246 14 0 "[ . 1 . 2]" 1
884 1 50 THR HA 1 51 VAL HB . . 4.420 4.308 4.119 4.454 0.034 10 0 "[ . 1 . 2]" 1
885 1 50 THR HA 1 51 VAL QG . . 4.210 3.728 3.389 4.053 . 0 0 "[ . 1 . 2]" 1
886 1 50 THR HB 1 51 VAL H . . 4.730 3.974 2.152 4.454 . 0 0 "[ . 1 . 2]" 1
887 1 50 THR HB 1 53 SER H . . 4.580 4.000 3.244 4.583 0.003 19 0 "[ . 1 . 2]" 1
888 1 50 THR HB 1 53 SER HB3 . . 3.850 2.823 1.995 3.531 . 0 0 "[ . 1 . 2]" 1
889 1 50 THR MG 1 51 VAL H . . 3.720 2.322 1.838 3.789 0.069 14 0 "[ . 1 . 2]" 1
890 1 50 THR MG 1 51 VAL HA . . 4.900 4.111 3.845 4.724 . 0 0 "[ . 1 . 2]" 1
891 1 50 THR MG 1 51 VAL HB . . 4.140 4.051 3.348 4.250 0.110 15 0 "[ . 1 . 2]" 1
892 1 50 THR MG 1 51 VAL QG . . 4.470 3.679 2.990 4.116 . 0 0 "[ . 1 . 2]" 1
893 1 50 THR MG 1 53 SER H . . 4.080 3.366 2.773 3.955 . 0 0 "[ . 1 . 2]" 1
894 1 50 THR MG 1 53 SER HA . . 4.580 4.080 3.740 4.497 . 0 0 "[ . 1 . 2]" 1
895 1 50 THR MG 1 53 SER HB2 . . 4.280 2.586 1.954 3.649 . 0 0 "[ . 1 . 2]" 1
896 1 50 THR MG 1 53 SER HB3 . . 4.030 3.246 1.928 4.128 0.098 19 0 "[ . 1 . 2]" 1
897 1 51 VAL H 1 51 VAL HB . . 3.720 2.452 2.162 3.600 . 0 0 "[ . 1 . 2]" 1
898 1 51 VAL H 1 51 VAL QG . . 3.450 2.447 2.099 3.206 . 0 0 "[ . 1 . 2]" 1
899 1 51 VAL HA 1 51 VAL QG . . 3.230 2.134 2.036 2.249 . 0 0 "[ . 1 . 2]" 1
900 1 51 VAL HA 1 52 GLY H . . 3.240 2.236 2.182 2.409 . 0 0 "[ . 1 . 2]" 1
901 1 51 VAL HA 1 52 GLY HA2 . . 4.580 4.421 4.368 4.497 . 0 0 "[ . 1 . 2]" 1
902 1 51 VAL HA 1 52 GLY HA3 . . 4.370 4.461 4.401 4.592 0.222 19 0 "[ . 1 . 2]" 1
903 1 51 VAL HA 1 53 SER H . . 3.850 3.327 3.085 3.532 . 0 0 "[ . 1 . 2]" 1
904 1 51 VAL HA 1 56 HIS H . . 5.500 4.626 3.677 5.514 0.014 5 0 "[ . 1 . 2]" 1
905 1 51 VAL HA 1 56 HIS HB2 . . 4.370 2.645 2.089 3.238 . 0 0 "[ . 1 . 2]" 1
906 1 51 VAL HA 1 56 HIS HB3 . . 4.140 3.536 2.417 4.183 0.043 12 0 "[ . 1 . 2]" 1
907 1 51 VAL HA 1 56 HIS HD2 . . 4.900 2.888 2.261 3.834 . 0 0 "[ . 1 . 2]" 1
908 1 51 VAL HB 1 52 GLY H . . 5.150 4.297 4.084 4.511 . 0 0 "[ . 1 . 2]" 1
909 1 51 VAL QG 1 52 GLY H . . 3.820 2.388 1.922 2.950 . 0 0 "[ . 1 . 2]" 1
910 1 51 VAL QG 1 52 GLY HA2 . . 4.210 3.524 3.314 3.950 . 0 0 "[ . 1 . 2]" 1
911 1 51 VAL QG 1 52 GLY HA3 . . 3.690 3.262 2.967 3.389 . 0 0 "[ . 1 . 2]" 1
912 1 51 VAL QG 1 53 SER H . . 4.550 4.023 3.798 4.189 . 0 0 "[ . 1 . 2]" 1
913 1 51 VAL QG 1 56 HIS HD2 . . 5.150 3.029 2.118 3.852 . 0 0 "[ . 1 . 2]" 1
914 1 52 GLY H 1 53 SER H . . 4.100 2.701 2.337 3.009 . 0 0 "[ . 1 . 2]" 1
915 1 52 GLY H 1 56 HIS HB2 . . 5.150 2.786 2.237 3.804 . 0 0 "[ . 1 . 2]" 1
916 1 52 GLY H 1 56 HIS HB3 . . 5.150 2.467 2.096 3.389 . 0 0 "[ . 1 . 2]" 1
917 1 53 SER H 1 53 SER HB2 . . 3.670 2.501 2.034 3.736 0.066 16 0 "[ . 1 . 2]" 1
918 1 53 SER H 1 53 SER HB3 . . 4.140 3.093 2.172 3.680 . 0 0 "[ . 1 . 2]" 1
919 1 53 SER H 1 54 ILE H . . 5.030 4.487 2.396 4.656 . 0 0 "[ . 1 . 2]" 1
920 1 53 SER H 1 56 HIS H . . 4.100 3.642 3.140 4.016 . 0 0 "[ . 1 . 2]" 1
921 1 53 SER H 1 56 HIS HB2 . . 3.830 2.780 2.162 3.800 . 0 0 "[ . 1 . 2]" 1
922 1 53 SER H 1 56 HIS HB3 . . 4.040 2.987 1.941 3.827 . 0 0 "[ . 1 . 2]" 1
923 1 53 SER H 1 57 GLN H . . 5.080 4.487 3.996 4.994 . 0 0 "[ . 1 . 2]" 1
924 1 53 SER HA 1 54 ILE H . . 3.160 2.536 2.422 3.178 0.018 19 0 "[ . 1 . 2]" 1
925 1 53 SER HA 1 54 ILE MD . . 4.580 4.483 4.305 4.596 0.016 20 0 "[ . 1 . 2]" 1
926 1 53 SER HA 1 54 ILE HG12 . . 4.280 3.971 3.100 4.088 . 0 0 "[ . 1 . 2]" 1
927 1 53 SER HB2 1 54 ILE H . . 4.080 3.708 2.573 4.168 0.088 5 0 "[ . 1 . 2]" 1
928 1 53 SER HB2 1 55 ALA H . . 4.730 4.224 3.366 4.751 0.021 10 0 "[ . 1 . 2]" 1
929 1 53 SER HB2 1 56 HIS H . . 4.540 3.916 2.913 4.790 0.250 11 0 "[ . 1 . 2]" 1
930 1 53 SER HB3 1 54 ILE H . . 3.780 3.120 2.334 4.235 0.455 19 0 "[ . 1 . 2]" 1
931 1 53 SER HB3 1 55 ALA H . . 4.370 3.405 2.836 4.761 0.391 16 0 "[ . 1 . 2]" 1
932 1 53 SER HB3 1 55 ALA MB . . 4.210 3.495 2.969 4.682 0.472 16 0 "[ . 1 . 2]" 1
933 1 53 SER HB3 1 56 HIS H . . 4.890 3.741 2.972 4.568 . 0 0 "[ . 1 . 2]" 1
934 1 54 ILE H 1 54 ILE HB . . 3.530 2.564 2.486 3.709 0.179 19 0 "[ . 1 . 2]" 1
935 1 54 ILE H 1 54 ILE MD . . 4.580 3.101 2.925 3.364 . 0 0 "[ . 1 . 2]" 1
936 1 54 ILE H 1 54 ILE HG12 . . 3.370 1.969 1.898 2.869 . 0 0 "[ . 1 . 2]" 1
937 1 54 ILE H 1 54 ILE MG . . 4.050 3.736 3.717 4.042 . 0 0 "[ . 1 . 2]" 1
938 1 54 ILE H 1 55 ALA H . . 3.940 3.157 3.074 3.309 . 0 0 "[ . 1 . 2]" 1
939 1 54 ILE H 1 55 ALA MB . . 5.150 4.532 4.446 4.589 . 0 0 "[ . 1 . 2]" 1
940 1 54 ILE H 1 56 HIS H . . 5.350 4.778 4.145 4.959 . 0 0 "[ . 1 . 2]" 1
941 1 54 ILE HA 1 54 ILE MD . . 3.250 2.084 1.931 2.161 . 0 0 "[ . 1 . 2]" 1
942 1 54 ILE HA 1 54 ILE HG12 . . 3.470 2.968 2.917 3.051 . 0 0 "[ . 1 . 2]" 1
943 1 54 ILE HA 1 54 ILE MG . . 3.110 2.423 2.380 2.492 . 0 0 "[ . 1 . 2]" 1
944 1 54 ILE HA 1 56 HIS H . . 5.500 4.954 4.702 5.059 . 0 0 "[ . 1 . 2]" 1
945 1 54 ILE HA 1 57 GLN H . . 3.980 3.488 3.311 3.598 . 0 0 "[ . 1 . 2]" 1
946 1 54 ILE HA 1 57 GLN HB2 . . 3.490 2.842 2.597 3.018 . 0 0 "[ . 1 . 2]" 1
947 1 54 ILE HA 1 57 GLN HG2 . . 4.140 4.116 3.804 4.245 0.105 2 0 "[ . 1 . 2]" 1
948 1 54 ILE HA 1 57 GLN HG3 . . 4.210 2.422 2.115 2.567 . 0 0 "[ . 1 . 2]" 1
949 1 54 ILE HA 1 58 ALA H . . 4.580 4.148 3.949 4.312 . 0 0 "[ . 1 . 2]" 1
950 1 54 ILE HB 1 54 ILE MD . . 3.400 3.208 3.193 3.216 . 0 0 "[ . 1 . 2]" 1
951 1 54 ILE HB 1 55 ALA H . . 3.720 2.381 2.257 2.606 . 0 0 "[ . 1 . 2]" 1
952 1 54 ILE HB 1 55 ALA MB . . 4.900 3.984 3.844 4.077 . 0 0 "[ . 1 . 2]" 1
953 1 54 ILE MD 1 55 ALA H . . 4.900 4.643 4.576 4.779 . 0 0 "[ . 1 . 2]" 1
954 1 54 ILE MD 1 57 GLN HB2 . . 4.730 3.797 3.665 3.975 . 0 0 "[ . 1 . 2]" 1
955 1 54 ILE HG12 1 55 ALA H . . 4.120 4.286 4.099 4.354 0.234 20 0 "[ . 1 . 2]" 1
956 1 54 ILE HG13 1 54 ILE MG . . 2.930 2.391 2.313 2.610 . 0 0 "[ . 1 . 2]" 1
957 1 54 ILE MG 1 55 ALA H . . 3.610 3.095 2.909 3.600 . 0 0 "[ . 1 . 2]" 1
958 1 54 ILE MG 1 55 ALA HA . . 3.980 3.382 3.261 3.725 . 0 0 "[ . 1 . 2]" 1
959 1 54 ILE MG 1 56 HIS H . . 5.500 5.225 5.005 5.528 0.028 19 0 "[ . 1 . 2]" 1
960 1 54 ILE MG 1 57 GLN H . . 5.080 4.544 4.349 4.775 . 0 0 "[ . 1 . 2]" 1
961 1 54 ILE MG 1 57 GLN HB2 . . 3.890 3.465 3.210 3.569 . 0 0 "[ . 1 . 2]" 1
962 1 54 ILE MG 1 58 ALA H . . 4.840 3.702 3.440 3.915 . 0 0 "[ . 1 . 2]" 1
963 1 54 ILE MG 1 58 ALA MB . . 3.660 3.123 2.711 3.334 . 0 0 "[ . 1 . 2]" 1
964 1 55 ALA H 1 55 ALA MB . . 3.110 2.084 1.939 2.189 . 0 0 "[ . 1 . 2]" 1
965 1 55 ALA H 1 56 HIS H . . 3.830 3.194 2.985 3.299 . 0 0 "[ . 1 . 2]" 1
966 1 55 ALA H 1 57 GLN H . . 5.010 4.342 3.998 4.567 . 0 0 "[ . 1 . 2]" 1
967 1 55 ALA HA 1 58 ALA H . . 3.950 3.238 2.900 3.409 . 0 0 "[ . 1 . 2]" 1
968 1 55 ALA HA 1 58 ALA MB . . 3.250 2.429 2.199 2.696 . 0 0 "[ . 1 . 2]" 1
969 1 55 ALA HA 1 59 GLY H . . 4.470 4.201 3.853 4.498 0.028 14 0 "[ . 1 . 2]" 1
970 1 55 ALA HA 1 60 LEU H . . 4.820 4.224 3.865 4.628 . 0 0 "[ . 1 . 2]" 1
971 1 55 ALA HA 1 60 LEU MD1 . . 3.450 2.509 2.193 3.278 . 0 0 "[ . 1 . 2]" 1
972 1 55 ALA HA 1 60 LEU MD2 . . 5.500 4.909 4.721 5.139 . 0 0 "[ . 1 . 2]" 1
973 1 55 ALA HA 1 60 LEU HG . . 4.080 3.672 3.311 3.805 . 0 0 "[ . 1 . 2]" 1
974 1 55 ALA MB 1 56 HIS H . . 3.660 2.215 2.021 2.429 . 0 0 "[ . 1 . 2]" 1
975 1 55 ALA MB 1 56 HIS HA . . 4.580 3.657 3.556 3.752 . 0 0 "[ . 1 . 2]" 1
976 1 55 ALA MB 1 56 HIS HB3 . . 5.150 4.682 4.159 4.890 . 0 0 "[ . 1 . 2]" 1
977 1 55 ALA MB 1 57 GLN H . . 4.900 4.398 4.197 4.536 . 0 0 "[ . 1 . 2]" 1
978 1 55 ALA MB 1 58 ALA H . . 5.150 4.376 4.196 4.472 . 0 0 "[ . 1 . 2]" 1
979 1 55 ALA MB 1 60 LEU H . . 4.470 3.750 3.461 4.004 . 0 0 "[ . 1 . 2]" 1
980 1 55 ALA MB 1 60 LEU HB2 . . 3.420 2.478 1.997 2.780 . 0 0 "[ . 1 . 2]" 1
981 1 55 ALA MB 1 60 LEU HB3 . . 4.080 3.591 3.141 3.881 . 0 0 "[ . 1 . 2]" 1
982 1 55 ALA MB 1 60 LEU MD1 . . 3.010 2.209 1.869 2.722 . 0 0 "[ . 1 . 2]" 1
983 1 56 HIS H 1 56 HIS HB2 . . 3.670 2.168 2.045 2.865 . 0 0 "[ . 1 . 2]" 1
984 1 56 HIS H 1 56 HIS HB3 . . 3.700 2.866 2.120 3.121 . 0 0 "[ . 1 . 2]" 1
985 1 56 HIS H 1 56 HIS HD2 . . 5.500 4.454 3.980 5.370 . 0 0 "[ . 1 . 2]" 1
986 1 56 HIS H 1 57 GLN H . . 3.640 3.032 2.874 3.151 . 0 0 "[ . 1 . 2]" 1
987 1 56 HIS H 1 57 GLN HB2 . . 5.500 5.380 5.148 5.493 . 0 0 "[ . 1 . 2]" 1
988 1 56 HIS H 1 57 GLN HG2 . . 5.500 5.226 4.892 5.505 0.005 6 0 "[ . 1 . 2]" 1
989 1 56 HIS H 1 57 GLN HG3 . . 5.470 4.457 4.258 4.729 . 0 0 "[ . 1 . 2]" 1
990 1 56 HIS HA 1 56 HIS HD2 . . 3.720 3.066 2.697 3.667 . 0 0 "[ . 1 . 2]" 1
991 1 56 HIS HA 1 57 GLN HG3 . . 5.500 5.555 5.512 5.811 0.311 2 0 "[ . 1 . 2]" 1
992 1 56 HIS HA 1 58 ALA H . . 4.580 4.464 4.164 4.588 0.008 20 0 "[ . 1 . 2]" 1
993 1 56 HIS HA 1 59 GLY H . . 3.890 3.339 3.127 3.683 . 0 0 "[ . 1 . 2]" 1
994 1 56 HIS HA 1 60 LEU H . . 4.430 3.173 2.645 3.599 . 0 0 "[ . 1 . 2]" 1
995 1 56 HIS HB2 1 57 GLN H . . 3.820 3.640 3.315 4.185 0.365 5 0 "[ . 1 . 2]" 1
996 1 56 HIS HB2 1 57 GLN HG2 . . 5.500 5.064 4.723 5.737 0.237 5 0 "[ . 1 . 2]" 1
997 1 56 HIS HB2 1 57 GLN HG3 . . 5.150 4.912 4.573 5.533 0.383 5 0 "[ . 1 . 2]" 1
998 1 56 HIS HB3 1 57 GLN H . . 4.210 2.560 2.338 2.966 . 0 0 "[ . 1 . 2]" 1
999 1 57 GLN H 1 57 GLN HB2 . . 3.280 2.692 2.553 2.766 . 0 0 "[ . 1 . 2]" 1
1000 1 57 GLN H 1 57 GLN HG2 . . 3.640 2.519 2.397 2.855 . 0 0 "[ . 1 . 2]" 1
1001 1 57 GLN H 1 57 GLN HG3 . . 3.600 2.031 1.939 2.313 . 0 0 "[ . 1 . 2]" 1
1002 1 57 GLN H 1 58 ALA H . . 3.550 2.762 2.412 2.955 . 0 0 "[ . 1 . 2]" 1
1003 1 57 GLN H 1 58 ALA HA . . 5.500 5.292 5.003 5.444 . 0 0 "[ . 1 . 2]" 1
1004 1 57 GLN H 1 58 ALA MB . . 4.580 4.282 4.012 4.418 . 0 0 "[ . 1 . 2]" 1
1005 1 57 GLN H 1 59 GLY H . . 5.030 4.037 3.708 4.242 . 0 0 "[ . 1 . 2]" 1
1006 1 57 GLN HA 1 57 GLN HB3 . . 2.970 2.426 2.390 2.480 . 0 0 "[ . 1 . 2]" 1
1007 1 57 GLN HA 1 57 GLN HG2 . . 3.360 2.505 2.386 2.579 . 0 0 "[ . 1 . 2]" 1
1008 1 57 GLN HA 1 57 GLN HG3 . . 3.610 3.473 3.339 3.566 . 0 0 "[ . 1 . 2]" 1
1009 1 57 GLN HA 1 58 ALA MB . . 5.150 5.007 4.986 5.027 . 0 0 "[ . 1 . 2]" 1
1010 1 57 GLN HA 1 59 GLY H . . 4.470 4.154 3.563 4.468 . 0 0 "[ . 1 . 2]" 1
1011 1 57 GLN HB2 1 57 GLN HE22 . . 5.500 4.643 3.876 5.066 . 0 0 "[ . 1 . 2]" 1
1012 1 57 GLN HB2 1 57 GLN HG3 . . 2.990 2.364 2.313 2.388 . 0 0 "[ . 1 . 2]" 1
1013 1 57 GLN HB2 1 58 ALA H . . 3.600 2.624 2.520 2.956 . 0 0 "[ . 1 . 2]" 1
1014 1 57 GLN HB2 1 58 ALA HA . . 4.730 4.089 4.022 4.190 . 0 0 "[ . 1 . 2]" 1
1015 1 57 GLN HB2 1 58 ALA MB . . 4.370 3.859 3.758 4.015 . 0 0 "[ . 1 . 2]" 1
1016 1 57 GLN HB2 1 59 GLY H . . 5.370 4.903 4.605 5.211 . 0 0 "[ . 1 . 2]" 1
1017 1 57 GLN HB3 1 57 GLN HG2 . . 2.940 2.669 2.636 2.751 . 0 0 "[ . 1 . 2]" 1
1018 1 57 GLN HE22 1 57 GLN HG2 . . 4.080 3.672 3.448 4.158 0.078 16 0 "[ . 1 . 2]" 1
1019 1 57 GLN HE22 1 57 GLN HG3 . . 3.940 3.801 3.445 4.157 0.217 19 0 "[ . 1 . 2]" 1
1020 1 57 GLN HG2 1 58 ALA H . . 4.900 4.641 4.527 4.809 . 0 0 "[ . 1 . 2]" 1
1021 1 57 GLN HG3 1 58 ALA H . . 4.730 3.999 3.875 4.265 . 0 0 "[ . 1 . 2]" 1
1022 1 58 ALA H 1 58 ALA MB . . 2.840 1.995 1.932 2.137 . 0 0 "[ . 1 . 2]" 1
1023 1 58 ALA H 1 59 GLY H . . 3.340 2.649 2.522 2.709 . 0 0 "[ . 1 . 2]" 1
1024 1 58 ALA H 1 59 GLY HA2 . . 4.890 4.884 4.794 4.911 0.021 18 0 "[ . 1 . 2]" 1
1025 1 58 ALA H 1 59 GLY HA3 . . 5.360 5.215 5.142 5.242 . 0 0 "[ . 1 . 2]" 1
1026 1 58 ALA H 1 60 LEU H . . 4.460 4.324 4.047 4.464 0.004 8 0 "[ . 1 . 2]" 1
1027 1 58 ALA MB 1 59 GLY H . . 3.400 2.807 2.608 3.098 . 0 0 "[ . 1 . 2]" 1
1028 1 58 ALA MB 1 59 GLY HA3 . . 4.900 4.231 4.119 4.451 . 0 0 "[ . 1 . 2]" 1
1029 1 58 ALA MB 1 60 LEU H . . 3.970 3.444 3.137 3.756 . 0 0 "[ . 1 . 2]" 1
1030 1 58 ALA MB 1 60 LEU MD2 . . 3.980 3.611 3.090 3.972 . 0 0 "[ . 1 . 2]" 1
1031 1 58 ALA MB 1 60 LEU HG . . 3.850 2.475 1.982 2.757 . 0 0 "[ . 1 . 2]" 1
1032 1 59 GLY H 1 60 LEU HG . . 5.230 3.980 3.590 4.267 . 0 0 "[ . 1 . 2]" 1
1033 1 59 GLY HA3 1 60 LEU HG . . 5.500 5.091 4.742 5.306 . 0 0 "[ . 1 . 2]" 1
1034 1 60 LEU H 1 60 LEU HB2 . . 3.570 2.263 2.176 2.461 . 0 0 "[ . 1 . 2]" 1
1035 1 60 LEU H 1 60 LEU HB3 . . 3.850 3.517 3.457 3.635 . 0 0 "[ . 1 . 2]" 1
1036 1 60 LEU H 1 60 LEU MD1 . . 4.670 3.827 3.586 4.073 . 0 0 "[ . 1 . 2]" 1
1037 1 60 LEU H 1 60 LEU MD2 . . 4.080 3.898 3.495 4.059 . 0 0 "[ . 1 . 2]" 1
1038 1 60 LEU H 1 60 LEU HG . . 3.610 2.971 2.666 3.168 . 0 0 "[ . 1 . 2]" 1
1039 1 60 LEU H 1 61 GLU H . . 5.070 4.574 4.467 4.628 . 0 0 "[ . 1 . 2]" 1
1040 1 60 LEU HA 1 60 LEU MD1 . . 3.890 3.828 3.754 3.889 . 0 0 "[ . 1 . 2]" 1
1041 1 60 LEU HA 1 60 LEU MD2 . . 3.110 2.077 1.946 2.280 . 0 0 "[ . 1 . 2]" 1
1042 1 60 LEU HA 1 60 LEU HG . . 3.820 2.863 2.731 3.129 . 0 0 "[ . 1 . 2]" 1
1043 1 60 LEU HA 1 61 GLU H . . 3.150 2.416 2.231 2.702 . 0 0 "[ . 1 . 2]" 1
1044 1 60 LEU HA 1 61 GLU HG2 . . 5.150 4.056 3.534 4.641 . 0 0 "[ . 1 . 2]" 1
1045 1 60 LEU HB2 1 60 LEU MD1 . . 3.450 2.314 2.065 2.421 . 0 0 "[ . 1 . 2]" 1
1046 1 60 LEU HB2 1 61 GLU H . . 4.700 3.939 3.382 4.335 . 0 0 "[ . 1 . 2]" 1
1047 1 60 LEU HB3 1 60 LEU MD1 . . 3.360 2.392 2.272 2.614 . 0 0 "[ . 1 . 2]" 1
1048 1 60 LEU HB3 1 60 LEU MD2 . . 3.470 2.334 2.213 2.465 . 0 0 "[ . 1 . 2]" 1
1049 1 60 LEU HB3 1 61 GLU H . . 4.220 2.667 2.037 3.224 . 0 0 "[ . 1 . 2]" 1
1050 1 60 LEU MD1 1 61 GLU H . . 4.900 4.520 3.807 4.904 0.004 9 0 "[ . 1 . 2]" 1
1051 1 60 LEU MD2 1 61 GLU H . . 3.940 2.836 2.536 3.467 . 0 0 "[ . 1 . 2]" 1
1052 1 60 LEU MD2 1 61 GLU HG2 . . 5.150 4.488 3.924 5.403 0.253 19 0 "[ . 1 . 2]" 1
1053 1 60 LEU MD2 1 64 ASP HB2 . . 4.370 4.090 3.850 4.349 . 0 0 "[ . 1 . 2]" 1
1054 1 60 LEU MD2 1 64 ASP HB3 . . 4.280 3.797 3.590 4.119 . 0 0 "[ . 1 . 2]" 1
1055 1 60 LEU HG 1 61 GLU H . . 5.150 4.754 4.572 5.062 . 0 0 "[ . 1 . 2]" 1
1056 1 61 GLU H 1 61 GLU HG2 . . 3.980 2.583 2.036 3.620 . 0 0 "[ . 1 . 2]" 1
1057 1 61 GLU H 1 62 TYR H . . 5.250 4.402 4.334 4.453 . 0 0 "[ . 1 . 2]" 1
1058 1 61 GLU H 1 64 ASP H . . 5.410 4.646 4.377 4.849 . 0 0 "[ . 1 . 2]" 1
1059 1 61 GLU H 1 64 ASP HB2 . . 4.730 3.200 3.028 3.511 . 0 0 "[ . 1 . 2]" 1
1060 1 61 GLU H 1 64 ASP HB3 . . 4.730 4.172 3.997 4.582 . 0 0 "[ . 1 . 2]" 1
1061 1 61 GLU HA 1 61 GLU HG2 . . 3.780 3.707 3.553 4.145 0.365 19 0 "[ . 1 . 2]" 1
1062 1 61 GLU HA 1 62 TYR H . . 3.190 2.557 2.446 2.630 . 0 0 "[ . 1 . 2]" 1
1063 1 61 GLU HB2 1 62 TYR H . . 3.940 2.378 2.237 2.592 . 0 0 "[ . 1 . 2]" 1
1064 1 61 GLU HB3 1 62 TYR H . . 4.030 3.789 3.699 3.881 . 0 0 "[ . 1 . 2]" 1
1065 1 61 GLU HG2 1 62 TYR H . . 4.730 4.267 3.606 4.872 0.142 6 0 "[ . 1 . 2]" 1
1066 1 61 GLU HG2 1 64 ASP H . . 5.500 4.179 3.133 5.398 . 0 0 "[ . 1 . 2]" 1
1067 1 61 GLU HG3 1 99 TYR QD . . 4.900 4.129 3.536 5.046 0.146 18 0 "[ . 1 . 2]" 1
1068 1 62 TYR H 1 62 TYR HB2 . . 3.500 2.491 2.362 2.594 . 0 0 "[ . 1 . 2]" 1
1069 1 62 TYR H 1 62 TYR HB3 . . 3.460 2.228 2.129 2.318 . 0 0 "[ . 1 . 2]" 1
1070 1 62 TYR H 1 62 TYR QD . . 4.370 4.045 3.977 4.081 . 0 0 "[ . 1 . 2]" 1
1071 1 62 TYR H 1 63 GLY H . . 4.840 4.637 4.622 4.659 . 0 0 "[ . 1 . 2]" 1
1072 1 62 TYR H 1 64 ASP H . . 4.600 4.561 4.500 4.597 . 0 0 "[ . 1 . 2]" 1
1073 1 62 TYR HA 1 62 TYR QD . . 3.750 3.276 3.239 3.316 . 0 0 "[ . 1 . 2]" 1
1074 1 62 TYR HA 1 62 TYR QE . . 5.150 4.922 4.856 4.999 . 0 0 "[ . 1 . 2]" 1
1075 1 62 TYR HA 1 63 GLY H . . 3.070 2.352 2.309 2.383 . 0 0 "[ . 1 . 2]" 1
1076 1 62 TYR HA 1 63 GLY HA3 . . 4.580 4.510 4.485 4.535 . 0 0 "[ . 1 . 2]" 1
1077 1 62 TYR HA 1 64 ASP H . . 3.640 3.136 3.020 3.380 . 0 0 "[ . 1 . 2]" 1
1078 1 62 TYR HB2 1 63 GLY H . . 5.150 4.046 3.925 4.120 . 0 0 "[ . 1 . 2]" 1
1079 1 62 TYR QD 1 63 GLY H . . 4.370 2.786 2.623 2.936 . 0 0 "[ . 1 . 2]" 1
1080 1 62 TYR QD 1 103 VAL QG . . 4.730 4.168 3.732 4.617 . 0 0 "[ . 1 . 2]" 1
1081 1 62 TYR QE 1 63 GLY H . . 5.370 3.804 3.718 3.927 . 0 0 "[ . 1 . 2]" 1
1082 1 62 TYR QE 1 63 GLY HA2 . . 3.450 3.372 3.223 3.462 0.012 12 0 "[ . 1 . 2]" 1
1083 1 62 TYR QE 1 63 GLY HA3 . . 4.210 3.811 3.524 4.128 . 0 0 "[ . 1 . 2]" 1
1084 1 62 TYR QE 1 103 VAL QG . . 4.580 3.085 2.675 3.444 . 0 0 "[ . 1 . 2]" 1
1085 1 62 TYR QE 1 104 HIS HA . . 4.900 4.312 2.944 4.909 0.009 19 0 "[ . 1 . 2]" 1
1086 1 63 GLY H 1 103 VAL QG . . 4.900 4.265 3.668 4.669 . 0 0 "[ . 1 . 2]" 1
1087 1 63 GLY HA2 1 103 VAL QG . . 3.940 2.614 1.897 3.126 . 0 0 "[ . 1 . 2]" 1
1088 1 63 GLY HA3 1 103 VAL QG . . 4.280 3.227 2.657 3.922 . 0 0 "[ . 1 . 2]" 1
1089 1 64 ASP H 1 64 ASP HB2 . . 3.550 2.051 2.017 2.124 . 0 0 "[ . 1 . 2]" 1
1090 1 64 ASP H 1 64 ASP HB3 . . 3.720 3.265 3.109 3.430 . 0 0 "[ . 1 . 2]" 1
1091 1 64 ASP H 1 65 GLN H . . 5.450 4.316 4.102 4.656 . 0 0 "[ . 1 . 2]" 1
1092 1 64 ASP HA 1 65 GLN H . . 3.340 2.297 2.252 2.364 . 0 0 "[ . 1 . 2]" 1
1093 1 64 ASP HA 1 99 TYR HA . . 3.610 2.557 2.184 2.998 . 0 0 "[ . 1 . 2]" 1
1094 1 64 ASP HA 1 99 TYR HB2 . . 5.150 4.262 3.773 5.009 . 0 0 "[ . 1 . 2]" 1
1095 1 64 ASP HA 1 99 TYR QD . . 4.280 4.134 3.276 4.298 0.018 7 0 "[ . 1 . 2]" 1
1096 1 64 ASP HA 1 100 ASN H . . 4.210 3.874 3.022 4.252 0.042 17 0 "[ . 1 . 2]" 1
1097 1 64 ASP HB2 1 65 GLN H . . 5.150 4.655 4.279 4.722 . 0 0 "[ . 1 . 2]" 1
1098 1 64 ASP HB2 1 66 LEU MD2 . . 4.580 4.126 3.855 4.474 . 0 0 "[ . 1 . 2]" 1
1099 1 64 ASP HB2 1 97 ALA MB . . 4.140 3.967 3.666 4.168 0.028 17 0 "[ . 1 . 2]" 1
1100 1 64 ASP HB3 1 65 GLN H . . 4.730 3.959 3.090 4.171 . 0 0 "[ . 1 . 2]" 1
1101 1 64 ASP HB3 1 66 LEU MD2 . . 4.370 3.007 2.798 3.583 . 0 0 "[ . 1 . 2]" 1
1102 1 64 ASP HB3 1 97 ALA MB . . 3.610 2.677 2.222 2.868 . 0 0 "[ . 1 . 2]" 1
1103 1 65 GLN H 1 65 GLN HB3 . . 4.030 2.721 2.568 2.871 . 0 0 "[ . 1 . 2]" 1
1104 1 65 GLN H 1 65 GLN HG3 . . 5.000 4.320 4.104 4.625 . 0 0 "[ . 1 . 2]" 1
1105 1 65 GLN H 1 66 LEU H . . 5.500 4.547 4.450 4.616 . 0 0 "[ . 1 . 2]" 1
1106 1 65 GLN H 1 97 ALA HA . . 5.500 5.125 4.550 5.510 0.010 18 0 "[ . 1 . 2]" 1
1107 1 65 GLN H 1 97 ALA MB . . 5.480 4.378 3.764 4.747 . 0 0 "[ . 1 . 2]" 1
1108 1 65 GLN H 1 98 GLN H . . 4.120 3.488 3.001 3.944 . 0 0 "[ . 1 . 2]" 1
1109 1 65 GLN H 1 99 TYR HA . . 4.530 3.325 2.905 3.890 . 0 0 "[ . 1 . 2]" 1
1110 1 65 GLN H 1 100 ASN H . . 5.020 3.836 2.775 4.825 . 0 0 "[ . 1 . 2]" 1
1111 1 65 GLN HA 1 65 GLN HG2 . . 3.850 2.421 2.155 2.569 . 0 0 "[ . 1 . 2]" 1
1112 1 65 GLN HA 1 65 GLN HG3 . . 3.940 2.862 2.554 3.372 . 0 0 "[ . 1 . 2]" 1
1113 1 65 GLN HA 1 66 LEU H . . 3.290 2.219 2.203 2.246 . 0 0 "[ . 1 . 2]" 1
1114 1 65 GLN HA 1 66 LEU MD2 . . 5.050 4.285 3.754 4.762 . 0 0 "[ . 1 . 2]" 1
1115 1 65 GLN HB2 1 66 LEU H . . 4.980 4.455 4.346 4.555 . 0 0 "[ . 1 . 2]" 1
1116 1 65 GLN HB2 1 98 GLN H . . 5.000 4.918 4.690 5.013 0.013 19 0 "[ . 1 . 2]" 1
1117 1 65 GLN HB3 1 66 LEU H . . 5.330 4.130 3.980 4.359 . 0 0 "[ . 1 . 2]" 1
1118 1 65 GLN HB3 1 67 LEU MD2 . . 3.850 3.404 2.861 3.854 0.004 10 0 "[ . 1 . 2]" 1
1119 1 65 GLN HB3 1 98 GLN H . . 4.900 3.881 3.525 4.282 . 0 0 "[ . 1 . 2]" 1
1120 1 65 GLN HE21 1 67 LEU MD2 . . 4.030 3.033 2.457 3.847 . 0 0 "[ . 1 . 2]" 1
1121 1 65 GLN HE21 1 75 ARG HA . . 4.900 3.804 2.975 4.617 . 0 0 "[ . 1 . 2]" 1
1122 1 65 GLN HE22 1 67 LEU MD2 . . 4.080 2.498 2.007 3.243 . 0 0 "[ . 1 . 2]" 1
1123 1 65 GLN HE22 1 75 ARG HA . . 4.580 4.014 3.362 4.564 . 0 0 "[ . 1 . 2]" 1
1124 1 65 GLN HG2 1 66 LEU H . . 4.280 2.674 2.370 3.014 . 0 0 "[ . 1 . 2]" 1
1125 1 65 GLN HG2 1 66 LEU HA . . 5.170 4.686 4.386 5.166 . 0 0 "[ . 1 . 2]" 1
1126 1 65 GLN HG2 1 67 LEU MD2 . . 4.370 3.850 3.584 4.376 0.006 12 0 "[ . 1 . 2]" 1
1127 1 65 GLN HG3 1 66 LEU H . . 4.470 4.041 3.823 4.369 . 0 0 "[ . 1 . 2]" 1
1128 1 65 GLN HG3 1 67 LEU MD2 . . 5.030 4.645 4.027 4.970 . 0 0 "[ . 1 . 2]" 1
1129 1 66 LEU H 1 66 LEU HB2 . . 3.990 2.587 2.355 2.685 . 0 0 "[ . 1 . 2]" 1
1130 1 66 LEU H 1 66 LEU MD1 . . 4.000 3.491 3.267 3.741 . 0 0 "[ . 1 . 2]" 1
1131 1 66 LEU H 1 66 LEU MD2 . . 4.370 3.353 3.118 3.637 . 0 0 "[ . 1 . 2]" 1
1132 1 66 LEU H 1 66 LEU HG . . 3.820 2.147 1.960 2.514 . 0 0 "[ . 1 . 2]" 1
1133 1 66 LEU H 1 67 LEU H . . 4.820 4.400 4.161 4.556 . 0 0 "[ . 1 . 2]" 1
1134 1 66 LEU H 1 67 LEU MD2 . . 5.150 5.051 4.493 5.162 0.012 9 0 "[ . 1 . 2]" 1
1135 1 66 LEU HA 1 66 LEU MD1 . . 4.370 3.948 3.876 3.992 . 0 0 "[ . 1 . 2]" 1
1136 1 66 LEU HA 1 66 LEU MD2 . . 3.220 2.235 1.967 2.464 . 0 0 "[ . 1 . 2]" 1
1137 1 66 LEU HA 1 67 LEU H . . 3.280 2.194 2.177 2.270 . 0 0 "[ . 1 . 2]" 1
1138 1 66 LEU HA 1 67 LEU MD2 . . 5.150 4.781 4.285 5.007 . 0 0 "[ . 1 . 2]" 1
1139 1 66 LEU HA 1 67 LEU HG . . 4.470 4.102 3.298 4.530 0.060 18 0 "[ . 1 . 2]" 1
1140 1 66 LEU HA 1 68 GLU H . . 4.580 4.143 3.807 4.597 0.017 19 0 "[ . 1 . 2]" 1
1141 1 66 LEU HA 1 74 LEU QD . . 4.900 4.206 3.623 4.667 . 0 0 "[ . 1 . 2]" 1
1142 1 66 LEU HA 1 95 ILE MG . . 4.140 3.691 3.406 4.013 . 0 0 "[ . 1 . 2]" 1
1143 1 66 LEU HA 1 97 ALA HA . . 3.780 2.666 2.245 3.203 . 0 0 "[ . 1 . 2]" 1
1144 1 66 LEU HA 1 97 ALA MB . . 4.030 3.424 3.002 3.809 . 0 0 "[ . 1 . 2]" 1
1145 1 66 LEU HA 1 98 GLN H . . 4.840 4.453 3.910 4.853 0.013 10 0 "[ . 1 . 2]" 1
1146 1 66 LEU HB2 1 66 LEU MD1 . . 3.340 2.215 2.093 2.315 . 0 0 "[ . 1 . 2]" 1
1147 1 66 LEU HB2 1 67 LEU H . . 4.670 4.323 4.124 4.586 . 0 0 "[ . 1 . 2]" 1
1148 1 66 LEU HB2 1 74 LEU QD . . 3.750 2.608 1.919 3.425 . 0 0 "[ . 1 . 2]" 1
1149 1 66 LEU HB3 1 66 LEU MD1 . . 3.160 2.506 2.381 2.633 . 0 0 "[ . 1 . 2]" 1
1150 1 66 LEU HB3 1 66 LEU MD2 . . 3.330 2.270 2.165 2.414 . 0 0 "[ . 1 . 2]" 1
1151 1 66 LEU HB3 1 67 LEU H . . 4.480 3.670 3.338 4.066 . 0 0 "[ . 1 . 2]" 1
1152 1 66 LEU HB3 1 74 LEU HB2 . . 4.730 3.954 3.200 4.730 0.000 20 0 "[ . 1 . 2]" 1
1153 1 66 LEU HB3 1 74 LEU QD . . 3.660 2.575 1.877 3.266 . 0 0 "[ . 1 . 2]" 1
1154 1 66 LEU MD1 1 69 PHE QD . . 4.900 4.081 3.357 4.881 . 0 0 "[ . 1 . 2]" 1
1155 1 66 LEU MD2 1 67 LEU H . . 4.140 3.941 3.602 4.130 . 0 0 "[ . 1 . 2]" 1
1156 1 66 LEU MD2 1 69 PHE QD . . 4.900 4.539 4.247 4.902 0.002 1 0 "[ . 1 . 2]" 1
1157 1 66 LEU MD2 1 95 ILE MG . . 2.790 2.290 1.878 2.802 0.012 10 0 "[ . 1 . 2]" 1
1158 1 66 LEU MD2 1 96 LEU H . . 5.150 4.439 4.073 5.145 . 0 0 "[ . 1 . 2]" 1
1159 1 66 LEU MD2 1 97 ALA HA . . 4.080 3.475 2.997 4.094 0.014 10 0 "[ . 1 . 2]" 1
1160 1 66 LEU MD2 1 97 ALA MB . . 3.260 2.714 2.146 3.265 0.005 18 0 "[ . 1 . 2]" 1
1161 1 67 LEU H 1 67 LEU HB3 . . 4.110 3.549 3.473 3.660 . 0 0 "[ . 1 . 2]" 1
1162 1 67 LEU H 1 67 LEU MD1 . . 4.140 3.695 3.163 3.957 . 0 0 "[ . 1 . 2]" 1
1163 1 67 LEU H 1 67 LEU MD2 . . 4.050 3.620 3.392 3.789 . 0 0 "[ . 1 . 2]" 1
1164 1 67 LEU H 1 67 LEU HG . . 3.820 2.590 2.062 2.972 . 0 0 "[ . 1 . 2]" 1
1165 1 67 LEU H 1 68 GLU H . . 3.460 2.537 2.138 3.172 . 0 0 "[ . 1 . 2]" 1
1166 1 67 LEU H 1 95 ILE MG . . 4.470 4.276 3.976 4.499 0.029 17 0 "[ . 1 . 2]" 1
1167 1 67 LEU H 1 96 LEU H . . 5.190 4.273 3.686 4.773 . 0 0 "[ . 1 . 2]" 1
1168 1 67 LEU H 1 96 LEU HB3 . . 5.150 3.929 2.885 4.413 . 0 0 "[ . 1 . 2]" 1
1169 1 67 LEU H 1 96 LEU QD . . 4.730 3.799 2.285 4.332 . 0 0 "[ . 1 . 2]" 1
1170 1 67 LEU H 1 97 ALA HA . . 3.780 2.778 2.488 3.025 . 0 0 "[ . 1 . 2]" 1
1171 1 67 LEU H 1 97 ALA MB . . 4.370 4.251 3.995 4.411 0.041 13 0 "[ . 1 . 2]" 1
1172 1 67 LEU HA 1 67 LEU MD1 . . 4.370 3.858 3.773 4.025 . 0 0 "[ . 1 . 2]" 1
1173 1 67 LEU HA 1 67 LEU MD2 . . 3.110 2.128 1.924 2.562 . 0 0 "[ . 1 . 2]" 1
1174 1 67 LEU HA 1 67 LEU HG . . 4.030 3.020 2.955 3.165 . 0 0 "[ . 1 . 2]" 1
1175 1 67 LEU HA 1 68 GLU HG3 . . 4.900 4.358 3.846 4.865 . 0 0 "[ . 1 . 2]" 1
1176 1 67 LEU HA 1 74 LEU HB2 . . 5.150 3.655 2.901 5.116 . 0 0 "[ . 1 . 2]" 1
1177 1 67 LEU HA 1 75 ARG H . . 5.500 3.626 3.001 4.566 . 0 0 "[ . 1 . 2]" 1
1178 1 67 LEU HB2 1 67 LEU MD1 . . 3.300 2.317 2.041 2.469 . 0 0 "[ . 1 . 2]" 1
1179 1 67 LEU HB2 1 67 LEU MD2 . . 3.550 3.201 3.148 3.216 . 0 0 "[ . 1 . 2]" 1
1180 1 67 LEU HB2 1 68 GLU H . . 4.180 2.474 2.182 2.754 . 0 0 "[ . 1 . 2]" 1
1181 1 67 LEU HB3 1 67 LEU MD1 . . 3.020 2.399 2.235 2.744 . 0 0 "[ . 1 . 2]" 1
1182 1 67 LEU HB3 1 67 LEU MD2 . . 3.140 2.330 2.126 2.427 . 0 0 "[ . 1 . 2]" 1
1183 1 67 LEU HB3 1 68 GLU H . . 3.910 3.368 2.713 3.973 0.063 7 0 "[ . 1 . 2]" 1
1184 1 67 LEU HB3 1 96 LEU QD . . 3.690 2.740 1.970 3.364 . 0 0 "[ . 1 . 2]" 1
1185 1 67 LEU MD1 1 68 GLU H . . 4.730 4.302 3.543 4.657 . 0 0 "[ . 1 . 2]" 1
1186 1 67 LEU MD1 1 96 LEU QD . . 3.430 2.387 1.597 3.002 . 0 0 "[ . 1 . 2]" 1
1187 1 67 LEU MD1 1 96 LEU HG . . 3.370 3.004 2.413 3.656 0.286 10 0 "[ . 1 . 2]" 1
1188 1 67 LEU MD1 1 97 ALA H . . 5.500 4.866 3.461 5.490 . 0 0 "[ . 1 . 2]" 1
1189 1 67 LEU MD1 1 97 ALA HA . . 4.280 4.050 3.275 4.286 0.006 4 0 "[ . 1 . 2]" 1
1190 1 67 LEU MD1 1 98 GLN H . . 4.620 4.222 3.519 4.431 . 0 0 "[ . 1 . 2]" 1
1191 1 67 LEU MD1 1 98 GLN HB2 . . 4.140 2.004 1.883 2.233 . 0 0 "[ . 1 . 2]" 1
1192 1 67 LEU MD1 1 98 GLN HB3 . . 3.550 2.547 2.054 3.469 . 0 0 "[ . 1 . 2]" 1
1193 1 67 LEU MD1 1 98 GLN HG2 . . 4.580 4.103 3.569 4.586 0.006 13 0 "[ . 1 . 2]" 1
1194 1 67 LEU MD1 1 98 GLN HG3 . . 4.280 3.657 3.300 3.924 . 0 0 "[ . 1 . 2]" 1
1195 1 67 LEU MD2 1 68 GLU H . . 5.150 4.641 4.417 4.761 . 0 0 "[ . 1 . 2]" 1
1196 1 67 LEU MD2 1 75 ARG H . . 5.110 4.462 4.093 5.061 . 0 0 "[ . 1 . 2]" 1
1197 1 67 LEU MD2 1 75 ARG HA . . 4.470 4.327 4.053 4.498 0.028 13 0 "[ . 1 . 2]" 1
1198 1 67 LEU MD2 1 75 ARG HB2 . . 4.470 4.561 4.176 5.154 0.684 7 3 "[ . + -1 . * 2]" 1
1199 1 67 LEU MD2 1 75 ARG HB3 . . 5.150 4.756 4.441 5.150 . 0 0 "[ . 1 . 2]" 1
1200 1 67 LEU MD2 1 75 ARG HD3 . . 4.580 3.604 2.208 4.880 0.300 7 0 "[ . 1 . 2]" 1
1201 1 67 LEU MD2 1 75 ARG HG2 . . 4.080 2.808 2.306 3.833 . 0 0 "[ . 1 . 2]" 1
1202 1 67 LEU MD2 1 75 ARG HG3 . . 3.940 2.786 2.285 3.565 . 0 0 "[ . 1 . 2]" 1
1203 1 67 LEU MD2 1 97 ALA HA . . 5.150 4.904 4.155 5.154 0.004 14 0 "[ . 1 . 2]" 1
1204 1 67 LEU HG 1 68 GLU H . . 4.670 4.385 3.854 4.627 . 0 0 "[ . 1 . 2]" 1
1205 1 67 LEU HG 1 97 ALA HA . . 4.370 3.569 2.919 3.830 . 0 0 "[ . 1 . 2]" 1
1206 1 67 LEU HG 1 98 GLN H . . 4.740 4.045 3.469 4.366 . 0 0 "[ . 1 . 2]" 1
1207 1 68 GLU H 1 68 GLU HG2 . . 4.860 4.319 3.428 4.869 0.009 12 0 "[ . 1 . 2]" 1
1208 1 68 GLU H 1 68 GLU HG3 . . 5.120 3.538 3.055 3.984 . 0 0 "[ . 1 . 2]" 1
1209 1 68 GLU H 1 69 PHE H . . 5.010 4.355 4.122 4.467 . 0 0 "[ . 1 . 2]" 1
1210 1 68 GLU H 1 74 LEU HB2 . . 5.500 4.069 3.619 4.529 . 0 0 "[ . 1 . 2]" 1
1211 1 68 GLU H 1 74 LEU QD . . 5.150 3.896 3.489 4.632 . 0 0 "[ . 1 . 2]" 1
1212 1 68 GLU H 1 95 ILE HA . . 5.250 5.079 4.722 5.260 0.010 16 0 "[ . 1 . 2]" 1
1213 1 68 GLU H 1 95 ILE MG . . 4.410 4.190 3.982 4.401 . 0 0 "[ . 1 . 2]" 1
1214 1 68 GLU H 1 96 LEU H . . 3.860 3.047 2.758 3.220 . 0 0 "[ . 1 . 2]" 1
1215 1 68 GLU H 1 96 LEU HB2 . . 4.580 3.768 2.757 4.199 . 0 0 "[ . 1 . 2]" 1
1216 1 68 GLU H 1 96 LEU HB3 . . 3.860 2.134 1.918 2.475 . 0 0 "[ . 1 . 2]" 1
1217 1 68 GLU H 1 96 LEU QD . . 4.240 3.004 2.610 3.389 . 0 0 "[ . 1 . 2]" 1
1218 1 68 GLU H 1 96 LEU HG . . 5.150 3.635 2.999 4.715 . 0 0 "[ . 1 . 2]" 1
1219 1 68 GLU H 1 97 ALA HA . . 5.150 4.635 4.349 5.026 . 0 0 "[ . 1 . 2]" 1
1220 1 68 GLU HA 1 68 GLU HG2 . . 4.280 2.608 2.198 3.337 . 0 0 "[ . 1 . 2]" 1
1221 1 68 GLU HA 1 68 GLU HG3 . . 3.940 2.786 2.096 3.531 . 0 0 "[ . 1 . 2]" 1
1222 1 68 GLU HA 1 69 PHE H . . 3.090 2.354 2.207 2.665 . 0 0 "[ . 1 . 2]" 1
1223 1 68 GLU HA 1 69 PHE HB2 . . 5.150 4.348 4.147 4.633 . 0 0 "[ . 1 . 2]" 1
1224 1 68 GLU HA 1 69 PHE HB3 . . 4.730 4.376 4.244 4.568 . 0 0 "[ . 1 . 2]" 1
1225 1 68 GLU HA 1 72 ILE H . . 5.150 4.763 3.330 5.184 0.034 10 0 "[ . 1 . 2]" 1
1226 1 68 GLU HA 1 73 ASN HA . . 4.030 3.083 2.367 3.996 . 0 0 "[ . 1 . 2]" 1
1227 1 68 GLU HA 1 74 LEU H . . 3.780 2.335 1.936 3.506 . 0 0 "[ . 1 . 2]" 1
1228 1 68 GLU HA 1 74 LEU HB2 . . 4.580 2.881 2.002 3.347 . 0 0 "[ . 1 . 2]" 1
1229 1 68 GLU HA 1 74 LEU QD . . 4.370 2.919 2.145 3.825 . 0 0 "[ . 1 . 2]" 1
1230 1 68 GLU HA 1 74 LEU HG . . 4.470 3.825 3.223 4.500 0.030 10 0 "[ . 1 . 2]" 1
1231 1 68 GLU HB2 1 69 PHE H . . 4.580 4.054 3.458 4.467 . 0 0 "[ . 1 . 2]" 1
1232 1 68 GLU HB2 1 71 GLY H . . 4.900 4.043 3.616 4.292 . 0 0 "[ . 1 . 2]" 1
1233 1 68 GLU HB2 1 96 LEU H . . 4.500 4.130 3.861 4.390 . 0 0 "[ . 1 . 2]" 1
1234 1 68 GLU HB2 1 96 LEU HB2 . . 4.080 3.198 2.431 3.717 . 0 0 "[ . 1 . 2]" 1
1235 1 68 GLU HB2 1 96 LEU HB3 . . 4.030 2.385 1.991 3.198 . 0 0 "[ . 1 . 2]" 1
1236 1 68 GLU HB2 1 96 LEU QD . . 3.690 2.554 1.812 3.642 . 0 0 "[ . 1 . 2]" 1
1237 1 68 GLU HB3 1 69 PHE H . . 3.860 2.892 2.114 3.517 . 0 0 "[ . 1 . 2]" 1
1238 1 68 GLU HB3 1 71 GLY H . . 4.660 2.852 2.711 3.104 . 0 0 "[ . 1 . 2]" 1
1239 1 68 GLU HB3 1 71 GLY HA2 . . 4.580 3.177 2.488 3.675 . 0 0 "[ . 1 . 2]" 1
1240 1 68 GLU HB3 1 71 GLY HA3 . . 4.900 4.566 4.137 4.894 . 0 0 "[ . 1 . 2]" 1
1241 1 68 GLU HB3 1 96 LEU HB2 . . 4.730 4.472 3.928 4.752 0.022 19 0 "[ . 1 . 2]" 1
1242 1 68 GLU HG2 1 69 PHE H . . 5.260 4.113 3.756 4.430 . 0 0 "[ . 1 . 2]" 1
1243 1 68 GLU HG2 1 73 ASN HA . . 3.940 2.256 1.985 3.951 0.011 20 0 "[ . 1 . 2]" 1
1244 1 68 GLU HG3 1 69 PHE H . . 4.990 4.714 3.870 5.254 0.264 1 0 "[ . 1 . 2]" 1
1245 1 68 GLU HG3 1 73 ASN HA . . 3.690 3.173 1.993 3.826 0.136 1 0 "[ . 1 . 2]" 1
1246 1 68 GLU HG3 1 74 LEU H . . 4.550 3.586 2.263 4.498 . 0 0 "[ . 1 . 2]" 1
1247 1 68 GLU HG3 1 96 LEU QD . . 4.470 3.361 2.135 4.312 . 0 0 "[ . 1 . 2]" 1
1248 1 69 PHE H 1 69 PHE HB3 . . 3.990 2.388 2.136 2.755 . 0 0 "[ . 1 . 2]" 1
1249 1 69 PHE H 1 69 PHE QD . . 5.450 4.058 3.889 4.241 . 0 0 "[ . 1 . 2]" 1
1250 1 69 PHE H 1 70 ASN H . . 5.220 4.103 3.701 4.401 . 0 0 "[ . 1 . 2]" 1
1251 1 69 PHE H 1 71 GLY H . . 4.550 3.179 2.586 3.700 . 0 0 "[ . 1 . 2]" 1
1252 1 69 PHE H 1 72 ILE H . . 3.730 2.980 1.977 3.618 . 0 0 "[ . 1 . 2]" 1
1253 1 69 PHE H 1 72 ILE HB . . 4.280 2.966 2.545 4.100 . 0 0 "[ . 1 . 2]" 1
1254 1 69 PHE H 1 72 ILE MG . . 4.910 3.042 2.717 3.407 . 0 0 "[ . 1 . 2]" 1
1255 1 69 PHE H 1 73 ASN HA . . 5.220 4.279 3.822 5.147 . 0 0 "[ . 1 . 2]" 1
1256 1 69 PHE H 1 74 LEU H . . 4.940 3.919 3.081 4.902 . 0 0 "[ . 1 . 2]" 1
1257 1 69 PHE H 1 74 LEU HB2 . . 5.500 4.255 2.827 5.183 . 0 0 "[ . 1 . 2]" 1
1258 1 69 PHE H 1 74 LEU QD . . 4.280 2.807 1.920 4.017 . 0 0 "[ . 1 . 2]" 1
1259 1 69 PHE H 1 74 LEU HG . . 4.730 3.821 2.722 4.736 0.006 7 0 "[ . 1 . 2]" 1
1260 1 69 PHE HA 1 70 ASN H . . 3.400 2.229 2.195 2.295 . 0 0 "[ . 1 . 2]" 1
1261 1 69 PHE HA 1 95 ILE MD . . 4.580 4.525 4.144 4.603 0.023 7 0 "[ . 1 . 2]" 1
1262 1 69 PHE HA 1 95 ILE HG12 . . 4.370 2.998 2.541 3.220 . 0 0 "[ . 1 . 2]" 1
1263 1 69 PHE HA 1 96 LEU H . . 4.460 3.199 2.863 3.524 . 0 0 "[ . 1 . 2]" 1
1264 1 69 PHE HB2 1 70 ASN H . . 5.130 4.548 4.380 4.629 . 0 0 "[ . 1 . 2]" 1
1265 1 69 PHE HB2 1 72 ILE H . . 5.500 5.109 4.539 5.504 0.004 2 0 "[ . 1 . 2]" 1
1266 1 69 PHE HB2 1 74 LEU QD . . 3.590 1.941 1.789 2.174 . 0 0 "[ . 1 . 2]" 1
1267 1 69 PHE HB2 1 74 LEU HG . . 4.900 3.220 2.289 3.900 . 0 0 "[ . 1 . 2]" 1
1268 1 69 PHE HB2 1 85 ILE MG . . 3.940 3.118 2.701 3.514 . 0 0 "[ . 1 . 2]" 1
1269 1 69 PHE HB2 1 86 ILE MG . . 4.900 3.620 3.198 4.173 . 0 0 "[ . 1 . 2]" 1
1270 1 69 PHE HB2 1 95 ILE HG12 . . 4.900 3.772 3.340 4.259 . 0 0 "[ . 1 . 2]" 1
1271 1 69 PHE HB3 1 70 ASN H . . 5.470 4.522 4.452 4.595 . 0 0 "[ . 1 . 2]" 1
1272 1 69 PHE HB3 1 72 ILE H . . 5.410 3.736 3.422 4.026 . 0 0 "[ . 1 . 2]" 1
1273 1 69 PHE HB3 1 72 ILE HB . . 4.900 2.378 1.852 3.603 . 0 0 "[ . 1 . 2]" 1
1274 1 69 PHE HB3 1 72 ILE MD . . 4.900 3.285 2.663 4.426 . 0 0 "[ . 1 . 2]" 1
1275 1 69 PHE HB3 1 72 ILE MG . . 4.080 2.597 2.209 3.276 . 0 0 "[ . 1 . 2]" 1
1276 1 69 PHE HB3 1 74 LEU QD . . 3.780 2.549 1.858 3.217 . 0 0 "[ . 1 . 2]" 1
1277 1 69 PHE HB3 1 74 LEU HG . . 5.150 3.635 2.601 4.808 . 0 0 "[ . 1 . 2]" 1
1278 1 69 PHE HB3 1 85 ILE MG . . 3.570 2.306 2.016 2.545 . 0 0 "[ . 1 . 2]" 1
1279 1 69 PHE QD 1 70 ASN H . . 5.240 4.142 3.781 4.361 . 0 0 "[ . 1 . 2]" 1
1280 1 69 PHE QD 1 70 ASN HB2 . . 4.140 3.021 2.500 4.699 0.559 12 2 "[ . 1 + . -]" 1
1281 1 69 PHE QD 1 70 ASN HB3 . . 4.580 3.601 2.864 3.976 . 0 0 "[ . 1 . 2]" 1
1282 1 69 PHE QD 1 70 ASN HD21 . . 5.150 4.251 2.844 4.772 . 0 0 "[ . 1 . 2]" 1
1283 1 69 PHE QD 1 72 ILE HA . . 5.500 5.510 5.295 5.673 0.173 20 0 "[ . 1 . 2]" 1
1284 1 69 PHE QD 1 72 ILE HB . . 5.150 2.765 2.578 3.046 . 0 0 "[ . 1 . 2]" 1
1285 1 69 PHE QD 1 72 ILE MD . . 4.140 2.153 1.929 2.819 . 0 0 "[ . 1 . 2]" 1
1286 1 69 PHE QD 1 72 ILE MG . . 4.900 3.649 2.406 4.065 . 0 0 "[ . 1 . 2]" 1
1287 1 69 PHE QD 1 74 LEU QD . . 4.470 3.159 2.503 3.687 . 0 0 "[ . 1 . 2]" 1
1288 1 69 PHE QD 1 85 ILE MG . . 3.470 2.204 1.842 2.580 . 0 0 "[ . 1 . 2]" 1
1289 1 69 PHE QD 1 86 ILE HA . . 4.900 3.692 3.277 4.259 . 0 0 "[ . 1 . 2]" 1
1290 1 69 PHE QD 1 86 ILE MD . . 5.150 5.157 5.057 5.204 0.054 10 0 "[ . 1 . 2]" 1
1291 1 69 PHE QD 1 86 ILE MG . . 4.030 2.681 2.396 3.062 . 0 0 "[ . 1 . 2]" 1
1292 1 69 PHE QD 1 93 ILE MD . . 4.210 3.358 2.983 4.005 . 0 0 "[ . 1 . 2]" 1
1293 1 69 PHE QD 1 93 ILE MG . . 5.150 5.141 4.995 5.304 0.154 20 0 "[ . 1 . 2]" 1
1294 1 69 PHE QD 1 95 ILE MD . . 3.750 2.955 2.544 3.435 . 0 0 "[ . 1 . 2]" 1
1295 1 69 PHE QD 1 95 ILE HG12 . . 4.030 2.302 1.997 2.954 . 0 0 "[ . 1 . 2]" 1
1296 1 69 PHE QD 1 95 ILE HG13 . . 4.730 3.513 2.769 4.521 . 0 0 "[ . 1 . 2]" 1
1297 1 69 PHE QD 1 95 ILE MG . . 4.280 3.607 2.734 4.271 . 0 0 "[ . 1 . 2]" 1
1298 1 69 PHE QE 1 70 ASN HB2 . . 5.150 3.444 2.899 5.151 0.001 12 0 "[ . 1 . 2]" 1
1299 1 69 PHE QE 1 70 ASN HB3 . . 5.500 4.184 3.661 4.525 . 0 0 "[ . 1 . 2]" 1
1300 1 69 PHE QE 1 70 ASN HD22 . . 5.500 4.625 1.907 5.363 . 0 0 "[ . 1 . 2]" 1
1301 1 69 PHE QE 1 72 ILE MD . . 4.470 3.438 3.111 3.679 . 0 0 "[ . 1 . 2]" 1
1302 1 69 PHE QE 1 85 ILE MG . . 4.140 2.873 2.461 3.539 . 0 0 "[ . 1 . 2]" 1
1303 1 69 PHE QE 1 86 ILE HA . . 4.140 2.446 2.224 2.784 . 0 0 "[ . 1 . 2]" 1
1304 1 69 PHE QE 1 86 ILE MG . . 4.080 2.910 2.224 3.745 . 0 0 "[ . 1 . 2]" 1
1305 1 69 PHE QE 1 93 ILE MD . . 3.750 2.367 1.988 2.833 . 0 0 "[ . 1 . 2]" 1
1306 1 69 PHE QE 1 93 ILE HG12 . . 5.500 3.903 3.430 4.240 . 0 0 "[ . 1 . 2]" 1
1307 1 69 PHE QE 1 93 ILE HG13 . . 5.150 2.643 2.071 3.033 . 0 0 "[ . 1 . 2]" 1
1308 1 69 PHE QE 1 93 ILE MG . . 3.690 3.612 3.377 3.713 0.023 10 0 "[ . 1 . 2]" 1
1309 1 69 PHE QE 1 95 ILE MD . . 3.780 2.769 2.291 3.137 . 0 0 "[ . 1 . 2]" 1
1310 1 69 PHE QE 1 95 ILE HG12 . . 5.500 3.504 2.960 4.143 . 0 0 "[ . 1 . 2]" 1
1311 1 69 PHE QE 1 95 ILE HG13 . . 5.500 3.816 3.357 4.397 . 0 0 "[ . 1 . 2]" 1
1312 1 69 PHE HZ 1 72 ILE MD . . 5.500 5.353 5.049 5.521 0.021 20 0 "[ . 1 . 2]" 1
1313 1 69 PHE HZ 1 86 ILE HA . . 5.500 2.630 2.178 3.083 . 0 0 "[ . 1 . 2]" 1
1314 1 69 PHE HZ 1 93 ILE MD . . 3.980 2.708 2.060 3.194 . 0 0 "[ . 1 . 2]" 1
1315 1 69 PHE HZ 1 93 ILE HG12 . . 5.150 4.295 3.873 4.570 . 0 0 "[ . 1 . 2]" 1
1316 1 69 PHE HZ 1 93 ILE HG13 . . 4.900 2.664 2.288 3.311 . 0 0 "[ . 1 . 2]" 1
1317 1 69 PHE HZ 1 93 ILE MG . . 3.470 3.004 2.843 3.122 . 0 0 "[ . 1 . 2]" 1
1318 1 70 ASN H 1 71 GLY H . . 4.090 2.681 2.574 2.888 . 0 0 "[ . 1 . 2]" 1
1319 1 70 ASN H 1 72 ILE H . . 5.350 4.472 4.113 4.793 . 0 0 "[ . 1 . 2]" 1
1320 1 70 ASN H 1 93 ILE MD . . 5.110 4.037 3.658 4.501 . 0 0 "[ . 1 . 2]" 1
1321 1 70 ASN H 1 94 THR H . . 4.240 3.940 3.534 4.186 . 0 0 "[ . 1 . 2]" 1
1322 1 70 ASN H 1 94 THR HB . . 5.020 3.714 3.230 4.097 . 0 0 "[ . 1 . 2]" 1
1323 1 70 ASN HA 1 71 GLY H . . 3.570 3.139 3.003 3.236 . 0 0 "[ . 1 . 2]" 1
1324 1 70 ASN HA 1 93 ILE MD . . 5.150 4.572 4.192 5.210 0.060 12 0 "[ . 1 . 2]" 1
1325 1 70 ASN HA 1 94 THR H . . 4.370 2.881 2.607 3.231 . 0 0 "[ . 1 . 2]" 1
1326 1 70 ASN HA 1 94 THR HB . . 3.850 2.812 2.435 3.107 . 0 0 "[ . 1 . 2]" 1
1327 1 70 ASN HA 1 94 THR MG . . 4.580 4.335 3.710 4.586 0.006 16 0 "[ . 1 . 2]" 1
1328 1 70 ASN HB2 1 70 ASN HD22 . . 4.140 3.629 3.554 3.889 . 0 0 "[ . 1 . 2]" 1
1329 1 70 ASN HB2 1 71 GLY H . . 5.500 4.237 4.090 4.586 . 0 0 "[ . 1 . 2]" 1
1330 1 70 ASN HB2 1 72 ILE MD . . 4.470 3.875 3.271 4.574 0.104 12 0 "[ . 1 . 2]" 1
1331 1 70 ASN HB2 1 93 ILE MD . . 5.500 3.795 2.819 4.954 . 0 0 "[ . 1 . 2]" 1
1332 1 70 ASN HB3 1 71 GLY H . . 5.280 4.077 3.901 4.611 . 0 0 "[ . 1 . 2]" 1
1333 1 70 ASN HB3 1 72 ILE MD . . 4.730 3.502 2.528 4.592 . 0 0 "[ . 1 . 2]" 1
1334 1 70 ASN HB3 1 93 ILE MD . . 5.500 4.909 3.563 5.329 . 0 0 "[ . 1 . 2]" 1
1335 1 70 ASN HD21 1 90 CYS HB2 . . 5.500 3.918 3.464 4.489 . 0 0 "[ . 1 . 2]" 1
1336 1 70 ASN HD21 1 93 ILE HA . . 4.940 3.531 3.204 4.215 . 0 0 "[ . 1 . 2]" 1
1337 1 70 ASN HD21 1 93 ILE MD . . 4.580 4.163 3.501 4.453 . 0 0 "[ . 1 . 2]" 1
1338 1 70 ASN HD21 1 93 ILE HG12 . . 5.150 2.915 2.003 3.339 . 0 0 "[ . 1 . 2]" 1
1339 1 70 ASN HD21 1 93 ILE HG13 . . 4.900 2.663 1.896 3.127 . 0 0 "[ . 1 . 2]" 1
1340 1 70 ASN HD21 1 93 ILE MG . . 4.730 3.930 3.592 4.102 . 0 0 "[ . 1 . 2]" 1
1341 1 70 ASN HD21 1 94 THR H . . 5.030 3.983 3.469 4.633 . 0 0 "[ . 1 . 2]" 1
1342 1 70 ASN HD22 1 90 CYS HB2 . . 4.580 4.008 3.410 4.645 0.065 12 0 "[ . 1 . 2]" 1
1343 1 70 ASN HD22 1 90 CYS HB3 . . 4.580 3.532 2.957 5.284 0.704 12 2 "[ . 1 + . -]" 1
1344 1 70 ASN HD22 1 93 ILE HA . . 4.680 2.465 1.942 5.069 0.389 20 0 "[ . 1 . 2]" 1
1345 1 70 ASN HD22 1 93 ILE MD . . 4.370 4.394 4.283 4.683 0.313 12 0 "[ . 1 . 2]" 1
1346 1 70 ASN HD22 1 93 ILE HG12 . . 4.900 3.173 2.989 3.837 . 0 0 "[ . 1 . 2]" 1
1347 1 70 ASN HD22 1 93 ILE HG13 . . 4.580 3.442 2.926 3.842 . 0 0 "[ . 1 . 2]" 1
1348 1 70 ASN HD22 1 93 ILE MG . . 4.580 3.831 3.647 4.841 0.261 12 0 "[ . 1 . 2]" 1
1349 1 70 ASN HD22 1 94 THR H . . 4.900 3.509 2.979 5.061 0.161 20 0 "[ . 1 . 2]" 1
1350 1 71 GLY H 1 72 ILE H . . 3.970 2.580 2.111 2.865 . 0 0 "[ . 1 . 2]" 1
1351 1 71 GLY H 1 94 THR HB . . 5.500 5.294 4.874 5.514 0.014 16 0 "[ . 1 . 2]" 1
1352 1 72 ILE H 1 72 ILE HB . . 3.390 2.244 2.092 2.744 . 0 0 "[ . 1 . 2]" 1
1353 1 72 ILE H 1 72 ILE MD . . 3.780 3.103 2.427 3.972 0.192 12 0 "[ . 1 . 2]" 1
1354 1 72 ILE H 1 72 ILE HG13 . . 3.940 3.093 2.617 4.141 0.201 20 0 "[ . 1 . 2]" 1
1355 1 72 ILE H 1 72 ILE MG . . 3.850 3.541 2.737 3.681 . 0 0 "[ . 1 . 2]" 1
1356 1 72 ILE H 1 73 ASN H . . 4.910 4.446 2.616 4.675 . 0 0 "[ . 1 . 2]" 1
1357 1 72 ILE H 1 85 ILE MG . . 4.730 4.386 4.044 4.906 0.176 20 0 "[ . 1 . 2]" 1
1358 1 72 ILE HA 1 72 ILE MD . . 3.570 3.615 3.338 3.719 0.149 19 0 "[ . 1 . 2]" 1
1359 1 72 ILE HA 1 72 ILE HG12 . . 3.720 2.920 2.678 3.131 . 0 0 "[ . 1 . 2]" 1
1360 1 72 ILE HA 1 72 ILE HG13 . . 3.640 2.178 1.981 2.328 . 0 0 "[ . 1 . 2]" 1
1361 1 72 ILE HA 1 72 ILE MG . . 3.100 2.687 2.519 3.118 0.018 18 0 "[ . 1 . 2]" 1
1362 1 72 ILE HA 1 73 ASN H . . 3.020 2.321 2.177 3.231 0.211 18 0 "[ . 1 . 2]" 1
1363 1 72 ILE HA 1 73 ASN QB . . 4.570 4.022 3.923 4.426 . 0 0 "[ . 1 . 2]" 1
1364 1 72 ILE HB 1 72 ILE MD . . 3.200 2.031 1.947 2.180 . 0 0 "[ . 1 . 2]" 1
1365 1 72 ILE HB 1 73 ASN H . . 5.040 4.308 3.949 4.647 . 0 0 "[ . 1 . 2]" 1
1366 1 72 ILE HB 1 85 ILE MD . . 4.470 3.876 3.577 4.162 . 0 0 "[ . 1 . 2]" 1
1367 1 72 ILE HB 1 85 ILE MG . . 3.940 2.633 2.321 3.174 . 0 0 "[ . 1 . 2]" 1
1368 1 72 ILE MD 1 85 ILE HA . . 4.370 3.706 3.419 4.142 . 0 0 "[ . 1 . 2]" 1
1369 1 72 ILE MD 1 85 ILE MD . . 3.470 3.488 3.420 3.641 0.171 12 0 "[ . 1 . 2]" 1
1370 1 72 ILE MD 1 85 ILE HG12 . . 4.730 3.089 2.394 3.822 . 0 0 "[ . 1 . 2]" 1
1371 1 72 ILE MD 1 85 ILE MG . . 3.070 1.873 1.710 2.241 . 0 0 "[ . 1 . 2]" 1
1372 1 72 ILE MD 1 88 GLN HE21 . . 5.500 3.726 2.821 4.571 . 0 0 "[ . 1 . 2]" 1
1373 1 72 ILE MD 1 88 GLN HE22 . . 4.080 3.768 2.795 4.095 0.015 10 0 "[ . 1 . 2]" 1
1374 1 72 ILE HG12 1 72 ILE MG . . 3.210 2.176 1.967 2.272 . 0 0 "[ . 1 . 2]" 1
1375 1 72 ILE HG12 1 73 ASN H . . 5.240 4.181 3.724 5.409 0.169 18 0 "[ . 1 . 2]" 1
1376 1 72 ILE HG13 1 72 ILE MG . . 3.220 3.112 2.986 3.194 . 0 0 "[ . 1 . 2]" 1
1377 1 72 ILE HG13 1 73 ASN H . . 4.900 4.217 3.628 5.077 0.177 18 0 "[ . 1 . 2]" 1
1378 1 72 ILE MG 1 73 ASN H . . 3.430 2.441 1.881 3.232 . 0 0 "[ . 1 . 2]" 1
1379 1 72 ILE MG 1 73 ASN HA . . 4.280 3.802 3.456 4.284 0.004 12 0 "[ . 1 . 2]" 1
1380 1 72 ILE MG 1 73 ASN QB . . 4.900 3.757 3.537 4.318 . 0 0 "[ . 1 . 2]" 1
1381 1 72 ILE MG 1 85 ILE HA . . 5.330 4.648 4.108 5.055 . 0 0 "[ . 1 . 2]" 1
1382 1 72 ILE MG 1 85 ILE MD . . 2.900 1.854 1.638 2.105 . 0 0 "[ . 1 . 2]" 1
1383 1 72 ILE MG 1 85 ILE HG12 . . 4.370 2.913 2.382 3.475 . 0 0 "[ . 1 . 2]" 1
1384 1 72 ILE MG 1 85 ILE MG . . 2.920 1.929 1.658 2.412 . 0 0 "[ . 1 . 2]" 1
1385 1 73 ASN H 1 73 ASN QB . . 3.340 2.258 2.018 2.920 . 0 0 "[ . 1 . 2]" 1
1386 1 73 ASN H 1 73 ASN HD22 . . 5.500 5.529 4.221 6.304 0.804 18 1 "[ . 1 . + 2]" 1
1387 1 73 ASN H 1 74 LEU H . . 4.730 4.255 3.382 4.561 . 0 0 "[ . 1 . 2]" 1
1388 1 73 ASN HA 1 74 LEU H . . 3.170 2.289 2.252 2.371 . 0 0 "[ . 1 . 2]" 1
1389 1 73 ASN HA 1 75 ARG H . . 4.370 3.610 3.271 3.888 . 0 0 "[ . 1 . 2]" 1
1390 1 73 ASN QB 1 74 LEU H . . 4.820 3.891 3.473 4.083 . 0 0 "[ . 1 . 2]" 1
1391 1 74 LEU H 1 74 LEU HB2 . . 3.930 2.184 2.009 2.493 . 0 0 "[ . 1 . 2]" 1
1392 1 74 LEU H 1 74 LEU QD . . 4.470 3.062 2.223 3.730 . 0 0 "[ . 1 . 2]" 1
1393 1 74 LEU H 1 74 LEU HG . . 4.110 3.544 2.744 4.235 0.125 4 0 "[ . 1 . 2]" 1
1394 1 74 LEU H 1 75 ARG H . . 3.680 2.322 1.896 2.722 . 0 0 "[ . 1 . 2]" 1
1395 1 74 LEU HA 1 74 LEU QD . . 3.070 2.040 1.894 2.264 . 0 0 "[ . 1 . 2]" 1
1396 1 74 LEU HA 1 74 LEU HG . . 3.940 3.126 2.584 3.650 . 0 0 "[ . 1 . 2]" 1
1397 1 74 LEU HA 1 77 ALA H . . 4.370 3.531 2.545 4.373 0.003 4 0 "[ . 1 . 2]" 1
1398 1 74 LEU HA 1 77 ALA MB . . 2.800 1.984 1.766 2.366 . 0 0 "[ . 1 . 2]" 1
1399 1 74 LEU HB2 1 75 ARG H . . 5.500 3.075 2.829 3.474 . 0 0 "[ . 1 . 2]" 1
1400 1 74 LEU HB3 1 77 ALA H . . 5.120 4.729 4.511 4.927 . 0 0 "[ . 1 . 2]" 1
1401 1 74 LEU HB3 1 77 ALA MB . . 3.490 3.453 3.317 3.513 0.023 8 0 "[ . 1 . 2]" 1
1402 1 74 LEU QD 1 75 ARG H . . 5.150 4.171 3.949 4.407 . 0 0 "[ . 1 . 2]" 1
1403 1 74 LEU QD 1 77 ALA H . . 4.470 4.027 3.663 4.389 . 0 0 "[ . 1 . 2]" 1
1404 1 74 LEU QD 1 77 ALA HA . . 5.500 4.446 3.993 4.898 . 0 0 "[ . 1 . 2]" 1
1405 1 74 LEU QD 1 77 ALA MB . . 3.040 1.977 1.682 2.293 . 0 0 "[ . 1 . 2]" 1
1406 1 74 LEU QD 1 78 THR H . . 5.150 4.626 4.064 5.072 . 0 0 "[ . 1 . 2]" 1
1407 1 74 LEU QD 1 82 ALA H . . 4.750 3.908 3.449 4.083 . 0 0 "[ . 1 . 2]" 1
1408 1 74 LEU QD 1 82 ALA HA . . 3.370 2.551 2.129 2.876 . 0 0 "[ . 1 . 2]" 1
1409 1 74 LEU QD 1 82 ALA MB . . 3.470 2.165 1.917 2.548 . 0 0 "[ . 1 . 2]" 1
1410 1 75 ARG H 1 75 ARG HB2 . . 4.160 2.341 2.022 2.841 . 0 0 "[ . 1 . 2]" 1
1411 1 75 ARG H 1 75 ARG HD2 . . 4.820 4.429 2.013 5.351 0.531 15 1 "[ . 1 + 2]" 1
1412 1 75 ARG H 1 75 ARG HG2 . . 4.000 3.324 2.234 3.978 . 0 0 "[ . 1 . 2]" 1
1413 1 75 ARG H 1 75 ARG HG3 . . 3.940 2.792 1.944 4.009 0.069 13 0 "[ . 1 . 2]" 1
1414 1 75 ARG H 1 77 ALA H . . 5.430 4.619 3.719 5.106 . 0 0 "[ . 1 . 2]" 1
1415 1 75 ARG HA 1 75 ARG HD3 . . 4.900 4.101 2.851 4.622 . 0 0 "[ . 1 . 2]" 1
1416 1 75 ARG HA 1 75 ARG HG2 . . 3.940 2.393 2.118 3.404 . 0 0 "[ . 1 . 2]" 1
1417 1 75 ARG HA 1 75 ARG HG3 . . 4.080 3.056 2.533 3.540 . 0 0 "[ . 1 . 2]" 1
1418 1 75 ARG HB2 1 75 ARG HD2 . . 4.210 3.201 2.268 3.808 . 0 0 "[ . 1 . 2]" 1
1419 1 75 ARG HB3 1 75 ARG HD2 . . 4.140 2.968 2.015 3.859 . 0 0 "[ . 1 . 2]" 1
1420 1 76 SER H 1 77 ALA H . . 4.370 2.725 1.873 3.215 . 0 0 "[ . 1 . 2]" 1
1421 1 76 SER HB2 1 77 ALA H . . 5.070 4.280 2.891 4.723 . 0 0 "[ . 1 . 2]" 1
1422 1 76 SER HB3 1 77 ALA H . . 5.130 4.117 2.761 4.712 . 0 0 "[ . 1 . 2]" 1
1423 1 77 ALA H 1 77 ALA MB . . 3.020 2.351 2.063 2.522 . 0 0 "[ . 1 . 2]" 1
1424 1 77 ALA H 1 78 THR H . . 4.990 4.499 4.346 4.670 . 0 0 "[ . 1 . 2]" 1
1425 1 77 ALA HA 1 78 THR H . . 2.930 2.464 2.232 2.771 . 0 0 "[ . 1 . 2]" 1
1426 1 77 ALA HA 1 81 GLN HB2 . . 4.730 3.885 3.287 4.156 . 0 0 "[ . 1 . 2]" 1
1427 1 77 ALA HA 1 81 GLN HB3 . . 4.580 4.245 3.675 4.594 0.014 15 0 "[ . 1 . 2]" 1
1428 1 77 ALA MB 1 78 THR H . . 3.190 2.532 2.101 3.073 . 0 0 "[ . 1 . 2]" 1
1429 1 77 ALA MB 1 81 GLN H . . 4.900 4.587 4.337 4.794 . 0 0 "[ . 1 . 2]" 1
1430 1 77 ALA MB 1 81 GLN HA . . 5.150 5.117 4.964 5.174 0.024 4 0 "[ . 1 . 2]" 1
1431 1 77 ALA MB 1 81 GLN HB2 . . 3.690 3.089 2.793 3.473 . 0 0 "[ . 1 . 2]" 1
1432 1 77 ALA MB 1 81 GLN HB3 . . 3.690 2.851 2.555 3.159 . 0 0 "[ . 1 . 2]" 1
1433 1 77 ALA MB 1 82 ALA H . . 3.890 3.491 3.165 3.894 0.004 15 0 "[ . 1 . 2]" 1
1434 1 77 ALA MB 1 82 ALA HA . . 4.370 3.751 3.272 4.228 . 0 0 "[ . 1 . 2]" 1
1435 1 78 THR H 1 78 THR MG . . 2.980 2.725 2.244 2.995 0.015 14 0 "[ . 1 . 2]" 1
1436 1 78 THR H 1 79 GLU H . . 5.120 4.486 4.273 4.614 . 0 0 "[ . 1 . 2]" 1
1437 1 78 THR H 1 81 GLN H . . 4.660 3.384 3.136 3.693 . 0 0 "[ . 1 . 2]" 1
1438 1 78 THR H 1 81 GLN HA . . 5.500 5.000 4.778 5.334 . 0 0 "[ . 1 . 2]" 1
1439 1 78 THR H 1 81 GLN HB2 . . 3.940 2.074 1.940 2.362 . 0 0 "[ . 1 . 2]" 1
1440 1 78 THR H 1 81 GLN HB3 . . 3.750 3.269 2.894 3.619 . 0 0 "[ . 1 . 2]" 1
1441 1 78 THR H 1 82 ALA H . . 5.020 3.642 2.991 4.111 . 0 0 "[ . 1 . 2]" 1
1442 1 78 THR HA 1 78 THR MG . . 2.960 2.379 2.199 2.546 . 0 0 "[ . 1 . 2]" 1
1443 1 78 THR HA 1 79 GLU H . . 3.220 2.512 2.234 2.871 . 0 0 "[ . 1 . 2]" 1
1444 1 78 THR HA 1 79 GLU HA . . 4.900 4.222 4.199 4.278 . 0 0 "[ . 1 . 2]" 1
1445 1 78 THR HA 1 79 GLU HB3 . . 4.940 4.897 4.813 4.949 0.009 12 0 "[ . 1 . 2]" 1
1446 1 78 THR HA 1 80 GLN H . . 4.900 4.355 3.906 4.759 . 0 0 "[ . 1 . 2]" 1
1447 1 78 THR HA 1 81 GLN H . . 5.090 4.582 4.259 4.926 . 0 0 "[ . 1 . 2]" 1
1448 1 78 THR HB 1 79 GLU HG2 . . 4.030 3.685 3.347 4.054 0.024 2 0 "[ . 1 . 2]" 1
1449 1 78 THR HB 1 79 GLU HG3 . . 3.610 3.422 3.294 3.628 0.018 9 0 "[ . 1 . 2]" 1
1450 1 78 THR HB 1 81 GLN QE . . 4.000 3.695 3.044 3.900 . 0 0 "[ . 1 . 2]" 1
1451 1 78 THR MG 1 79 GLU H . . 3.780 3.695 3.357 3.800 0.020 16 0 "[ . 1 . 2]" 1
1452 1 78 THR MG 1 79 GLU HG3 . . 4.900 4.798 4.597 4.944 0.044 6 0 "[ . 1 . 2]" 1
1453 1 78 THR MG 1 80 GLN H . . 4.470 4.374 4.156 4.463 . 0 0 "[ . 1 . 2]" 1
1454 1 78 THR MG 1 81 GLN H . . 4.360 4.273 4.065 4.387 0.027 16 0 "[ . 1 . 2]" 1
1455 1 78 THR MG 1 81 GLN HB2 . . 4.470 3.903 3.407 4.189 . 0 0 "[ . 1 . 2]" 1
1456 1 78 THR MG 1 81 GLN QE . . 4.730 2.658 1.816 3.858 . 0 0 "[ . 1 . 2]" 1
1457 1 79 GLU H 1 79 GLU HB2 . . 3.770 3.525 3.512 3.547 . 0 0 "[ . 1 . 2]" 1
1458 1 79 GLU H 1 79 GLU HB3 . . 3.820 2.828 2.694 3.032 . 0 0 "[ . 1 . 2]" 1
1459 1 79 GLU H 1 79 GLU HG2 . . 4.080 1.954 1.934 2.061 . 0 0 "[ . 1 . 2]" 1
1460 1 79 GLU H 1 79 GLU HG3 . . 3.510 2.317 2.020 2.596 . 0 0 "[ . 1 . 2]" 1
1461 1 79 GLU H 1 80 GLN H . . 3.810 2.664 2.294 2.943 . 0 0 "[ . 1 . 2]" 1
1462 1 79 GLU H 1 81 GLN H . . 5.210 4.179 3.815 4.695 . 0 0 "[ . 1 . 2]" 1
1463 1 79 GLU HA 1 79 GLU HG2 . . 3.660 3.719 3.673 3.752 0.092 6 0 "[ . 1 . 2]" 1
1464 1 79 GLU HA 1 79 GLU HG3 . . 3.780 3.648 3.629 3.675 . 0 0 "[ . 1 . 2]" 1
1465 1 79 GLU HA 1 81 GLN H . . 5.150 4.458 4.138 5.011 . 0 0 "[ . 1 . 2]" 1
1466 1 79 GLU HA 1 82 ALA H . . 4.080 3.504 3.177 3.912 . 0 0 "[ . 1 . 2]" 1
1467 1 79 GLU HA 1 82 ALA MB . . 3.490 2.443 2.225 2.706 . 0 0 "[ . 1 . 2]" 1
1468 1 79 GLU HA 1 83 ARG H . . 4.730 3.847 3.692 4.102 . 0 0 "[ . 1 . 2]" 1
1469 1 79 GLU HA 1 83 ARG HG3 . . 4.580 3.980 3.734 4.484 . 0 0 "[ . 1 . 2]" 1
1470 1 79 GLU HB2 1 80 GLN H . . 3.940 3.625 3.438 3.935 . 0 0 "[ . 1 . 2]" 1
1471 1 79 GLU HB3 1 80 GLN H . . 4.210 4.196 4.155 4.333 0.123 9 0 "[ . 1 . 2]" 1
1472 1 79 GLU HG2 1 80 GLN H . . 4.470 3.410 3.200 3.497 . 0 0 "[ . 1 . 2]" 1
1473 1 79 GLU HG3 1 80 GLN H . . 3.190 2.002 1.945 2.386 . 0 0 "[ . 1 . 2]" 1
1474 1 80 GLN H 1 80 GLN HB2 . . 3.450 3.432 2.667 3.574 0.124 3 0 "[ . 1 . 2]" 1
1475 1 80 GLN H 1 80 GLN HB3 . . 3.370 2.694 2.379 3.590 0.220 9 0 "[ . 1 . 2]" 1
1476 1 80 GLN H 1 80 GLN QG . . 3.690 2.025 1.861 2.290 . 0 0 "[ . 1 . 2]" 1
1477 1 80 GLN H 1 81 GLN H . . 3.690 2.615 2.506 2.799 . 0 0 "[ . 1 . 2]" 1
1478 1 80 GLN H 1 81 GLN HA . . 5.500 5.148 5.060 5.279 . 0 0 "[ . 1 . 2]" 1
1479 1 80 GLN H 1 82 ALA H . . 4.330 4.139 3.580 4.351 0.021 7 0 "[ . 1 . 2]" 1
1480 1 80 GLN HA 1 80 GLN QG . . 3.610 3.224 2.555 3.378 . 0 0 "[ . 1 . 2]" 1
1481 1 80 GLN HA 1 83 ARG H . . 3.940 3.720 3.353 3.956 0.016 7 0 "[ . 1 . 2]" 1
1482 1 80 GLN HA 1 83 ARG HB2 . . 3.430 2.857 2.553 3.278 . 0 0 "[ . 1 . 2]" 1
1483 1 80 GLN HA 1 83 ARG HD2 . . 4.470 3.856 3.033 4.899 0.429 4 0 "[ . 1 . 2]" 1
1484 1 80 GLN HA 1 84 LEU H . . 4.900 4.796 4.613 4.920 0.020 1 0 "[ . 1 . 2]" 1
1485 1 80 GLN HB2 1 81 GLN H . . 3.940 3.620 2.296 3.975 0.035 2 0 "[ . 1 . 2]" 1
1486 1 80 GLN HB3 1 81 GLN H . . 3.990 3.950 3.644 4.144 0.154 10 0 "[ . 1 . 2]" 1
1487 1 80 GLN HE21 1 81 GLN QE . . 3.980 2.871 2.109 3.828 . 0 0 "[ . 1 . 2]" 1
1488 1 80 GLN QG 1 81 GLN H . . 3.680 2.157 1.790 3.698 0.018 9 0 "[ . 1 . 2]" 1
1489 1 81 GLN H 1 81 GLN HB2 . . 3.590 2.120 2.044 2.221 . 0 0 "[ . 1 . 2]" 1
1490 1 81 GLN H 1 81 GLN HB3 . . 3.560 3.406 3.282 3.497 . 0 0 "[ . 1 . 2]" 1
1491 1 81 GLN H 1 82 ALA H . . 3.480 2.638 2.422 2.929 . 0 0 "[ . 1 . 2]" 1
1492 1 81 GLN H 1 82 ALA MB . . 4.280 4.119 3.949 4.295 0.015 7 0 "[ . 1 . 2]" 1
1493 1 81 GLN H 1 83 ARG H . . 4.670 4.215 3.893 4.622 . 0 0 "[ . 1 . 2]" 1
1494 1 81 GLN HA 1 81 GLN HG3 . . 3.200 2.204 1.965 2.781 . 0 0 "[ . 1 . 2]" 1
1495 1 81 GLN HA 1 83 ARG H . . 5.500 4.564 4.195 5.026 . 0 0 "[ . 1 . 2]" 1
1496 1 81 GLN HA 1 84 LEU H . . 4.210 3.378 3.043 3.544 . 0 0 "[ . 1 . 2]" 1
1497 1 81 GLN HA 1 84 LEU QB . . 3.940 2.569 2.236 2.781 . 0 0 "[ . 1 . 2]" 1
1498 1 81 GLN HA 1 84 LEU QD . . 3.530 2.290 2.002 2.546 . 0 0 "[ . 1 . 2]" 1
1499 1 81 GLN HA 1 84 LEU HG . . 4.470 3.680 2.963 4.336 . 0 0 "[ . 1 . 2]" 1
1500 1 81 GLN HA 1 85 ILE MD . . 4.580 4.032 3.641 4.497 . 0 0 "[ . 1 . 2]" 1
1501 1 81 GLN HB2 1 82 ALA H . . 3.690 2.855 2.583 3.102 . 0 0 "[ . 1 . 2]" 1
1502 1 81 GLN HB2 1 82 ALA HA . . 4.900 4.755 4.532 4.946 0.046 12 0 "[ . 1 . 2]" 1
1503 1 81 GLN HB2 1 82 ALA MB . . 4.580 4.304 4.143 4.429 . 0 0 "[ . 1 . 2]" 1
1504 1 81 GLN HB2 1 85 ILE MD . . 4.080 3.668 3.120 3.999 . 0 0 "[ . 1 . 2]" 1
1505 1 81 GLN HB3 1 82 ALA H . . 3.840 3.175 2.822 3.536 . 0 0 "[ . 1 . 2]" 1
1506 1 81 GLN HB3 1 82 ALA MB . . 4.580 4.381 4.131 4.591 0.011 19 0 "[ . 1 . 2]" 1
1507 1 81 GLN HB3 1 85 ILE MD . . 5.150 2.333 2.054 2.673 . 0 0 "[ . 1 . 2]" 1
1508 1 81 GLN QE 1 85 ILE MD . . 5.500 4.801 4.271 5.227 . 0 0 "[ . 1 . 2]" 1
1509 1 81 GLN HG2 1 85 ILE MD . . 4.370 3.734 2.762 4.248 . 0 0 "[ . 1 . 2]" 1
1510 1 81 GLN HG3 1 84 LEU QD . . 3.980 3.093 2.101 3.936 . 0 0 "[ . 1 . 2]" 1
1511 1 82 ALA H 1 82 ALA MB . . 3.070 2.017 1.933 2.109 . 0 0 "[ . 1 . 2]" 1
1512 1 82 ALA H 1 83 ARG H . . 3.680 2.837 2.578 3.143 . 0 0 "[ . 1 . 2]" 1
1513 1 82 ALA H 1 83 ARG HG3 . . 5.500 4.862 4.572 5.300 . 0 0 "[ . 1 . 2]" 1
1514 1 82 ALA H 1 84 LEU H . . 5.050 3.890 3.706 4.104 . 0 0 "[ . 1 . 2]" 1
1515 1 82 ALA H 1 85 ILE MD . . 4.470 3.609 3.004 4.066 . 0 0 "[ . 1 . 2]" 1
1516 1 82 ALA HA 1 84 LEU H . . 5.100 3.752 3.505 4.212 . 0 0 "[ . 1 . 2]" 1
1517 1 82 ALA HA 1 85 ILE H . . 3.890 3.210 3.000 3.388 . 0 0 "[ . 1 . 2]" 1
1518 1 82 ALA HA 1 85 ILE HB . . 3.330 2.469 2.160 2.858 . 0 0 "[ . 1 . 2]" 1
1519 1 82 ALA HA 1 85 ILE MD . . 3.400 2.516 1.968 3.132 . 0 0 "[ . 1 . 2]" 1
1520 1 82 ALA HA 1 85 ILE MG . . 4.470 3.934 3.676 4.300 . 0 0 "[ . 1 . 2]" 1
1521 1 82 ALA HA 1 86 ILE H . . 4.580 3.502 3.096 3.785 . 0 0 "[ . 1 . 2]" 1
1522 1 82 ALA HA 1 86 ILE MD . . 4.470 4.037 3.890 4.495 0.025 7 0 "[ . 1 . 2]" 1
1523 1 82 ALA MB 1 83 ARG H . . 3.530 2.560 2.320 2.735 . 0 0 "[ . 1 . 2]" 1
1524 1 82 ALA MB 1 84 LEU H . . 5.150 4.154 4.075 4.447 . 0 0 "[ . 1 . 2]" 1
1525 1 82 ALA MB 1 85 ILE MD . . 4.030 3.570 3.208 4.028 . 0 0 "[ . 1 . 2]" 1
1526 1 82 ALA MB 1 86 ILE MD . . 3.890 2.804 2.394 3.262 . 0 0 "[ . 1 . 2]" 1
1527 1 83 ARG H 1 83 ARG HB2 . . 3.130 2.338 2.241 2.464 . 0 0 "[ . 1 . 2]" 1
1528 1 83 ARG H 1 83 ARG HD3 . . 4.900 4.231 3.475 4.872 . 0 0 "[ . 1 . 2]" 1
1529 1 83 ARG H 1 83 ARG HG2 . . 4.360 3.581 3.049 3.866 . 0 0 "[ . 1 . 2]" 1
1530 1 83 ARG H 1 83 ARG HG3 . . 3.940 2.424 2.245 2.601 . 0 0 "[ . 1 . 2]" 1
1531 1 83 ARG H 1 84 LEU H . . 3.560 2.730 2.574 2.941 . 0 0 "[ . 1 . 2]" 1
1532 1 83 ARG H 1 84 LEU QB . . 5.150 4.493 4.137 4.922 . 0 0 "[ . 1 . 2]" 1
1533 1 83 ARG H 1 84 LEU HG . . 5.500 5.223 4.805 5.515 0.015 15 0 "[ . 1 . 2]" 1
1534 1 83 ARG H 1 86 ILE MD . . 4.960 3.607 3.164 3.980 . 0 0 "[ . 1 . 2]" 1
1535 1 83 ARG HA 1 83 ARG HG2 . . 3.490 2.452 2.188 2.725 . 0 0 "[ . 1 . 2]" 1
1536 1 83 ARG HA 1 83 ARG HG3 . . 3.980 2.814 2.522 3.207 . 0 0 "[ . 1 . 2]" 1
1537 1 83 ARG HA 1 85 ILE H . . 5.150 4.940 4.496 5.113 . 0 0 "[ . 1 . 2]" 1
1538 1 83 ARG HA 1 86 ILE H . . 4.140 4.007 3.678 4.151 0.011 1 0 "[ . 1 . 2]" 1
1539 1 83 ARG HA 1 86 ILE MD . . 3.660 2.032 1.881 2.458 . 0 0 "[ . 1 . 2]" 1
1540 1 83 ARG HA 1 86 ILE HG12 . . 3.280 2.423 2.039 2.715 . 0 0 "[ . 1 . 2]" 1
1541 1 83 ARG HA 1 86 ILE HG13 . . 3.980 3.351 3.058 3.659 . 0 0 "[ . 1 . 2]" 1
1542 1 83 ARG HA 1 86 ILE MG . . 4.080 3.823 3.502 4.065 . 0 0 "[ . 1 . 2]" 1
1543 1 83 ARG HB2 1 84 LEU H . . 4.030 3.181 2.889 3.487 . 0 0 "[ . 1 . 2]" 1
1544 1 83 ARG HD2 1 83 ARG HG3 . . 2.960 2.390 2.270 3.056 0.096 9 0 "[ . 1 . 2]" 1
1545 1 83 ARG HG2 1 84 LEU H . . 5.500 5.255 4.986 5.474 . 0 0 "[ . 1 . 2]" 1
1546 1 83 ARG HG3 1 84 LEU H . . 4.730 4.705 4.599 4.801 0.071 9 0 "[ . 1 . 2]" 1
1547 1 83 ARG HG3 1 86 ILE MD . . 4.280 3.620 3.274 4.210 . 0 0 "[ . 1 . 2]" 1
1548 1 84 LEU H 1 84 LEU QB . . 3.100 2.253 2.199 2.314 . 0 0 "[ . 1 . 2]" 1
1549 1 84 LEU H 1 84 LEU QD . . 4.030 3.369 3.073 3.562 . 0 0 "[ . 1 . 2]" 1
1550 1 84 LEU H 1 84 LEU HG . . 3.510 3.013 2.807 3.176 . 0 0 "[ . 1 . 2]" 1
1551 1 84 LEU H 1 85 ILE H . . 3.510 2.345 2.236 2.534 . 0 0 "[ . 1 . 2]" 1
1552 1 84 LEU H 1 85 ILE HB . . 5.150 4.335 4.135 4.579 . 0 0 "[ . 1 . 2]" 1
1553 1 84 LEU H 1 85 ILE MD . . 5.150 4.516 4.010 5.146 . 0 0 "[ . 1 . 2]" 1
1554 1 84 LEU H 1 85 ILE HG12 . . 5.500 5.537 5.454 5.597 0.097 1 0 "[ . 1 . 2]" 1
1555 1 84 LEU H 1 85 ILE HG13 . . 5.500 3.920 3.816 4.057 . 0 0 "[ . 1 . 2]" 1
1556 1 84 LEU H 1 86 ILE H . . 5.040 3.797 3.418 4.408 . 0 0 "[ . 1 . 2]" 1
1557 1 84 LEU H 1 86 ILE HG12 . . 4.800 3.976 3.677 4.358 . 0 0 "[ . 1 . 2]" 1
1558 1 84 LEU HA 1 84 LEU QD . . 3.040 2.485 2.052 2.841 . 0 0 "[ . 1 . 2]" 1
1559 1 84 LEU HA 1 84 LEU HG . . 3.780 3.134 2.561 3.751 . 0 0 "[ . 1 . 2]" 1
1560 1 84 LEU HA 1 86 ILE H . . 5.500 4.529 3.991 5.113 . 0 0 "[ . 1 . 2]" 1
1561 1 84 LEU HA 1 87 GLY H . . 4.640 3.137 2.924 3.479 . 0 0 "[ . 1 . 2]" 1
1562 1 84 LEU HA 1 88 GLN H . . 5.370 5.151 4.260 5.394 0.024 18 0 "[ . 1 . 2]" 1
1563 1 84 LEU QB 1 85 ILE H . . 3.850 2.812 2.398 3.142 . 0 0 "[ . 1 . 2]" 1
1564 1 84 LEU QB 1 85 ILE MD . . 4.900 4.576 4.342 4.718 . 0 0 "[ . 1 . 2]" 1
1565 1 84 LEU QD 1 85 ILE H . . 4.730 3.479 2.762 4.210 . 0 0 "[ . 1 . 2]" 1
1566 1 84 LEU HG 1 85 ILE H . . 4.730 3.443 1.942 4.737 0.007 14 0 "[ . 1 . 2]" 1
1567 1 85 ILE H 1 85 ILE HB . . 3.220 2.463 2.364 2.508 . 0 0 "[ . 1 . 2]" 1
1568 1 85 ILE H 1 85 ILE MD . . 3.690 3.213 2.912 3.572 . 0 0 "[ . 1 . 2]" 1
1569 1 85 ILE H 1 85 ILE HG12 . . 3.770 3.348 3.103 3.477 . 0 0 "[ . 1 . 2]" 1
1570 1 85 ILE H 1 85 ILE HG13 . . 3.270 1.956 1.910 2.157 . 0 0 "[ . 1 . 2]" 1
1571 1 85 ILE H 1 85 ILE MG . . 3.780 3.708 3.700 3.714 . 0 0 "[ . 1 . 2]" 1
1572 1 85 ILE H 1 86 ILE H . . 3.690 2.866 2.625 3.063 . 0 0 "[ . 1 . 2]" 1
1573 1 85 ILE H 1 86 ILE MG . . 4.730 4.264 4.035 4.413 . 0 0 "[ . 1 . 2]" 1
1574 1 85 ILE H 1 87 GLY H . . 4.850 3.868 3.561 4.004 . 0 0 "[ . 1 . 2]" 1
1575 1 85 ILE H 1 88 GLN HE21 . . 4.800 4.806 4.713 4.830 0.030 15 0 "[ . 1 . 2]" 1
1576 1 85 ILE HA 1 85 ILE MD . . 3.900 3.844 3.760 3.881 . 0 0 "[ . 1 . 2]" 1
1577 1 85 ILE HA 1 85 ILE HG12 . . 3.390 2.658 2.426 2.819 . 0 0 "[ . 1 . 2]" 1
1578 1 85 ILE HA 1 85 ILE HG13 . . 3.450 2.834 2.651 3.043 . 0 0 "[ . 1 . 2]" 1
1579 1 85 ILE HA 1 85 ILE MG . . 3.180 2.400 2.329 2.520 . 0 0 "[ . 1 . 2]" 1
1580 1 85 ILE HA 1 87 GLY H . . 4.730 4.232 3.831 4.588 . 0 0 "[ . 1 . 2]" 1
1581 1 85 ILE HA 1 88 GLN H . . 4.730 4.263 3.655 4.708 . 0 0 "[ . 1 . 2]" 1
1582 1 85 ILE HA 1 88 GLN HB2 . . 4.900 3.688 3.225 4.317 . 0 0 "[ . 1 . 2]" 1
1583 1 85 ILE HA 1 88 GLN HB3 . . 4.730 4.686 4.325 4.917 0.187 19 0 "[ . 1 . 2]" 1
1584 1 85 ILE HA 1 88 GLN HE21 . . 4.370 2.601 2.089 2.878 . 0 0 "[ . 1 . 2]" 1
1585 1 85 ILE HA 1 88 GLN HE22 . . 5.150 4.116 3.276 4.333 . 0 0 "[ . 1 . 2]" 1
1586 1 85 ILE HA 1 88 GLN HG2 . . 4.210 3.284 2.097 3.844 . 0 0 "[ . 1 . 2]" 1
1587 1 85 ILE HA 1 88 GLN HG3 . . 4.210 2.056 1.948 2.618 . 0 0 "[ . 1 . 2]" 1
1588 1 85 ILE HB 1 85 ILE MD . . 3.040 2.279 2.089 2.478 . 0 0 "[ . 1 . 2]" 1
1589 1 85 ILE HB 1 86 ILE H . . 3.850 2.572 2.248 3.016 . 0 0 "[ . 1 . 2]" 1
1590 1 85 ILE HB 1 86 ILE HA . . 5.150 4.407 4.287 4.538 . 0 0 "[ . 1 . 2]" 1
1591 1 85 ILE HB 1 87 GLY H . . 5.210 4.751 4.419 5.079 . 0 0 "[ . 1 . 2]" 1
1592 1 85 ILE MD 1 86 ILE H . . 4.810 4.360 4.063 4.742 . 0 0 "[ . 1 . 2]" 1
1593 1 85 ILE HG12 1 85 ILE MG . . 3.530 2.328 2.136 2.444 . 0 0 "[ . 1 . 2]" 1
1594 1 85 ILE HG12 1 86 ILE H . . 5.500 5.072 4.927 5.232 . 0 0 "[ . 1 . 2]" 1
1595 1 85 ILE HG13 1 85 ILE MG . . 3.640 3.210 3.170 3.240 . 0 0 "[ . 1 . 2]" 1
1596 1 85 ILE HG13 1 86 ILE H . . 5.500 4.302 4.201 4.366 . 0 0 "[ . 1 . 2]" 1
1597 1 85 ILE MG 1 86 ILE H . . 3.850 3.384 3.026 3.801 . 0 0 "[ . 1 . 2]" 1
1598 1 85 ILE MG 1 86 ILE HA . . 3.750 3.538 3.325 3.796 0.046 20 0 "[ . 1 . 2]" 1
1599 1 85 ILE MG 1 86 ILE MG . . 3.820 3.125 2.976 3.280 . 0 0 "[ . 1 . 2]" 1
1600 1 85 ILE MG 1 88 GLN H . . 5.160 4.766 4.217 5.085 . 0 0 "[ . 1 . 2]" 1
1601 1 85 ILE MG 1 88 GLN HE21 . . 4.210 3.743 2.299 4.226 0.016 20 0 "[ . 1 . 2]" 1
1602 1 85 ILE MG 1 88 GLN HE22 . . 4.920 4.622 3.110 4.935 0.015 9 0 "[ . 1 . 2]" 1
1603 1 85 ILE MG 1 88 GLN HG2 . . 5.150 4.808 3.524 5.360 0.210 20 0 "[ . 1 . 2]" 1
1604 1 86 ILE H 1 86 ILE HB . . 3.720 3.552 3.530 3.619 . 0 0 "[ . 1 . 2]" 1
1605 1 86 ILE H 1 86 ILE MD . . 3.820 3.276 3.157 3.493 . 0 0 "[ . 1 . 2]" 1
1606 1 86 ILE H 1 86 ILE HG12 . . 3.770 2.162 2.062 2.279 . 0 0 "[ . 1 . 2]" 1
1607 1 86 ILE H 1 86 ILE HG13 . . 3.720 3.562 3.387 3.683 . 0 0 "[ . 1 . 2]" 1
1608 1 86 ILE H 1 86 ILE MG . . 3.290 2.172 1.973 2.393 . 0 0 "[ . 1 . 2]" 1
1609 1 86 ILE H 1 87 GLY H . . 3.580 2.517 2.213 2.726 . 0 0 "[ . 1 . 2]" 1
1610 1 86 ILE H 1 88 GLN H . . 4.890 4.371 3.642 4.654 . 0 0 "[ . 1 . 2]" 1
1611 1 86 ILE HA 1 86 ILE MD . . 4.030 4.119 4.103 4.127 0.097 20 0 "[ . 1 . 2]" 1
1612 1 86 ILE HA 1 86 ILE HG13 . . 3.850 3.796 3.731 3.848 . 0 0 "[ . 1 . 2]" 1
1613 1 86 ILE HA 1 86 ILE MG . . 3.120 2.338 2.281 2.429 . 0 0 "[ . 1 . 2]" 1
1614 1 86 ILE HA 1 87 GLY HA2 . . 4.730 4.685 4.664 4.729 . 0 0 "[ . 1 . 2]" 1
1615 1 86 ILE HA 1 88 GLN H . . 4.470 3.521 3.400 3.645 . 0 0 "[ . 1 . 2]" 1
1616 1 86 ILE HB 1 86 ILE MD . . 3.200 2.523 2.354 2.599 . 0 0 "[ . 1 . 2]" 1
1617 1 86 ILE HB 1 87 GLY H . . 4.240 4.079 3.974 4.220 . 0 0 "[ . 1 . 2]" 1
1618 1 86 ILE HB 1 88 GLN H . . 5.250 5.092 5.003 5.149 . 0 0 "[ . 1 . 2]" 1
1619 1 86 ILE MD 1 87 GLY H . . 4.470 3.995 3.759 4.271 . 0 0 "[ . 1 . 2]" 1
1620 1 86 ILE HG12 1 86 ILE MG . . 2.970 2.622 2.565 2.683 . 0 0 "[ . 1 . 2]" 1
1621 1 86 ILE HG12 1 87 GLY H . . 4.450 2.291 1.995 2.644 . 0 0 "[ . 1 . 2]" 1
1622 1 86 ILE HG12 1 87 GLY HA3 . . 4.370 3.922 3.692 4.230 . 0 0 "[ . 1 . 2]" 1
1623 1 86 ILE HG13 1 86 ILE MG . . 3.640 3.201 3.184 3.229 . 0 0 "[ . 1 . 2]" 1
1624 1 86 ILE HG13 1 87 GLY H . . 4.440 3.025 2.761 3.340 . 0 0 "[ . 1 . 2]" 1
1625 1 86 ILE HG13 1 87 GLY HA2 . . 4.140 3.691 3.515 3.857 . 0 0 "[ . 1 . 2]" 1
1626 1 86 ILE HG13 1 88 GLN H . . 5.500 5.055 4.879 5.198 . 0 0 "[ . 1 . 2]" 1
1627 1 86 ILE MG 1 87 GLY H . . 3.980 3.931 3.783 4.029 0.049 19 0 "[ . 1 . 2]" 1
1628 1 86 ILE MG 1 88 GLN H . . 5.350 5.099 4.854 5.265 . 0 0 "[ . 1 . 2]" 1
1629 1 87 GLY H 1 88 GLN H . . 3.320 2.998 2.598 3.311 . 0 0 "[ . 1 . 2]" 1
1630 1 87 GLY H 1 88 GLN HA . . 5.150 4.792 4.576 4.937 . 0 0 "[ . 1 . 2]" 1
1631 1 88 GLN H 1 88 GLN HB2 . . 3.430 2.269 2.155 2.330 . 0 0 "[ . 1 . 2]" 1
1632 1 88 GLN H 1 88 GLN HB3 . . 3.270 3.502 3.444 3.556 0.286 16 0 "[ . 1 . 2]" 1
1633 1 88 GLN H 1 88 GLN HG2 . . 3.720 3.468 2.457 3.786 0.066 16 0 "[ . 1 . 2]" 1
1634 1 88 GLN H 1 88 GLN HG3 . . 3.640 3.358 2.923 3.598 . 0 0 "[ . 1 . 2]" 1
1635 1 88 GLN H 1 89 GLN H . . 5.100 4.466 4.416 4.600 . 0 0 "[ . 1 . 2]" 1
1636 1 88 GLN HA 1 88 GLN HG2 . . 4.080 2.140 2.033 2.474 . 0 0 "[ . 1 . 2]" 1
1637 1 88 GLN HA 1 88 GLN HG3 . . 3.850 3.327 3.041 3.656 . 0 0 "[ . 1 . 2]" 1
1638 1 88 GLN HA 1 89 GLN H . . 3.310 2.762 2.675 2.785 . 0 0 "[ . 1 . 2]" 1
1639 1 88 GLN HB2 1 89 GLN H . . 4.540 3.435 3.308 3.486 . 0 0 "[ . 1 . 2]" 1
1640 1 88 GLN HB3 1 89 GLN H . . 4.730 1.952 1.930 2.096 . 0 0 "[ . 1 . 2]" 1
1641 1 88 GLN HE21 1 89 GLN HE21 . . 4.930 4.849 4.241 4.948 0.018 8 0 "[ . 1 . 2]" 1
1642 1 88 GLN HE21 1 89 GLN HE22 . . 4.820 4.786 4.417 4.950 0.130 12 0 "[ . 1 . 2]" 1
1643 1 88 GLN HG2 1 89 GLN H . . 5.500 3.859 3.508 4.409 . 0 0 "[ . 1 . 2]" 1
1644 1 88 GLN HG3 1 89 GLN H . . 5.500 4.593 4.509 4.659 . 0 0 "[ . 1 . 2]" 1
1645 1 88 GLN HG3 1 89 GLN HE21 . . 5.150 4.732 4.409 5.233 0.083 19 0 "[ . 1 . 2]" 1
1646 1 89 GLN H 1 89 GLN HB3 . . 3.640 3.383 2.794 3.853 0.213 9 0 "[ . 1 . 2]" 1
1647 1 89 GLN H 1 89 GLN HG2 . . 4.580 3.168 1.966 4.272 . 0 0 "[ . 1 . 2]" 1
1648 1 89 GLN H 1 89 GLN HG3 . . 4.730 2.771 1.873 3.704 . 0 0 "[ . 1 . 2]" 1
1649 1 89 GLN HA 1 89 GLN HB3 . . 3.040 2.340 2.267 2.463 . 0 0 "[ . 1 . 2]" 1
1650 1 89 GLN HA 1 89 GLN HG2 . . 3.980 3.845 3.417 4.281 0.301 16 0 "[ . 1 . 2]" 1
1651 1 89 GLN HA 1 89 GLN HG3 . . 4.210 3.551 2.487 4.258 0.048 6 0 "[ . 1 . 2]" 1
1652 1 89 GLN HB2 1 90 CYS H . . 5.500 3.310 1.784 4.272 . 0 0 "[ . 1 . 2]" 1
1653 1 90 CYS HB2 1 91 ASP H . . 4.900 4.636 4.564 4.710 . 0 0 "[ . 1 . 2]" 1
1654 1 90 CYS HB2 1 92 THR H . . 4.900 4.901 4.829 4.926 0.026 14 0 "[ . 1 . 2]" 1
1655 1 90 CYS HB2 1 93 ILE MD . . 5.150 5.107 4.929 5.256 0.106 16 0 "[ . 1 . 2]" 1
1656 1 90 CYS HB2 1 93 ILE HG12 . . 5.500 5.440 5.247 5.550 0.050 16 0 "[ . 1 . 2]" 1
1657 1 90 CYS HB2 1 93 ILE MG . . 4.730 2.970 2.730 3.517 . 0 0 "[ . 1 . 2]" 1
1658 1 90 CYS HB3 1 91 ASP H . . 4.730 3.861 3.642 4.475 . 0 0 "[ . 1 . 2]" 1
1659 1 90 CYS HB3 1 92 THR H . . 4.140 3.336 3.244 4.050 . 0 0 "[ . 1 . 2]" 1
1660 1 90 CYS HB3 1 93 ILE MD . . 5.150 5.027 4.238 5.181 0.031 10 0 "[ . 1 . 2]" 1
1661 1 90 CYS HB3 1 93 ILE HG12 . . 5.500 5.186 4.762 5.364 . 0 0 "[ . 1 . 2]" 1
1662 1 90 CYS HB3 1 93 ILE MG . . 4.730 2.595 2.145 2.882 . 0 0 "[ . 1 . 2]" 1
1663 1 91 ASP H 1 91 ASP HB2 . . 4.030 2.387 2.252 2.608 . 0 0 "[ . 1 . 2]" 1
1664 1 91 ASP H 1 92 THR H . . 4.360 2.951 2.841 3.035 . 0 0 "[ . 1 . 2]" 1
1665 1 91 ASP HB2 1 92 THR H . . 3.400 2.509 2.286 2.837 . 0 0 "[ . 1 . 2]" 1
1666 1 91 ASP HB2 1 92 THR HB . . 4.580 4.228 3.864 4.584 0.004 16 0 "[ . 1 . 2]" 1
1667 1 92 THR H 1 92 THR HB . . 3.490 2.751 2.611 2.954 . 0 0 "[ . 1 . 2]" 1
1668 1 92 THR H 1 92 THR MG . . 4.030 3.903 3.856 3.963 . 0 0 "[ . 1 . 2]" 1
1669 1 92 THR H 1 93 ILE H . . 4.690 4.221 3.893 4.305 . 0 0 "[ . 1 . 2]" 1
1670 1 92 THR HB 1 93 ILE H . . 4.390 4.336 4.175 4.423 0.033 16 0 "[ . 1 . 2]" 1
1671 1 92 THR MG 1 93 ILE H . . 3.420 2.885 2.631 3.370 . 0 0 "[ . 1 . 2]" 1
1672 1 93 ILE H 1 93 ILE HB . . 3.640 3.536 3.362 3.635 . 0 0 "[ . 1 . 2]" 1
1673 1 93 ILE H 1 93 ILE MD . . 4.140 3.243 2.926 3.479 . 0 0 "[ . 1 . 2]" 1
1674 1 93 ILE H 1 93 ILE HG13 . . 5.260 4.865 4.722 4.940 . 0 0 "[ . 1 . 2]" 1
1675 1 93 ILE H 1 93 ILE MG . . 4.580 1.983 1.877 2.144 . 0 0 "[ . 1 . 2]" 1
1676 1 93 ILE H 1 94 THR H . . 4.820 4.424 4.359 4.491 . 0 0 "[ . 1 . 2]" 1
1677 1 93 ILE HA 1 93 ILE MD . . 3.910 3.561 3.477 3.629 . 0 0 "[ . 1 . 2]" 1
1678 1 93 ILE HA 1 93 ILE HG12 . . 3.890 2.781 2.710 2.883 . 0 0 "[ . 1 . 2]" 1
1679 1 93 ILE HA 1 93 ILE HG13 . . 3.940 3.751 3.646 3.865 . 0 0 "[ . 1 . 2]" 1
1680 1 93 ILE HA 1 94 THR H . . 3.430 2.304 2.253 2.359 . 0 0 "[ . 1 . 2]" 1
1681 1 93 ILE HB 1 93 ILE MD . . 3.370 3.170 3.141 3.188 . 0 0 "[ . 1 . 2]" 1
1682 1 93 ILE HB 1 94 THR H . . 4.730 3.690 3.523 3.811 . 0 0 "[ . 1 . 2]" 1
1683 1 93 ILE MD 1 93 ILE MG . . 2.900 1.854 1.790 1.882 . 0 0 "[ . 1 . 2]" 1
1684 1 93 ILE MD 1 94 THR H . . 3.510 3.226 2.889 3.461 . 0 0 "[ . 1 . 2]" 1
1685 1 93 ILE MD 1 94 THR HA . . 4.470 3.170 2.828 3.490 . 0 0 "[ . 1 . 2]" 1
1686 1 93 ILE MD 1 94 THR HB . . 4.900 4.714 4.369 4.939 0.039 12 0 "[ . 1 . 2]" 1
1687 1 93 ILE MD 1 95 ILE H . . 4.140 4.004 3.746 4.164 0.024 16 0 "[ . 1 . 2]" 1
1688 1 93 ILE MD 1 95 ILE HB . . 4.080 3.835 3.547 4.067 . 0 0 "[ . 1 . 2]" 1
1689 1 93 ILE MD 1 95 ILE MD . . 3.100 2.308 1.840 2.600 . 0 0 "[ . 1 . 2]" 1
1690 1 93 ILE MD 1 95 ILE HG12 . . 4.080 2.871 2.041 3.423 . 0 0 "[ . 1 . 2]" 1
1691 1 93 ILE MD 1 95 ILE HG13 . . 3.040 1.940 1.860 1.996 . 0 0 "[ . 1 . 2]" 1
1692 1 93 ILE HG12 1 94 THR H . . 4.900 2.138 2.012 2.292 . 0 0 "[ . 1 . 2]" 1
1693 1 93 ILE HG12 1 95 ILE MD . . 4.730 4.591 4.074 4.784 0.054 17 0 "[ . 1 . 2]" 1
1694 1 93 ILE HG13 1 94 THR H . . 4.900 3.839 3.741 3.976 . 0 0 "[ . 1 . 2]" 1
1695 1 93 ILE HG13 1 95 ILE MD . . 4.900 4.564 3.952 4.909 0.009 16 0 "[ . 1 . 2]" 1
1696 1 93 ILE MG 1 94 THR H . . 4.730 4.231 4.172 4.285 . 0 0 "[ . 1 . 2]" 1
1697 1 94 THR H 1 94 THR HB . . 3.510 2.641 2.470 2.792 . 0 0 "[ . 1 . 2]" 1
1698 1 94 THR H 1 94 THR MG . . 3.980 3.795 3.766 3.815 . 0 0 "[ . 1 . 2]" 1
1699 1 94 THR H 1 95 ILE H . . 5.040 4.552 4.525 4.586 . 0 0 "[ . 1 . 2]" 1
1700 1 94 THR HA 1 94 THR MG . . 3.300 2.250 2.093 2.413 . 0 0 "[ . 1 . 2]" 1
1701 1 94 THR HA 1 95 ILE H . . 3.100 2.399 2.320 2.512 . 0 0 "[ . 1 . 2]" 1
1702 1 94 THR HA 1 95 ILE HB . . 4.370 4.218 4.037 4.404 0.034 9 0 "[ . 1 . 2]" 1
1703 1 94 THR HA 1 95 ILE MD . . 5.150 4.576 4.017 4.962 . 0 0 "[ . 1 . 2]" 1
1704 1 94 THR HA 1 95 ILE HG13 . . 5.150 3.772 3.310 4.234 . 0 0 "[ . 1 . 2]" 1
1705 1 94 THR HA 1 95 ILE MG . . 5.420 5.331 5.254 5.377 . 0 0 "[ . 1 . 2]" 1
1706 1 94 THR HB 1 95 ILE H . . 3.980 3.589 3.262 3.884 . 0 0 "[ . 1 . 2]" 1
1707 1 94 THR MG 1 95 ILE H . . 3.590 2.034 1.900 2.207 . 0 0 "[ . 1 . 2]" 1
1708 1 95 ILE H 1 95 ILE HB . . 3.660 2.665 2.562 2.816 . 0 0 "[ . 1 . 2]" 1
1709 1 95 ILE H 1 95 ILE MD . . 4.370 4.127 3.700 4.352 . 0 0 "[ . 1 . 2]" 1
1710 1 95 ILE H 1 95 ILE HG12 . . 4.900 4.445 4.113 4.743 . 0 0 "[ . 1 . 2]" 1
1711 1 95 ILE H 1 95 ILE HG13 . . 4.420 3.388 3.046 3.721 . 0 0 "[ . 1 . 2]" 1
1712 1 95 ILE H 1 95 ILE MG . . 4.080 3.731 3.562 3.876 . 0 0 "[ . 1 . 2]" 1
1713 1 95 ILE H 1 96 LEU H . . 5.050 4.371 4.305 4.416 . 0 0 "[ . 1 . 2]" 1
1714 1 95 ILE HA 1 95 ILE MD . . 3.890 3.786 3.720 3.861 . 0 0 "[ . 1 . 2]" 1
1715 1 95 ILE HA 1 95 ILE HG12 . . 4.080 2.588 2.381 2.862 . 0 0 "[ . 1 . 2]" 1
1716 1 95 ILE HA 1 95 ILE HG13 . . 4.080 2.650 2.319 3.017 . 0 0 "[ . 1 . 2]" 1
1717 1 95 ILE HA 1 95 ILE MG . . 3.330 2.524 2.348 2.674 . 0 0 "[ . 1 . 2]" 1
1718 1 95 ILE HA 1 96 LEU H . . 3.370 2.279 2.241 2.366 . 0 0 "[ . 1 . 2]" 1
1719 1 95 ILE HB 1 95 ILE MD . . 3.220 2.139 1.973 2.298 . 0 0 "[ . 1 . 2]" 1
1720 1 95 ILE HB 1 96 LEU H . . 4.820 4.179 3.959 4.355 . 0 0 "[ . 1 . 2]" 1
1721 1 95 ILE MD 1 95 ILE MG . . 2.520 2.192 1.965 2.499 . 0 0 "[ . 1 . 2]" 1
1722 1 95 ILE MD 1 96 LEU H . . 4.930 4.914 4.757 4.952 0.022 8 0 "[ . 1 . 2]" 1
1723 1 95 ILE HG12 1 96 LEU H . . 5.500 4.036 3.759 4.304 . 0 0 "[ . 1 . 2]" 1
1724 1 95 ILE HG13 1 95 ILE MG . . 3.640 3.215 3.158 3.241 . 0 0 "[ . 1 . 2]" 1
1725 1 95 ILE HG13 1 96 LEU H . . 5.150 4.697 4.322 5.066 . 0 0 "[ . 1 . 2]" 1
1726 1 95 ILE MG 1 96 LEU H . . 3.290 2.166 1.936 2.427 . 0 0 "[ . 1 . 2]" 1
1727 1 95 ILE MG 1 96 LEU HA . . 4.370 3.624 3.421 3.841 . 0 0 "[ . 1 . 2]" 1
1728 1 95 ILE MG 1 97 ALA H . . 4.280 3.323 2.719 4.129 . 0 0 "[ . 1 . 2]" 1
1729 1 95 ILE MG 1 97 ALA HA . . 4.210 3.804 3.538 4.224 0.014 17 0 "[ . 1 . 2]" 1
1730 1 96 LEU H 1 96 LEU HB2 . . 4.180 2.982 2.488 3.244 . 0 0 "[ . 1 . 2]" 1
1731 1 96 LEU H 1 96 LEU HB3 . . 4.030 2.530 2.392 2.960 . 0 0 "[ . 1 . 2]" 1
1732 1 96 LEU H 1 96 LEU QD . . 4.640 3.809 3.599 3.893 . 0 0 "[ . 1 . 2]" 1
1733 1 96 LEU H 1 96 LEU HG . . 5.090 4.423 4.184 4.861 . 0 0 "[ . 1 . 2]" 1
1734 1 96 LEU H 1 97 ALA H . . 5.260 4.039 3.798 4.348 . 0 0 "[ . 1 . 2]" 1
1735 1 96 LEU HA 1 96 LEU QD . . 3.150 2.193 1.917 2.460 . 0 0 "[ . 1 . 2]" 1
1736 1 96 LEU HA 1 96 LEU HG . . 4.140 3.293 2.835 3.821 . 0 0 "[ . 1 . 2]" 1
1737 1 96 LEU HA 1 97 ALA H . . 3.220 2.247 2.176 2.335 . 0 0 "[ . 1 . 2]" 1
1738 1 96 LEU HA 1 97 ALA MB . . 4.470 4.044 3.916 4.135 . 0 0 "[ . 1 . 2]" 1
1739 1 96 LEU HB2 1 97 ALA H . . 4.970 4.536 4.406 4.659 . 0 0 "[ . 1 . 2]" 1
1740 1 96 LEU HB3 1 97 ALA H . . 5.500 4.517 4.201 4.644 . 0 0 "[ . 1 . 2]" 1
1741 1 96 LEU QD 1 97 ALA H . . 3.590 3.034 2.320 3.542 . 0 0 "[ . 1 . 2]" 1
1742 1 96 LEU HG 1 97 ALA H . . 4.900 4.388 3.906 4.948 0.048 7 0 "[ . 1 . 2]" 1
1743 1 97 ALA H 1 97 ALA MB . . 3.370 2.205 2.051 2.451 . 0 0 "[ . 1 . 2]" 1
1744 1 97 ALA HA 1 98 GLN H . . 3.200 2.553 2.299 2.631 . 0 0 "[ . 1 . 2]" 1
1745 1 97 ALA HA 1 98 GLN HB2 . . 4.580 4.181 3.998 4.342 . 0 0 "[ . 1 . 2]" 1
1746 1 97 ALA MB 1 98 GLN H . . 3.510 2.338 2.156 2.840 . 0 0 "[ . 1 . 2]" 1
1747 1 97 ALA MB 1 98 GLN HA . . 4.580 3.757 3.655 3.971 . 0 0 "[ . 1 . 2]" 1
1748 1 98 GLN H 1 98 GLN HB3 . . 3.940 3.132 2.860 3.297 . 0 0 "[ . 1 . 2]" 1
1749 1 98 GLN H 1 98 GLN HG2 . . 4.730 4.576 4.472 4.742 0.012 10 0 "[ . 1 . 2]" 1
1750 1 98 GLN H 1 98 GLN HG3 . . 4.900 4.849 4.736 4.919 0.019 12 0 "[ . 1 . 2]" 1
1751 1 98 GLN H 1 99 TYR H . . 4.680 3.179 2.697 3.585 . 0 0 "[ . 1 . 2]" 1
1752 1 98 GLN HA 1 98 GLN HG2 . . 3.980 2.840 2.646 3.137 . 0 0 "[ . 1 . 2]" 1
1753 1 98 GLN HA 1 98 GLN HG3 . . 3.890 2.567 2.353 2.682 . 0 0 "[ . 1 . 2]" 1
1754 1 98 GLN HA 1 99 TYR H . . 3.430 2.377 2.274 2.733 . 0 0 "[ . 1 . 2]" 1
1755 1 98 GLN HB2 1 98 GLN HE22 . . 4.900 4.606 4.197 4.800 . 0 0 "[ . 1 . 2]" 1
1756 1 98 GLN HB2 1 99 TYR H . . 5.230 4.695 4.664 4.728 . 0 0 "[ . 1 . 2]" 1
1757 1 98 GLN HB3 1 98 GLN HE22 . . 4.730 4.636 4.567 4.743 0.013 14 0 "[ . 1 . 2]" 1
1758 1 98 GLN HB3 1 99 TYR H . . 5.150 4.513 4.397 4.581 . 0 0 "[ . 1 . 2]" 1
1759 1 98 GLN HE22 1 98 GLN HG2 . . 4.080 3.777 3.617 3.976 . 0 0 "[ . 1 . 2]" 1
1760 1 98 GLN HG2 1 99 TYR H . . 4.900 4.013 3.647 4.435 . 0 0 "[ . 1 . 2]" 1
1761 1 98 GLN HG3 1 99 TYR H . . 5.150 4.494 4.237 5.167 0.017 17 0 "[ . 1 . 2]" 1
1762 1 99 TYR H 1 99 TYR HB2 . . 4.140 2.250 2.147 2.683 . 0 0 "[ . 1 . 2]" 1
1763 1 99 TYR H 1 99 TYR HB3 . . 4.140 2.580 2.367 3.582 . 0 0 "[ . 1 . 2]" 1
1764 1 99 TYR H 1 99 TYR QD . . 4.960 4.040 3.581 4.090 . 0 0 "[ . 1 . 2]" 1
1765 1 99 TYR H 1 100 ASN H . . 5.500 4.594 4.430 4.671 . 0 0 "[ . 1 . 2]" 1
1766 1 99 TYR HA 1 99 TYR QD . . 3.850 3.100 2.179 3.256 . 0 0 "[ . 1 . 2]" 1
1767 1 99 TYR HA 1 99 TYR QE . . 4.900 4.828 4.349 4.909 0.009 5 0 "[ . 1 . 2]" 1
1768 1 99 TYR HA 1 100 ASN H . . 3.530 2.260 2.187 2.935 . 0 0 "[ . 1 . 2]" 1
1769 1 99 TYR HA 1 100 ASN QB . . 5.500 4.088 3.959 4.673 . 0 0 "[ . 1 . 2]" 1
1770 1 99 TYR HB2 1 100 ASN H . . 5.120 4.286 3.551 4.557 . 0 0 "[ . 1 . 2]" 1
1771 1 99 TYR HB3 1 100 ASN H . . 5.150 4.145 2.411 4.420 . 0 0 "[ . 1 . 2]" 1
1772 1 99 TYR HB3 1 100 ASN HA . . 5.500 4.619 3.723 4.787 . 0 0 "[ . 1 . 2]" 1
1773 1 99 TYR QD 1 100 ASN H . . 4.580 3.436 2.489 3.887 . 0 0 "[ . 1 . 2]" 1
1774 1 99 TYR QD 1 100 ASN HA . . 4.730 3.393 2.875 4.081 . 0 0 "[ . 1 . 2]" 1
1775 1 99 TYR QD 1 101 PRO QD . . 4.580 2.424 1.962 2.677 . 0 0 "[ . 1 . 2]" 1
1776 1 99 TYR QD 1 101 PRO HG2 . . 5.150 4.881 3.991 5.140 . 0 0 "[ . 1 . 2]" 1
1777 1 99 TYR QD 1 101 PRO HG3 . . 4.730 3.561 2.513 3.926 . 0 0 "[ . 1 . 2]" 1
1778 1 99 TYR QE 1 100 ASN H . . 5.330 4.502 3.804 5.131 . 0 0 "[ . 1 . 2]" 1
1779 1 99 TYR QE 1 101 PRO HA . . 3.750 3.105 2.370 3.774 0.024 17 0 "[ . 1 . 2]" 1
1780 1 99 TYR QE 1 101 PRO HB2 . . 4.280 3.970 3.712 4.291 0.011 11 0 "[ . 1 . 2]" 1
1781 1 99 TYR QE 1 101 PRO HB3 . . 4.080 2.305 2.063 2.622 . 0 0 "[ . 1 . 2]" 1
1782 1 99 TYR QE 1 101 PRO QD . . 4.580 3.294 2.816 3.574 . 0 0 "[ . 1 . 2]" 1
1783 1 99 TYR QE 1 101 PRO HG2 . . 4.900 4.440 4.121 4.840 . 0 0 "[ . 1 . 2]" 1
1784 1 99 TYR QE 1 101 PRO HG3 . . 4.280 3.103 2.607 3.593 . 0 0 "[ . 1 . 2]" 1
1785 1 100 ASN H 1 101 PRO QD . . 4.900 3.821 2.222 3.963 . 0 0 "[ . 1 . 2]" 1
1786 1 100 ASN HA 1 100 ASN HD21 . . 4.900 4.265 3.624 4.655 . 0 0 "[ . 1 . 2]" 1
1787 1 100 ASN HA 1 101 PRO QD . . 3.220 1.925 1.899 2.116 . 0 0 "[ . 1 . 2]" 1
1788 1 100 ASN HA 1 101 PRO HG2 . . 4.900 4.421 4.407 4.525 . 0 0 "[ . 1 . 2]" 1
1789 1 100 ASN HA 1 101 PRO HG3 . . 5.150 4.306 4.262 4.615 . 0 0 "[ . 1 . 2]" 1
1790 1 100 ASN QB 1 101 PRO QD . . 5.150 3.516 3.229 3.714 . 0 0 "[ . 1 . 2]" 1
1791 1 100 ASN QB 1 103 VAL HB . . 4.900 4.076 2.991 4.641 . 0 0 "[ . 1 . 2]" 1
1792 1 100 ASN QB 1 103 VAL QG . . 3.890 2.618 1.816 3.164 . 0 0 "[ . 1 . 2]" 1
1793 1 101 PRO HA 1 103 VAL H . . 5.290 3.875 2.975 4.871 . 0 0 "[ . 1 . 2]" 1
1794 1 101 PRO HA 1 103 VAL QG . . 4.900 4.122 3.483 4.729 . 0 0 "[ . 1 . 2]" 1
1795 1 101 PRO QD 1 102 HIS H . . 4.580 3.984 3.863 4.533 . 0 0 "[ . 1 . 2]" 1
1796 1 101 PRO HG2 1 102 HIS H . . 5.040 4.949 3.712 5.094 0.054 5 0 "[ . 1 . 2]" 1
1797 1 102 HIS H 1 102 HIS HD2 . . 5.500 4.938 4.130 5.406 . 0 0 "[ . 1 . 2]" 1
1798 1 102 HIS H 1 103 VAL H . . 4.140 2.485 1.895 2.893 . 0 0 "[ . 1 . 2]" 1
1799 1 102 HIS H 1 103 VAL QG . . 5.260 2.822 2.135 4.593 . 0 0 "[ . 1 . 2]" 1
1800 1 102 HIS HA 1 102 HIS HD2 . . 4.580 3.076 2.001 4.579 . 0 0 "[ . 1 . 2]" 1
1801 1 102 HIS HB3 1 103 VAL H . . 4.530 4.311 2.631 4.547 0.017 14 0 "[ . 1 . 2]" 1
1802 1 103 VAL H 1 103 VAL HB . . 3.680 3.101 2.287 3.732 0.052 5 0 "[ . 1 . 2]" 1
1803 1 103 VAL H 1 103 VAL QG . . 3.470 2.526 1.978 3.062 . 0 0 "[ . 1 . 2]" 1
1804 1 103 VAL H 1 104 HIS H . . 5.190 3.518 1.951 4.659 . 0 0 "[ . 1 . 2]" 1
1805 1 103 VAL HA 1 103 VAL QG . . 3.070 2.223 2.005 2.482 . 0 0 "[ . 1 . 2]" 1
1806 1 103 VAL QG 1 104 HIS HA . . 4.730 3.387 3.076 3.841 . 0 0 "[ . 1 . 2]" 1
1807 1 104 HIS HA 1 104 HIS HD2 . . 4.730 3.657 2.039 4.710 . 0 0 "[ . 1 . 2]" 1
1808 1 105 GLN H 1 105 GLN HG2 . . 4.470 4.164 3.266 4.896 0.426 15 0 "[ . 1 . 2]" 1
1809 1 105 GLN HA 1 105 GLN HG3 . . 3.390 2.826 2.084 3.706 0.316 5 0 "[ . 1 . 2]" 1
1810 1 105 GLN HA 1 106 LEU H . . 3.450 2.359 2.201 2.665 . 0 0 "[ . 1 . 2]" 1
1811 1 105 GLN HB2 1 106 LEU H . . 5.100 4.284 3.743 4.740 . 0 0 "[ . 1 . 2]" 1
1812 1 105 GLN HB3 1 105 GLN HG2 . . 2.750 2.645 2.288 3.055 0.305 5 0 "[ . 1 . 2]" 1
1813 1 105 GLN HB3 1 106 LEU H . . 5.040 3.336 2.268 4.532 . 0 0 "[ . 1 . 2]" 1
1814 1 105 GLN HE22 1 105 GLN HG3 . . 3.940 3.744 3.447 4.151 0.211 19 0 "[ . 1 . 2]" 1
1815 1 106 LEU H 1 106 LEU HB2 . . 3.860 3.013 2.117 3.599 . 0 0 "[ . 1 . 2]" 1
1816 1 106 LEU H 1 106 LEU HB3 . . 4.040 3.499 2.425 4.040 0.000 16 0 "[ . 1 . 2]" 1
1817 1 106 LEU H 1 106 LEU QD . . 4.780 3.544 2.616 4.135 . 0 0 "[ . 1 . 2]" 1
1818 1 106 LEU H 1 106 LEU HG . . 4.580 3.873 2.807 4.521 . 0 0 "[ . 1 . 2]" 1
1819 1 106 LEU HA 1 106 LEU QD . . 3.080 2.415 2.019 2.931 . 0 0 "[ . 1 . 2]" 1
1820 1 106 LEU HA 1 106 LEU HG . . 3.140 2.561 2.134 2.995 . 0 0 "[ . 1 . 2]" 1
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