NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
420078 |
2eea   |
10160 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2eea
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 1548
_Distance_constraint_stats_list.Viol_count 307
_Distance_constraint_stats_list.Viol_total 69.160
_Distance_constraint_stats_list.Viol_max 0.144
_Distance_constraint_stats_list.Viol_rms 0.0022
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0001
_Distance_constraint_stats_list.Viol_average_violations_only 0.0113
_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 7 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 PRO 0.016 0.016 8 0 "[ . 1 . 2]"
1 9 GLU 0.089 0.032 16 0 "[ . 1 . 2]"
1 10 SER 0.073 0.032 16 0 "[ . 1 . 2]"
1 11 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 LEU 0.093 0.025 13 0 "[ . 1 . 2]"
1 13 GLN 0.058 0.025 13 0 "[ . 1 . 2]"
1 14 PHE 0.000 0.000 13 0 "[ . 1 . 2]"
1 15 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 ASN 0.004 0.004 11 0 "[ . 1 . 2]"
1 18 TYR 0.004 0.004 11 0 "[ . 1 . 2]"
1 19 PRO 0.010 0.005 1 0 "[ . 1 . 2]"
1 20 ASN 0.010 0.005 1 0 "[ . 1 . 2]"
1 21 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 SER 0.024 0.022 6 0 "[ . 1 . 2]"
1 24 VAL 0.024 0.022 6 0 "[ . 1 . 2]"
1 25 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 TYR 0.001 0.001 8 0 "[ . 1 . 2]"
1 28 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 PRO 0.003 0.001 4 0 "[ . 1 . 2]"
1 30 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 LEU 0.020 0.008 7 0 "[ . 1 . 2]"
1 32 VAL 0.018 0.005 7 0 "[ . 1 . 2]"
1 33 TYR 0.013 0.005 7 0 "[ . 1 . 2]"
1 34 GLY 0.005 0.004 4 0 "[ . 1 . 2]"
1 35 VAL 0.034 0.015 7 0 "[ . 1 . 2]"
1 36 ALA 0.029 0.008 19 0 "[ . 1 . 2]"
1 37 ASN 0.036 0.008 19 0 "[ . 1 . 2]"
1 38 LYS 0.066 0.018 11 0 "[ . 1 . 2]"
1 39 THR 0.015 0.006 4 0 "[ . 1 . 2]"
1 40 ALA 0.003 0.002 16 0 "[ . 1 . 2]"
1 41 THR 0.068 0.030 7 0 "[ . 1 . 2]"
1 42 PHE 0.011 0.003 8 0 "[ . 1 . 2]"
1 43 THR 0.005 0.001 15 0 "[ . 1 . 2]"
1 44 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 45 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 THR 0.537 0.093 17 0 "[ . 1 . 2]"
1 47 GLU 0.157 0.039 8 0 "[ . 1 . 2]"
1 48 ASP 0.108 0.039 8 0 "[ . 1 . 2]"
1 49 ALA 0.033 0.030 8 0 "[ . 1 . 2]"
1 50 GLY 0.010 0.010 8 0 "[ . 1 . 2]"
1 51 GLU 0.071 0.026 6 0 "[ . 1 . 2]"
1 52 GLY 0.059 0.026 6 0 "[ . 1 . 2]"
1 53 GLY 0.001 0.001 1 0 "[ . 1 . 2]"
1 54 LEU 0.149 0.029 20 0 "[ . 1 . 2]"
1 55 ASP 0.028 0.015 2 0 "[ . 1 . 2]"
1 56 LEU 0.015 0.007 10 0 "[ . 1 . 2]"
1 57 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 58 ILE 0.013 0.010 17 0 "[ . 1 . 2]"
1 59 GLU 0.023 0.010 17 0 "[ . 1 . 2]"
1 60 GLY 0.089 0.031 11 0 "[ . 1 . 2]"
1 61 PRO 0.311 0.144 16 0 "[ . 1 . 2]"
1 62 SER 0.404 0.144 16 0 "[ . 1 . 2]"
1 63 LYS 0.001 0.001 8 0 "[ . 1 . 2]"
1 64 ALA 0.009 0.006 20 0 "[ . 1 . 2]"
1 65 GLU 0.005 0.004 14 0 "[ . 1 . 2]"
1 66 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 67 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 68 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 69 ILE 0.001 0.001 6 0 "[ . 1 . 2]"
1 70 ASP 0.013 0.007 6 0 "[ . 1 . 2]"
1 71 ASN 0.013 0.007 6 0 "[ . 1 . 2]"
1 72 LYS 0.121 0.077 13 0 "[ . 1 . 2]"
1 73 ASP 0.036 0.017 6 0 "[ . 1 . 2]"
1 74 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 75 THR 0.020 0.017 6 0 "[ . 1 . 2]"
1 76 CYS 0.007 0.005 6 0 "[ . 1 . 2]"
1 77 THR 0.009 0.005 6 0 "[ . 1 . 2]"
1 78 VAL 0.001 0.001 10 0 "[ . 1 . 2]"
1 79 THR 0.064 0.012 10 0 "[ . 1 . 2]"
1 80 TYR 0.070 0.012 10 0 "[ . 1 . 2]"
1 81 LEU 0.005 0.004 14 0 "[ . 1 . 2]"
1 82 PRO 0.001 0.001 9 0 "[ . 1 . 2]"
1 83 THR 0.022 0.010 15 0 "[ . 1 . 2]"
1 84 LEU 0.005 0.002 4 0 "[ . 1 . 2]"
1 85 PRO 0.020 0.005 19 0 "[ . 1 . 2]"
1 86 GLY 0.010 0.004 11 0 "[ . 1 . 2]"
1 87 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 88 TYR 0.009 0.004 13 0 "[ . 1 . 2]"
1 89 SER 0.008 0.004 15 0 "[ . 1 . 2]"
1 90 ILE 0.018 0.004 15 0 "[ . 1 . 2]"
1 91 LEU 0.013 0.004 19 0 "[ . 1 . 2]"
1 92 VAL 0.009 0.007 4 0 "[ . 1 . 2]"
1 93 LYS 0.196 0.135 14 0 "[ . 1 . 2]"
1 94 TYR 0.033 0.013 13 0 "[ . 1 . 2]"
1 95 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 96 ASP 0.022 0.011 14 0 "[ . 1 . 2]"
1 97 LYS 0.111 0.027 8 0 "[ . 1 . 2]"
1 98 HIS 0.051 0.016 13 0 "[ . 1 . 2]"
1 99 ILE 0.076 0.017 13 0 "[ . 1 . 2]"
1 100 PRO 0.007 0.004 19 0 "[ . 1 . 2]"
1 101 GLY 0.053 0.022 13 0 "[ . 1 . 2]"
1 102 SER 0.801 0.079 20 0 "[ . 1 . 2]"
1 103 PRO 0.062 0.034 15 0 "[ . 1 . 2]"
1 104 PHE 0.121 0.034 15 0 "[ . 1 . 2]"
1 105 THR 0.011 0.003 17 0 "[ . 1 . 2]"
1 106 ALA 0.006 0.004 13 0 "[ . 1 . 2]"
1 107 LYS 0.012 0.004 13 0 "[ . 1 . 2]"
1 108 ILE 0.113 0.050 15 0 "[ . 1 . 2]"
1 109 THR 0.059 0.050 15 0 "[ . 1 . 2]"
1 110 ASP 0.015 0.007 7 0 "[ . 1 . 2]"
1 111 ASP 0.021 0.008 19 0 "[ . 1 . 2]"
1 112 SER 0.014 0.008 19 0 "[ . 1 . 2]"
1 113 ARG 0.011 0.010 2 0 "[ . 1 . 2]"
1 114 ARG 0.024 0.022 12 0 "[ . 1 . 2]"
1 115 CYS 0.024 0.022 12 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 7 GLY QA 1 8 PRO HD2 . . 3.310 2.125 1.954 2.500 . 0 0 "[ . 1 . 2]" 1
2 1 7 GLY QA 1 8 PRO HD3 . . 3.310 2.609 2.240 3.033 . 0 0 "[ . 1 . 2]" 1
3 1 8 PRO HA 1 9 GLU H . . 3.350 2.437 2.151 3.366 0.016 8 0 "[ . 1 . 2]" 1
4 1 8 PRO QB 1 9 GLU H . . 4.120 2.951 2.099 3.818 . 0 0 "[ . 1 . 2]" 1
5 1 8 PRO QG 1 9 GLU H . . 5.350 4.221 3.066 4.740 . 0 0 "[ . 1 . 2]" 1
6 1 9 GLU H 1 9 GLU QB . . 3.690 2.701 2.225 3.373 . 0 0 "[ . 1 . 2]" 1
7 1 9 GLU H 1 9 GLU QG . . 5.070 3.194 2.121 4.329 . 0 0 "[ . 1 . 2]" 1
8 1 9 GLU H 1 10 SER H . . 4.370 4.113 2.062 4.402 0.032 16 0 "[ . 1 . 2]" 1
9 1 9 GLU HA 1 9 GLU QG . . 3.640 2.699 2.182 3.488 . 0 0 "[ . 1 . 2]" 1
10 1 9 GLU HA 1 10 SER H . . 3.390 2.309 2.139 3.394 0.004 2 0 "[ . 1 . 2]" 1
11 1 9 GLU HA 1 10 SER HA . . 4.480 4.424 4.329 4.497 0.017 2 0 "[ . 1 . 2]" 1
12 1 9 GLU QB 1 10 SER H . . 4.840 3.298 2.112 3.994 . 0 0 "[ . 1 . 2]" 1
13 1 10 SER H 1 10 SER QB . . 3.670 2.720 2.294 3.191 . 0 0 "[ . 1 . 2]" 1
14 1 10 SER HA 1 11 PRO HD2 . . 3.270 2.238 1.986 2.420 . 0 0 "[ . 1 . 2]" 1
15 1 10 SER HA 1 11 PRO HD3 . . 3.270 2.344 2.251 2.806 . 0 0 "[ . 1 . 2]" 1
16 1 11 PRO HA 1 12 LEU H . . 3.060 2.337 2.160 2.696 . 0 0 "[ . 1 . 2]" 1
17 1 11 PRO QB 1 12 LEU H . . 4.660 2.979 1.939 3.743 . 0 0 "[ . 1 . 2]" 1
18 1 12 LEU H 1 12 LEU HB2 . . 3.920 3.013 2.243 3.820 . 0 0 "[ . 1 . 2]" 1
19 1 12 LEU H 1 12 LEU HB3 . . 3.920 3.381 2.334 3.940 0.020 1 0 "[ . 1 . 2]" 1
20 1 12 LEU H 1 12 LEU QD . . 4.380 3.123 1.852 3.868 . 0 0 "[ . 1 . 2]" 1
21 1 12 LEU H 1 12 LEU HG . . 4.180 3.223 2.207 4.189 0.009 13 0 "[ . 1 . 2]" 1
22 1 12 LEU HA 1 12 LEU MD1 . . 4.140 3.502 2.168 4.111 . 0 0 "[ . 1 . 2]" 1
23 1 12 LEU HA 1 12 LEU QD . . 3.380 2.594 1.996 3.385 0.005 19 0 "[ . 1 . 2]" 1
24 1 12 LEU HA 1 12 LEU MD2 . . 4.140 3.067 2.002 4.099 . 0 0 "[ . 1 . 2]" 1
25 1 12 LEU HA 1 13 GLN H . . 3.110 2.358 2.144 3.118 0.008 3 0 "[ . 1 . 2]" 1
26 1 12 LEU HB2 1 13 GLN H . . 4.440 3.790 2.631 4.447 0.007 2 0 "[ . 1 . 2]" 1
27 1 12 LEU HB3 1 13 GLN H . . 4.440 3.498 2.269 4.465 0.025 13 0 "[ . 1 . 2]" 1
28 1 12 LEU HG 1 13 GLN H . . 5.110 4.383 2.664 5.117 0.007 2 0 "[ . 1 . 2]" 1
29 1 13 GLN H 1 13 GLN QB . . 3.380 2.547 2.140 3.345 . 0 0 "[ . 1 . 2]" 1
30 1 13 GLN H 1 13 GLN QG . . 4.010 3.177 1.913 3.985 . 0 0 "[ . 1 . 2]" 1
31 1 13 GLN HA 1 13 GLN QG . . 3.980 2.575 2.187 3.407 . 0 0 "[ . 1 . 2]" 1
32 1 13 GLN HA 1 14 PHE H . . 3.290 2.318 2.141 2.839 . 0 0 "[ . 1 . 2]" 1
33 1 13 GLN QB 1 14 PHE H . . 4.140 3.205 1.973 3.947 . 0 0 "[ . 1 . 2]" 1
34 1 14 PHE H 1 14 PHE HB2 . . 3.990 2.997 2.373 3.990 0.000 13 0 "[ . 1 . 2]" 1
35 1 14 PHE H 1 14 PHE QB . . 3.460 2.665 2.249 3.397 . 0 0 "[ . 1 . 2]" 1
36 1 14 PHE H 1 14 PHE HB3 . . 3.990 3.385 2.340 3.832 . 0 0 "[ . 1 . 2]" 1
37 1 14 PHE HA 1 14 PHE QD . . 4.350 2.901 2.169 3.718 . 0 0 "[ . 1 . 2]" 1
38 1 14 PHE HA 1 15 TYR H . . 3.090 2.310 2.144 2.602 . 0 0 "[ . 1 . 2]" 1
39 1 14 PHE QB 1 15 TYR H . . 3.880 2.906 2.005 3.708 . 0 0 "[ . 1 . 2]" 1
40 1 15 TYR H 1 15 TYR QB . . 3.450 2.613 2.223 3.242 . 0 0 "[ . 1 . 2]" 1
41 1 15 TYR H 1 15 TYR QD . . 4.160 3.090 2.153 4.154 . 0 0 "[ . 1 . 2]" 1
42 1 15 TYR HA 1 15 TYR QD . . 3.740 2.929 2.100 3.733 . 0 0 "[ . 1 . 2]" 1
43 1 15 TYR HA 1 16 VAL H . . 3.050 2.342 2.138 2.775 . 0 0 "[ . 1 . 2]" 1
44 1 15 TYR QB 1 16 VAL H . . 3.980 3.247 2.197 3.905 . 0 0 "[ . 1 . 2]" 1
45 1 15 TYR HB2 1 16 VAL H . . 4.670 3.861 2.221 4.583 . 0 0 "[ . 1 . 2]" 1
46 1 15 TYR HB3 1 16 VAL H . . 4.670 3.726 2.475 4.522 . 0 0 "[ . 1 . 2]" 1
47 1 16 VAL H 1 16 VAL HB . . 3.860 3.217 2.385 3.809 . 0 0 "[ . 1 . 2]" 1
48 1 16 VAL H 1 16 VAL MG1 . . 4.360 3.133 1.951 3.872 . 0 0 "[ . 1 . 2]" 1
49 1 16 VAL H 1 16 VAL QG . . 3.550 2.107 1.864 2.678 . 0 0 "[ . 1 . 2]" 1
50 1 16 VAL H 1 16 VAL MG2 . . 4.360 2.247 1.911 3.809 . 0 0 "[ . 1 . 2]" 1
51 1 16 VAL H 1 17 ASN H . . 4.630 4.439 3.746 4.604 . 0 0 "[ . 1 . 2]" 1
52 1 16 VAL HA 1 17 ASN H . . 3.310 2.207 2.141 2.475 . 0 0 "[ . 1 . 2]" 1
53 1 16 VAL HB 1 17 ASN H . . 4.200 3.544 2.235 4.193 . 0 0 "[ . 1 . 2]" 1
54 1 16 VAL HB 1 18 TYR QE . . 4.290 3.680 2.725 4.239 . 0 0 "[ . 1 . 2]" 1
55 1 16 VAL QG 1 18 TYR QE . . 4.160 3.010 1.798 3.985 . 0 0 "[ . 1 . 2]" 1
56 1 17 ASN H 1 17 ASN QB . . 3.640 2.619 2.201 3.223 . 0 0 "[ . 1 . 2]" 1
57 1 17 ASN HA 1 18 TYR H . . 3.090 2.339 2.140 2.980 . 0 0 "[ . 1 . 2]" 1
58 1 17 ASN QB 1 18 TYR H . . 3.830 3.212 2.134 3.834 0.004 11 0 "[ . 1 . 2]" 1
59 1 17 ASN HB2 1 18 TYR H . . 4.370 3.824 2.228 4.296 . 0 0 "[ . 1 . 2]" 1
60 1 17 ASN HB3 1 18 TYR H . . 4.370 3.629 2.150 4.343 . 0 0 "[ . 1 . 2]" 1
61 1 18 TYR H 1 18 TYR HB2 . . 3.920 3.067 2.271 3.916 . 0 0 "[ . 1 . 2]" 1
62 1 18 TYR H 1 18 TYR QB . . 3.290 2.820 2.245 3.290 0.000 10 0 "[ . 1 . 2]" 1
63 1 18 TYR H 1 18 TYR HB3 . . 3.920 3.647 2.659 3.914 . 0 0 "[ . 1 . 2]" 1
64 1 18 TYR H 1 18 TYR QD . . 4.190 3.140 2.292 3.968 . 0 0 "[ . 1 . 2]" 1
65 1 18 TYR HA 1 19 PRO HD2 . . 3.530 2.318 2.146 2.445 . 0 0 "[ . 1 . 2]" 1
66 1 18 TYR HA 1 19 PRO QD . . 3.070 2.044 1.955 2.115 . 0 0 "[ . 1 . 2]" 1
67 1 18 TYR HA 1 19 PRO HD3 . . 3.530 2.275 2.252 2.316 . 0 0 "[ . 1 . 2]" 1
68 1 18 TYR QB 1 19 PRO QD . . 3.550 2.175 1.972 2.579 . 0 0 "[ . 1 . 2]" 1
69 1 18 TYR HB2 1 19 PRO HD2 . . 4.800 3.231 2.081 3.786 . 0 0 "[ . 1 . 2]" 1
70 1 18 TYR HB2 1 19 PRO HD3 . . 4.800 4.400 3.520 4.796 . 0 0 "[ . 1 . 2]" 1
71 1 18 TYR HB3 1 19 PRO HD2 . . 4.800 2.492 2.002 3.520 . 0 0 "[ . 1 . 2]" 1
72 1 18 TYR HB3 1 19 PRO HD3 . . 4.800 3.780 3.411 4.467 . 0 0 "[ . 1 . 2]" 1
73 1 18 TYR QD 1 19 PRO QD . . 4.450 3.273 2.066 4.262 . 0 0 "[ . 1 . 2]" 1
74 1 19 PRO HA 1 20 ASN H . . 3.490 2.760 2.151 3.495 0.005 1 0 "[ . 1 . 2]" 1
75 1 20 ASN H 1 21 SER H . . 5.280 4.120 3.012 4.600 . 0 0 "[ . 1 . 2]" 1
76 1 20 ASN HA 1 21 SER H . . 3.570 2.482 2.141 3.563 . 0 0 "[ . 1 . 2]" 1
77 1 21 SER H 1 22 GLY H . . 4.830 4.054 2.373 4.619 . 0 0 "[ . 1 . 2]" 1
78 1 22 GLY H 1 23 SER H . . 4.300 3.697 2.493 4.295 . 0 0 "[ . 1 . 2]" 1
79 1 22 GLY QA 1 23 SER H . . 3.270 2.228 2.109 2.464 . 0 0 "[ . 1 . 2]" 1
80 1 23 SER H 1 23 SER HB2 . . 3.950 3.415 2.620 3.941 . 0 0 "[ . 1 . 2]" 1
81 1 23 SER H 1 23 SER QB . . 3.420 2.922 2.573 3.294 . 0 0 "[ . 1 . 2]" 1
82 1 23 SER H 1 23 SER HB3 . . 3.950 3.394 2.895 3.874 . 0 0 "[ . 1 . 2]" 1
83 1 23 SER H 1 24 VAL H . . 4.440 4.393 4.300 4.462 0.022 6 0 "[ . 1 . 2]" 1
84 1 23 SER HA 1 24 VAL H . . 2.880 2.436 2.253 2.644 . 0 0 "[ . 1 . 2]" 1
85 1 23 SER HA 1 24 VAL MG2 . . 4.150 3.441 3.239 3.675 . 0 0 "[ . 1 . 2]" 1
86 1 23 SER QB 1 24 VAL H . . 3.390 2.576 2.057 3.382 . 0 0 "[ . 1 . 2]" 1
87 1 23 SER HB2 1 24 VAL H . . 3.990 3.137 2.071 3.986 . 0 0 "[ . 1 . 2]" 1
88 1 23 SER HB3 1 24 VAL H . . 3.990 3.275 2.200 3.986 . 0 0 "[ . 1 . 2]" 1
89 1 24 VAL H 1 24 VAL HB . . 3.340 2.586 2.466 2.675 . 0 0 "[ . 1 . 2]" 1
90 1 24 VAL H 1 24 VAL MG1 . . 4.000 3.821 3.766 3.869 . 0 0 "[ . 1 . 2]" 1
91 1 24 VAL H 1 24 VAL MG2 . . 3.540 2.630 2.000 2.969 . 0 0 "[ . 1 . 2]" 1
92 1 24 VAL H 1 25 SER H . . 5.020 4.432 4.245 4.593 . 0 0 "[ . 1 . 2]" 1
93 1 24 VAL HA 1 24 VAL MG1 . . 3.680 2.362 2.238 2.450 . 0 0 "[ . 1 . 2]" 1
94 1 24 VAL HA 1 25 SER H . . 3.030 2.176 2.140 2.282 . 0 0 "[ . 1 . 2]" 1
95 1 24 VAL HB 1 25 SER H . . 4.510 4.120 3.802 4.328 . 0 0 "[ . 1 . 2]" 1
96 1 24 VAL HB 1 99 ILE MG . . 3.600 2.483 1.998 2.998 . 0 0 "[ . 1 . 2]" 1
97 1 24 VAL MG1 1 25 SER H . . 3.630 2.370 1.900 2.977 . 0 0 "[ . 1 . 2]" 1
98 1 24 VAL MG1 1 25 SER HA . . 4.760 3.550 3.215 3.905 . 0 0 "[ . 1 . 2]" 1
99 1 24 VAL MG1 1 46 THR HA . . 4.470 3.480 2.523 4.375 . 0 0 "[ . 1 . 2]" 1
100 1 24 VAL MG1 1 99 ILE MG . . 3.450 2.480 1.937 3.390 . 0 0 "[ . 1 . 2]" 1
101 1 24 VAL MG2 1 25 SER H . . 4.300 4.001 3.849 4.237 . 0 0 "[ . 1 . 2]" 1
102 1 24 VAL MG2 1 46 THR HA . . 4.350 3.011 2.214 4.250 . 0 0 "[ . 1 . 2]" 1
103 1 24 VAL MG2 1 46 THR HB . . 5.500 4.518 2.329 5.498 . 0 0 "[ . 1 . 2]" 1
104 1 24 VAL MG2 1 49 ALA HA . . 5.500 4.092 2.315 5.194 . 0 0 "[ . 1 . 2]" 1
105 1 24 VAL MG2 1 49 ALA MB . . 3.780 2.501 1.848 3.580 . 0 0 "[ . 1 . 2]" 1
106 1 24 VAL MG2 1 94 TYR HB2 . . 4.620 3.943 3.235 4.569 . 0 0 "[ . 1 . 2]" 1
107 1 24 VAL MG2 1 94 TYR HB3 . . 4.620 3.947 3.268 4.368 . 0 0 "[ . 1 . 2]" 1
108 1 24 VAL MG2 1 94 TYR QD . . 4.200 3.120 2.078 3.934 . 0 0 "[ . 1 . 2]" 1
109 1 24 VAL MG2 1 94 TYR QE . . 4.500 3.351 2.459 4.391 . 0 0 "[ . 1 . 2]" 1
110 1 24 VAL MG2 1 99 ILE MG . . 3.990 3.523 2.947 3.984 . 0 0 "[ . 1 . 2]" 1
111 1 25 SER H 1 26 ALA H . . 4.890 4.388 4.232 4.506 . 0 0 "[ . 1 . 2]" 1
112 1 25 SER H 1 45 VAL H . . 4.030 3.405 2.815 3.945 . 0 0 "[ . 1 . 2]" 1
113 1 25 SER H 1 45 VAL HB . . 4.390 2.885 2.057 4.365 . 0 0 "[ . 1 . 2]" 1
114 1 25 SER H 1 45 VAL MG1 . . 4.890 3.716 1.730 4.885 . 0 0 "[ . 1 . 2]" 1
115 1 25 SER H 1 45 VAL QG . . 4.270 3.286 1.729 3.986 . 0 0 "[ . 1 . 2]" 1
116 1 25 SER H 1 45 VAL MG2 . . 4.890 3.931 3.134 4.494 . 0 0 "[ . 1 . 2]" 1
117 1 25 SER HA 1 26 ALA H . . 3.040 2.256 2.158 2.482 . 0 0 "[ . 1 . 2]" 1
118 1 25 SER HA 1 99 ILE MD . . 4.100 3.870 3.211 4.098 . 0 0 "[ . 1 . 2]" 1
119 1 25 SER QB 1 26 ALA H . . 3.190 2.892 2.272 3.187 . 0 0 "[ . 1 . 2]" 1
120 1 25 SER QB 1 27 TYR QD . . 4.830 3.647 3.206 4.447 . 0 0 "[ . 1 . 2]" 1
121 1 25 SER QB 1 45 VAL HB . . 4.270 3.342 2.551 4.163 . 0 0 "[ . 1 . 2]" 1
122 1 25 SER QB 1 45 VAL QG . . 3.480 2.994 2.120 3.478 . 0 0 "[ . 1 . 2]" 1
123 1 26 ALA H 1 26 ALA MB . . 3.460 2.414 2.231 2.647 . 0 0 "[ . 1 . 2]" 1
124 1 26 ALA H 1 27 TYR H . . 4.800 4.364 4.181 4.456 . 0 0 "[ . 1 . 2]" 1
125 1 26 ALA H 1 99 ILE MD . . 3.990 3.609 3.086 3.921 . 0 0 "[ . 1 . 2]" 1
126 1 26 ALA HA 1 27 TYR H . . 2.990 2.158 2.148 2.186 . 0 0 "[ . 1 . 2]" 1
127 1 26 ALA HA 1 27 TYR QD . . 4.780 3.525 3.041 4.375 . 0 0 "[ . 1 . 2]" 1
128 1 26 ALA HA 1 44 ILE HA . . 3.750 2.571 2.304 2.794 . 0 0 "[ . 1 . 2]" 1
129 1 26 ALA HA 1 44 ILE QG . . 4.460 2.936 2.045 3.640 . 0 0 "[ . 1 . 2]" 1
130 1 26 ALA HA 1 44 ILE MG . . 4.670 3.135 2.477 3.689 . 0 0 "[ . 1 . 2]" 1
131 1 26 ALA HA 1 45 VAL H . . 4.040 3.598 2.850 4.008 . 0 0 "[ . 1 . 2]" 1
132 1 26 ALA MB 1 27 TYR H . . 3.500 3.095 2.952 3.170 . 0 0 "[ . 1 . 2]" 1
133 1 26 ALA MB 1 31 LEU MD1 . . 3.270 2.017 1.764 2.435 . 0 0 "[ . 1 . 2]" 1
134 1 26 ALA MB 1 31 LEU MD2 . . 3.830 3.248 2.815 3.814 . 0 0 "[ . 1 . 2]" 1
135 1 26 ALA MB 1 42 PHE QD . . 4.090 3.163 2.711 3.503 . 0 0 "[ . 1 . 2]" 1
136 1 26 ALA MB 1 42 PHE QE . . 4.180 3.558 3.034 3.969 . 0 0 "[ . 1 . 2]" 1
137 1 26 ALA MB 1 44 ILE HA . . 4.000 3.630 2.963 3.982 . 0 0 "[ . 1 . 2]" 1
138 1 26 ALA MB 1 44 ILE QG . . 3.120 2.358 1.970 2.890 . 0 0 "[ . 1 . 2]" 1
139 1 26 ALA MB 1 45 VAL H . . 5.320 4.698 3.832 5.088 . 0 0 "[ . 1 . 2]" 1
140 1 26 ALA MB 1 99 ILE MD . . 3.200 2.640 2.266 2.844 . 0 0 "[ . 1 . 2]" 1
141 1 26 ALA MB 1 104 PHE QD . . 4.280 3.935 3.643 4.279 . 0 0 "[ . 1 . 2]" 1
142 1 26 ALA MB 1 104 PHE QE . . 4.230 2.691 2.191 3.350 . 0 0 "[ . 1 . 2]" 1
143 1 27 TYR H 1 27 TYR QD . . 4.030 2.743 2.270 3.263 . 0 0 "[ . 1 . 2]" 1
144 1 27 TYR H 1 27 TYR QE . . 4.440 4.305 4.093 4.435 . 0 0 "[ . 1 . 2]" 1
145 1 27 TYR H 1 28 GLY H . . 4.810 4.364 4.290 4.417 . 0 0 "[ . 1 . 2]" 1
146 1 27 TYR H 1 31 LEU MD1 . . 4.000 2.998 2.558 3.289 . 0 0 "[ . 1 . 2]" 1
147 1 27 TYR H 1 42 PHE QB . . 4.710 3.784 3.404 4.130 . 0 0 "[ . 1 . 2]" 1
148 1 27 TYR H 1 43 THR H . . 4.120 3.790 3.416 4.100 . 0 0 "[ . 1 . 2]" 1
149 1 27 TYR H 1 43 THR HB . . 4.610 4.357 4.018 4.611 0.001 8 0 "[ . 1 . 2]" 1
150 1 27 TYR H 1 44 ILE HA . . 4.110 3.401 2.933 3.763 . 0 0 "[ . 1 . 2]" 1
151 1 27 TYR H 1 44 ILE MG . . 5.370 4.703 4.130 5.239 . 0 0 "[ . 1 . 2]" 1
152 1 27 TYR HA 1 28 GLY H . . 3.210 2.315 2.192 2.435 . 0 0 "[ . 1 . 2]" 1
153 1 27 TYR HA 1 31 LEU MD1 . . 3.750 2.422 1.945 3.116 . 0 0 "[ . 1 . 2]" 1
154 1 27 TYR QB 1 28 GLY H . . 3.260 2.674 2.364 2.991 . 0 0 "[ . 1 . 2]" 1
155 1 27 TYR HB2 1 28 GLY H . . 4.120 2.722 2.392 3.075 . 0 0 "[ . 1 . 2]" 1
156 1 27 TYR HB3 1 28 GLY H . . 4.120 3.962 3.709 4.119 . 0 0 "[ . 1 . 2]" 1
157 1 27 TYR QD 1 28 GLY H . . 4.050 3.542 2.969 4.035 . 0 0 "[ . 1 . 2]" 1
158 1 27 TYR QD 1 28 GLY HA2 . . 4.610 3.371 2.908 3.613 . 0 0 "[ . 1 . 2]" 1
159 1 27 TYR QD 1 28 GLY QA . . 3.920 3.258 2.815 3.487 . 0 0 "[ . 1 . 2]" 1
160 1 27 TYR QD 1 28 GLY HA3 . . 4.610 4.336 3.508 4.591 . 0 0 "[ . 1 . 2]" 1
161 1 27 TYR QD 1 43 THR HB . . 4.530 3.919 3.222 4.470 . 0 0 "[ . 1 . 2]" 1
162 1 27 TYR QD 1 45 VAL QG . . 3.710 3.226 2.680 3.568 . 0 0 "[ . 1 . 2]" 1
163 1 27 TYR QE 1 43 THR HB . . 4.220 3.076 2.280 3.842 . 0 0 "[ . 1 . 2]" 1
164 1 27 TYR QE 1 45 VAL QG . . 3.020 2.204 1.867 2.955 . 0 0 "[ . 1 . 2]" 1
165 1 28 GLY H 1 29 PRO HD2 . . 4.910 4.789 4.756 4.813 . 0 0 "[ . 1 . 2]" 1
166 1 28 GLY H 1 29 PRO HD3 . . 4.720 4.642 4.538 4.715 . 0 0 "[ . 1 . 2]" 1
167 1 28 GLY H 1 31 LEU MD1 . . 3.920 3.230 2.802 3.647 . 0 0 "[ . 1 . 2]" 1
168 1 28 GLY QA 1 29 PRO QB . . 4.850 4.269 4.269 4.271 . 0 0 "[ . 1 . 2]" 1
169 1 28 GLY QA 1 29 PRO HD2 . . 3.220 2.234 2.211 2.239 . 0 0 "[ . 1 . 2]" 1
170 1 28 GLY QA 1 29 PRO HD3 . . 3.280 2.299 2.257 2.347 . 0 0 "[ . 1 . 2]" 1
171 1 28 GLY QA 1 29 PRO HG2 . . 4.660 4.066 4.062 4.067 . 0 0 "[ . 1 . 2]" 1
172 1 28 GLY QA 1 29 PRO HG3 . . 4.510 4.242 4.220 4.260 . 0 0 "[ . 1 . 2]" 1
173 1 28 GLY QA 1 30 GLY H . . 4.530 2.893 2.872 2.942 . 0 0 "[ . 1 . 2]" 1
174 1 28 GLY QA 1 31 LEU H . . 4.950 3.698 3.555 3.780 . 0 0 "[ . 1 . 2]" 1
175 1 28 GLY QA 1 43 THR H . . 3.710 2.814 2.434 3.116 . 0 0 "[ . 1 . 2]" 1
176 1 28 GLY HA2 1 29 PRO HD2 . . 3.750 2.485 2.358 2.606 . 0 0 "[ . 1 . 2]" 1
177 1 28 GLY HA2 1 29 PRO HD3 . . 3.740 2.337 2.284 2.401 . 0 0 "[ . 1 . 2]" 1
178 1 28 GLY HA3 1 29 PRO HD2 . . 3.750 2.541 2.423 2.674 . 0 0 "[ . 1 . 2]" 1
179 1 28 GLY HA3 1 29 PRO HD3 . . 3.740 3.422 3.310 3.539 . 0 0 "[ . 1 . 2]" 1
180 1 29 PRO HA 1 31 LEU H . . 4.720 4.014 3.863 4.246 . 0 0 "[ . 1 . 2]" 1
181 1 29 PRO HA 1 32 VAL H . . 4.060 3.693 3.449 4.053 . 0 0 "[ . 1 . 2]" 1
182 1 29 PRO HA 1 32 VAL HB . . 4.300 3.133 2.801 3.497 . 0 0 "[ . 1 . 2]" 1
183 1 29 PRO HA 1 32 VAL MG1 . . 4.770 4.465 4.163 4.771 0.001 4 0 "[ . 1 . 2]" 1
184 1 29 PRO HA 1 32 VAL MG2 . . 4.090 3.424 3.007 3.957 . 0 0 "[ . 1 . 2]" 1
185 1 29 PRO HA 1 33 TYR H . . 4.020 3.912 3.729 4.021 0.001 15 0 "[ . 1 . 2]" 1
186 1 29 PRO QB 1 30 GLY H . . 3.860 3.659 3.572 3.700 . 0 0 "[ . 1 . 2]" 1
187 1 29 PRO HB2 1 30 GLY H . . 4.530 3.887 3.779 3.939 . 0 0 "[ . 1 . 2]" 1
188 1 29 PRO HB3 1 30 GLY H . . 4.530 4.462 4.401 4.492 . 0 0 "[ . 1 . 2]" 1
189 1 29 PRO HD2 1 30 GLY H . . 4.630 2.932 2.823 2.991 . 0 0 "[ . 1 . 2]" 1
190 1 29 PRO HD2 1 42 PHE HA . . 3.820 3.039 2.582 3.279 . 0 0 "[ . 1 . 2]" 1
191 1 29 PRO HD3 1 30 GLY H . . 4.220 3.995 3.938 4.026 . 0 0 "[ . 1 . 2]" 1
192 1 29 PRO HD3 1 42 PHE HA . . 4.880 4.671 4.233 4.881 0.001 7 0 "[ . 1 . 2]" 1
193 1 29 PRO HG2 1 30 GLY H . . 3.670 3.199 3.010 3.293 . 0 0 "[ . 1 . 2]" 1
194 1 29 PRO HG2 1 30 GLY QA . . 4.990 3.968 3.901 4.003 . 0 0 "[ . 1 . 2]" 1
195 1 29 PRO HG3 1 30 GLY H . . 4.580 4.506 4.362 4.578 . 0 0 "[ . 1 . 2]" 1
196 1 30 GLY H 1 31 LEU H . . 3.530 2.254 2.142 2.378 . 0 0 "[ . 1 . 2]" 1
197 1 30 GLY H 1 31 LEU HA . . 5.310 4.922 4.794 5.050 . 0 0 "[ . 1 . 2]" 1
198 1 30 GLY H 1 31 LEU HB2 . . 4.780 4.521 4.243 4.724 . 0 0 "[ . 1 . 2]" 1
199 1 30 GLY H 1 40 ALA MB . . 4.730 4.564 4.305 4.729 . 0 0 "[ . 1 . 2]" 1
200 1 30 GLY H 1 42 PHE HA . . 4.510 3.587 3.358 3.801 . 0 0 "[ . 1 . 2]" 1
201 1 30 GLY H 1 42 PHE HB2 . . 4.760 4.184 3.647 4.627 . 0 0 "[ . 1 . 2]" 1
202 1 30 GLY H 1 42 PHE QB . . 3.930 2.753 2.469 3.145 . 0 0 "[ . 1 . 2]" 1
203 1 30 GLY H 1 42 PHE HB3 . . 4.760 2.794 2.491 3.216 . 0 0 "[ . 1 . 2]" 1
204 1 30 GLY QA 1 32 VAL H . . 4.600 4.303 3.949 4.599 . 0 0 "[ . 1 . 2]" 1
205 1 30 GLY QA 1 33 TYR H . . 4.740 3.926 3.753 4.052 . 0 0 "[ . 1 . 2]" 1
206 1 30 GLY QA 1 41 THR H . . 4.080 3.538 2.948 4.058 . 0 0 "[ . 1 . 2]" 1
207 1 30 GLY HA2 1 40 ALA MB . . 3.640 2.335 2.011 2.613 . 0 0 "[ . 1 . 2]" 1
208 1 30 GLY HA2 1 41 THR H . . 4.920 4.353 3.731 4.896 . 0 0 "[ . 1 . 2]" 1
209 1 30 GLY HA3 1 40 ALA MB . . 3.640 2.892 2.578 3.185 . 0 0 "[ . 1 . 2]" 1
210 1 30 GLY HA3 1 41 THR H . . 4.920 3.748 3.078 4.333 . 0 0 "[ . 1 . 2]" 1
211 1 31 LEU H 1 31 LEU HB2 . . 3.480 2.520 2.331 2.602 . 0 0 "[ . 1 . 2]" 1
212 1 31 LEU H 1 31 LEU HB3 . . 3.670 3.649 3.586 3.678 0.008 7 0 "[ . 1 . 2]" 1
213 1 31 LEU H 1 31 LEU MD1 . . 3.890 3.613 3.415 3.787 . 0 0 "[ . 1 . 2]" 1
214 1 31 LEU H 1 31 LEU MD2 . . 4.090 3.643 3.364 3.942 . 0 0 "[ . 1 . 2]" 1
215 1 31 LEU H 1 31 LEU HG . . 3.450 2.504 2.261 2.901 . 0 0 "[ . 1 . 2]" 1
216 1 31 LEU H 1 32 VAL H . . 3.280 2.270 2.119 2.449 . 0 0 "[ . 1 . 2]" 1
217 1 31 LEU H 1 32 VAL HA . . 5.130 4.937 4.805 5.066 . 0 0 "[ . 1 . 2]" 1
218 1 31 LEU H 1 32 VAL HB . . 4.560 4.459 4.363 4.561 0.001 13 0 "[ . 1 . 2]" 1
219 1 31 LEU H 1 33 TYR H . . 4.090 3.876 3.677 4.068 . 0 0 "[ . 1 . 2]" 1
220 1 31 LEU H 1 42 PHE HB2 . . 4.580 4.287 3.906 4.538 . 0 0 "[ . 1 . 2]" 1
221 1 31 LEU H 1 42 PHE QB . . 3.940 3.033 2.759 3.460 . 0 0 "[ . 1 . 2]" 1
222 1 31 LEU H 1 42 PHE HB3 . . 4.580 3.105 2.821 3.589 . 0 0 "[ . 1 . 2]" 1
223 1 31 LEU HA 1 31 LEU MD1 . . 4.280 3.922 3.865 3.962 . 0 0 "[ . 1 . 2]" 1
224 1 31 LEU HA 1 31 LEU MD2 . . 3.350 2.198 1.979 2.495 . 0 0 "[ . 1 . 2]" 1
225 1 31 LEU HA 1 31 LEU HG . . 4.240 3.076 2.894 3.257 . 0 0 "[ . 1 . 2]" 1
226 1 31 LEU HA 1 33 TYR H . . 4.720 4.541 4.388 4.719 . 0 0 "[ . 1 . 2]" 1
227 1 31 LEU HA 1 90 ILE MD . . 3.540 2.546 2.269 2.853 . 0 0 "[ . 1 . 2]" 1
228 1 31 LEU HA 1 106 ALA MB . . 3.560 2.893 2.552 3.149 . 0 0 "[ . 1 . 2]" 1
229 1 31 LEU HB2 1 31 LEU MD1 . . 3.460 2.223 2.053 2.343 . 0 0 "[ . 1 . 2]" 1
230 1 31 LEU HB2 1 31 LEU MD2 . . 3.670 3.176 3.146 3.194 . 0 0 "[ . 1 . 2]" 1
231 1 31 LEU HB2 1 32 VAL HA . . 4.580 4.212 4.044 4.446 . 0 0 "[ . 1 . 2]" 1
232 1 31 LEU HB3 1 31 LEU MD1 . . 3.550 2.479 2.362 2.609 . 0 0 "[ . 1 . 2]" 1
233 1 31 LEU HB3 1 32 VAL H . . 4.110 3.711 3.314 4.038 . 0 0 "[ . 1 . 2]" 1
234 1 31 LEU MD1 1 42 PHE HB2 . . 4.650 2.545 2.179 2.943 . 0 0 "[ . 1 . 2]" 1
235 1 31 LEU MD1 1 42 PHE QB . . 3.950 2.454 2.110 2.860 . 0 0 "[ . 1 . 2]" 1
236 1 31 LEU MD1 1 42 PHE HB3 . . 4.650 3.242 2.821 3.888 . 0 0 "[ . 1 . 2]" 1
237 1 31 LEU MD1 1 42 PHE QD . . 4.740 2.370 1.993 2.865 . 0 0 "[ . 1 . 2]" 1
238 1 31 LEU MD1 1 43 THR H . . 4.920 4.136 3.799 4.417 . 0 0 "[ . 1 . 2]" 1
239 1 31 LEU MD1 1 104 PHE QD . . 4.300 3.862 3.439 4.220 . 0 0 "[ . 1 . 2]" 1
240 1 31 LEU MD2 1 42 PHE QD . . 4.620 2.846 2.627 3.170 . 0 0 "[ . 1 . 2]" 1
241 1 31 LEU MD2 1 42 PHE QE . . 4.630 2.876 2.392 3.580 . 0 0 "[ . 1 . 2]" 1
242 1 31 LEU MD2 1 42 PHE HZ . . 4.580 3.422 2.775 4.304 . 0 0 "[ . 1 . 2]" 1
243 1 31 LEU MD2 1 90 ILE HB . . 4.640 3.756 3.370 4.179 . 0 0 "[ . 1 . 2]" 1
244 1 31 LEU MD2 1 90 ILE MD . . 3.470 1.964 1.778 2.183 . 0 0 "[ . 1 . 2]" 1
245 1 31 LEU MD2 1 90 ILE MG . . 3.430 2.788 2.407 3.073 . 0 0 "[ . 1 . 2]" 1
246 1 31 LEU MD2 1 92 VAL MG2 . . 4.490 3.883 3.571 4.209 . 0 0 "[ . 1 . 2]" 1
247 1 31 LEU MD2 1 104 PHE HB2 . . 4.650 3.487 2.937 4.227 . 0 0 "[ . 1 . 2]" 1
248 1 31 LEU MD2 1 104 PHE HB3 . . 4.650 3.787 3.327 4.419 . 0 0 "[ . 1 . 2]" 1
249 1 31 LEU MD2 1 104 PHE QD . . 4.130 3.451 2.782 3.985 . 0 0 "[ . 1 . 2]" 1
250 1 31 LEU HG 1 32 VAL H . . 4.760 4.233 4.014 4.531 . 0 0 "[ . 1 . 2]" 1
251 1 31 LEU HG 1 42 PHE HB2 . . 4.520 2.776 2.377 3.009 . 0 0 "[ . 1 . 2]" 1
252 1 31 LEU HG 1 42 PHE HB3 . . 4.520 2.270 2.044 2.860 . 0 0 "[ . 1 . 2]" 1
253 1 31 LEU HG 1 42 PHE QD . . 5.170 3.119 2.743 3.614 . 0 0 "[ . 1 . 2]" 1
254 1 31 LEU HG 1 43 THR H . . 5.270 5.069 4.746 5.269 . 0 0 "[ . 1 . 2]" 1
255 1 32 VAL H 1 32 VAL HB . . 3.530 2.541 2.465 2.598 . 0 0 "[ . 1 . 2]" 1
256 1 32 VAL H 1 32 VAL MG1 . . 4.190 3.765 3.757 3.784 . 0 0 "[ . 1 . 2]" 1
257 1 32 VAL H 1 32 VAL MG2 . . 3.390 2.130 1.935 2.342 . 0 0 "[ . 1 . 2]" 1
258 1 32 VAL H 1 33 TYR H . . 2.860 2.681 2.408 2.832 . 0 0 "[ . 1 . 2]" 1
259 1 32 VAL H 1 33 TYR HA . . 5.340 5.108 4.892 5.240 . 0 0 "[ . 1 . 2]" 1
260 1 32 VAL HA 1 32 VAL MG1 . . 3.380 2.408 2.294 2.474 . 0 0 "[ . 1 . 2]" 1
261 1 32 VAL HA 1 32 VAL MG2 . . 3.310 2.374 2.241 2.465 . 0 0 "[ . 1 . 2]" 1
262 1 32 VAL HA 1 106 ALA HA . . 3.830 3.607 3.351 3.811 . 0 0 "[ . 1 . 2]" 1
263 1 32 VAL HA 1 106 ALA MB . . 4.810 4.294 3.634 4.599 . 0 0 "[ . 1 . 2]" 1
264 1 32 VAL HA 1 107 LYS H . . 4.580 4.424 4.192 4.583 0.003 15 0 "[ . 1 . 2]" 1
265 1 32 VAL HB 1 33 TYR H . . 3.390 2.531 2.397 2.644 . 0 0 "[ . 1 . 2]" 1
266 1 32 VAL HB 1 33 TYR QD . . 3.730 3.565 3.340 3.716 . 0 0 "[ . 1 . 2]" 1
267 1 32 VAL MG1 1 33 TYR H . . 4.130 3.406 3.323 3.483 . 0 0 "[ . 1 . 2]" 1
268 1 32 VAL MG1 1 33 TYR HB2 . . 4.420 4.382 4.266 4.425 0.005 7 0 "[ . 1 . 2]" 1
269 1 32 VAL MG1 1 33 TYR QB . . 3.580 3.030 2.902 3.175 . 0 0 "[ . 1 . 2]" 1
270 1 32 VAL MG1 1 33 TYR HB3 . . 4.420 3.089 2.949 3.256 . 0 0 "[ . 1 . 2]" 1
271 1 32 VAL MG1 1 33 TYR QD . . 3.590 2.073 1.869 2.517 . 0 0 "[ . 1 . 2]" 1
272 1 32 VAL MG1 1 107 LYS H . . 4.790 4.150 3.732 4.370 . 0 0 "[ . 1 . 2]" 1
273 1 32 VAL MG2 1 33 TYR H . . 3.890 3.795 3.686 3.875 . 0 0 "[ . 1 . 2]" 1
274 1 32 VAL MG2 1 33 TYR QD . . 4.700 4.483 4.260 4.651 . 0 0 "[ . 1 . 2]" 1
275 1 32 VAL MG2 1 33 TYR QE . . 4.520 4.394 4.172 4.524 0.004 7 0 "[ . 1 . 2]" 1
276 1 33 TYR H 1 33 TYR HB2 . . 4.040 3.957 3.905 4.006 . 0 0 "[ . 1 . 2]" 1
277 1 33 TYR H 1 33 TYR QB . . 3.530 3.347 3.312 3.383 . 0 0 "[ . 1 . 2]" 1
278 1 33 TYR H 1 33 TYR HB3 . . 4.040 3.613 3.555 3.688 . 0 0 "[ . 1 . 2]" 1
279 1 33 TYR H 1 33 TYR QD . . 4.390 3.216 2.521 3.505 . 0 0 "[ . 1 . 2]" 1
280 1 33 TYR H 1 34 GLY H . . 4.440 4.368 4.360 4.377 . 0 0 "[ . 1 . 2]" 1
281 1 33 TYR H 1 106 ALA MB . . 3.780 3.576 3.317 3.779 . 0 0 "[ . 1 . 2]" 1
282 1 33 TYR H 1 107 LYS H . . 4.710 4.579 4.356 4.709 . 0 0 "[ . 1 . 2]" 1
283 1 33 TYR HA 1 33 TYR QD . . 4.020 3.681 3.592 3.719 . 0 0 "[ . 1 . 2]" 1
284 1 33 TYR HA 1 34 GLY H . . 2.960 2.545 2.438 2.635 . 0 0 "[ . 1 . 2]" 1
285 1 33 TYR HA 1 106 ALA HA . . 4.510 2.971 2.519 3.682 . 0 0 "[ . 1 . 2]" 1
286 1 33 TYR HA 1 106 ALA MB . . 3.980 2.596 2.292 2.866 . 0 0 "[ . 1 . 2]" 1
287 1 33 TYR HA 1 107 LYS H . . 3.450 2.470 2.193 2.661 . 0 0 "[ . 1 . 2]" 1
288 1 33 TYR HA 1 107 LYS QB . . 4.270 3.565 3.281 3.897 . 0 0 "[ . 1 . 2]" 1
289 1 33 TYR HA 1 108 ILE MD . . 4.860 4.704 4.436 4.856 . 0 0 "[ . 1 . 2]" 1
290 1 33 TYR QB 1 34 GLY H . . 3.220 2.119 1.955 2.330 . 0 0 "[ . 1 . 2]" 1
291 1 33 TYR QB 1 107 LYS H . . 4.210 2.894 2.498 3.301 . 0 0 "[ . 1 . 2]" 1
292 1 33 TYR HB2 1 34 GLY H . . 3.790 2.137 1.966 2.357 . 0 0 "[ . 1 . 2]" 1
293 1 33 TYR HB2 1 107 LYS H . . 4.860 4.042 3.793 4.492 . 0 0 "[ . 1 . 2]" 1
294 1 33 TYR HB3 1 34 GLY H . . 3.790 3.503 3.361 3.651 . 0 0 "[ . 1 . 2]" 1
295 1 33 TYR HB3 1 107 LYS H . . 4.860 2.967 2.532 3.410 . 0 0 "[ . 1 . 2]" 1
296 1 33 TYR QD 1 34 GLY H . . 4.140 3.305 2.906 3.603 . 0 0 "[ . 1 . 2]" 1
297 1 33 TYR QD 1 34 GLY HA2 . . 4.480 2.967 2.739 3.376 . 0 0 "[ . 1 . 2]" 1
298 1 33 TYR QD 1 34 GLY QA . . 3.820 2.912 2.698 3.279 . 0 0 "[ . 1 . 2]" 1
299 1 33 TYR QD 1 34 GLY HA3 . . 4.480 4.251 4.050 4.460 . 0 0 "[ . 1 . 2]" 1
300 1 33 TYR QD 1 107 LYS QB . . 4.160 3.842 3.170 4.125 . 0 0 "[ . 1 . 2]" 1
301 1 34 GLY H 1 35 VAL H . . 4.550 4.345 4.265 4.389 . 0 0 "[ . 1 . 2]" 1
302 1 34 GLY H 1 106 ALA MB . . 4.560 3.987 3.661 4.392 . 0 0 "[ . 1 . 2]" 1
303 1 34 GLY H 1 108 ILE HA . . 3.580 2.127 1.971 2.232 . 0 0 "[ . 1 . 2]" 1
304 1 34 GLY H 1 108 ILE MD . . 3.840 3.793 3.673 3.841 0.001 9 0 "[ . 1 . 2]" 1
305 1 34 GLY H 1 108 ILE HG12 . . 4.950 2.277 2.034 2.387 . 0 0 "[ . 1 . 2]" 1
306 1 34 GLY H 1 108 ILE MG . . 4.340 3.549 3.335 3.732 . 0 0 "[ . 1 . 2]" 1
307 1 34 GLY H 1 109 THR H . . 3.960 3.860 3.613 3.964 0.004 4 0 "[ . 1 . 2]" 1
308 1 34 GLY H 1 109 THR MG . . 4.680 4.517 4.246 4.677 . 0 0 "[ . 1 . 2]" 1
309 1 34 GLY QA 1 35 VAL MG2 . . 3.630 3.135 2.884 3.363 . 0 0 "[ . 1 . 2]" 1
310 1 34 GLY QA 1 40 ALA MB . . 3.690 3.066 2.932 3.312 . 0 0 "[ . 1 . 2]" 1
311 1 34 GLY QA 1 108 ILE MD . . 3.370 2.426 2.267 2.599 . 0 0 "[ . 1 . 2]" 1
312 1 34 GLY QA 1 108 ILE MG . . 4.690 3.126 2.810 3.362 . 0 0 "[ . 1 . 2]" 1
313 1 34 GLY HA2 1 35 VAL H . . 3.160 2.693 2.582 2.862 . 0 0 "[ . 1 . 2]" 1
314 1 34 GLY HA2 1 35 VAL MG2 . . 4.350 3.252 2.994 3.503 . 0 0 "[ . 1 . 2]" 1
315 1 34 GLY HA2 1 40 ALA MB . . 4.230 3.520 3.224 3.912 . 0 0 "[ . 1 . 2]" 1
316 1 34 GLY HA2 1 108 ILE MD . . 4.080 3.928 3.744 4.079 . 0 0 "[ . 1 . 2]" 1
317 1 34 GLY HA2 1 108 ILE MG . . 5.320 4.164 3.934 4.353 . 0 0 "[ . 1 . 2]" 1
318 1 34 GLY HA3 1 35 VAL H . . 3.160 2.443 2.305 2.542 . 0 0 "[ . 1 . 2]" 1
319 1 34 GLY HA3 1 35 VAL MG2 . . 4.350 4.111 3.764 4.340 . 0 0 "[ . 1 . 2]" 1
320 1 34 GLY HA3 1 40 ALA MB . . 4.230 3.392 3.153 3.584 . 0 0 "[ . 1 . 2]" 1
321 1 34 GLY HA3 1 108 ILE MD . . 4.080 2.449 2.286 2.629 . 0 0 "[ . 1 . 2]" 1
322 1 34 GLY HA3 1 108 ILE MG . . 5.320 3.232 2.878 3.498 . 0 0 "[ . 1 . 2]" 1
323 1 35 VAL H 1 35 VAL HB . . 3.230 2.803 2.695 3.096 . 0 0 "[ . 1 . 2]" 1
324 1 35 VAL H 1 35 VAL MG1 . . 4.040 3.896 3.808 3.993 . 0 0 "[ . 1 . 2]" 1
325 1 35 VAL H 1 35 VAL MG2 . . 3.580 2.950 2.599 3.251 . 0 0 "[ . 1 . 2]" 1
326 1 35 VAL H 1 36 ALA H . . 4.570 4.326 4.187 4.429 . 0 0 "[ . 1 . 2]" 1
327 1 35 VAL H 1 38 LYS QB . . 4.540 2.997 2.371 3.647 . 0 0 "[ . 1 . 2]" 1
328 1 35 VAL H 1 108 ILE MD . . 4.020 3.056 2.659 3.602 . 0 0 "[ . 1 . 2]" 1
329 1 35 VAL H 1 108 ILE MG . . 4.180 3.005 2.546 3.415 . 0 0 "[ . 1 . 2]" 1
330 1 35 VAL HA 1 35 VAL MG1 . . 3.290 2.384 2.035 2.487 . 0 0 "[ . 1 . 2]" 1
331 1 35 VAL HA 1 35 VAL MG2 . . 3.350 2.378 2.183 2.610 . 0 0 "[ . 1 . 2]" 1
332 1 35 VAL HA 1 36 ALA H . . 2.890 2.199 2.151 2.334 . 0 0 "[ . 1 . 2]" 1
333 1 35 VAL HA 1 36 ALA HA . . 4.820 4.331 4.311 4.358 . 0 0 "[ . 1 . 2]" 1
334 1 35 VAL HA 1 108 ILE MG . . 3.750 2.236 1.976 2.867 . 0 0 "[ . 1 . 2]" 1
335 1 35 VAL HA 1 109 THR H . . 3.400 2.622 2.373 2.939 . 0 0 "[ . 1 . 2]" 1
336 1 35 VAL HA 1 109 THR MG . . 4.810 3.995 3.066 4.805 . 0 0 "[ . 1 . 2]" 1
337 1 35 VAL HB 1 36 ALA H . . 4.190 4.025 3.357 4.190 . 0 0 "[ . 1 . 2]" 1
338 1 35 VAL HB 1 38 LYS QG . . 3.440 2.474 2.156 3.410 . 0 0 "[ . 1 . 2]" 1
339 1 35 VAL MG1 1 36 ALA H . . 3.510 2.225 1.947 2.503 . 0 0 "[ . 1 . 2]" 1
340 1 35 VAL MG1 1 38 LYS QB . . 4.140 2.520 1.960 3.518 . 0 0 "[ . 1 . 2]" 1
341 1 35 VAL MG1 1 38 LYS HE2 . . 4.390 3.315 1.902 4.293 . 0 0 "[ . 1 . 2]" 1
342 1 35 VAL MG1 1 38 LYS QE . . 3.860 2.876 1.878 3.723 . 0 0 "[ . 1 . 2]" 1
343 1 35 VAL MG1 1 38 LYS HE3 . . 4.390 3.519 2.452 4.397 0.007 4 0 "[ . 1 . 2]" 1
344 1 35 VAL MG1 1 38 LYS QG . . 3.520 2.730 1.907 3.531 0.011 7 0 "[ . 1 . 2]" 1
345 1 35 VAL MG1 1 111 ASP H . . 3.880 3.126 2.261 3.873 . 0 0 "[ . 1 . 2]" 1
346 1 35 VAL MG1 1 111 ASP HB2 . . 4.100 2.794 1.967 4.030 . 0 0 "[ . 1 . 2]" 1
347 1 35 VAL MG1 1 111 ASP QB . . 3.550 2.443 1.943 3.042 . 0 0 "[ . 1 . 2]" 1
348 1 35 VAL MG1 1 111 ASP HB3 . . 4.100 3.138 2.045 4.101 0.001 7 0 "[ . 1 . 2]" 1
349 1 35 VAL MG2 1 36 ALA H . . 4.090 3.930 3.733 4.079 . 0 0 "[ . 1 . 2]" 1
350 1 35 VAL MG2 1 38 LYS QB . . 4.350 3.375 2.898 3.685 . 0 0 "[ . 1 . 2]" 1
351 1 35 VAL MG2 1 38 LYS QE . . 4.620 3.463 2.105 4.635 0.015 7 0 "[ . 1 . 2]" 1
352 1 35 VAL MG2 1 111 ASP QB . . 4.880 3.929 3.027 4.876 . 0 0 "[ . 1 . 2]" 1
353 1 36 ALA H 1 36 ALA MB . . 2.960 2.182 2.024 2.242 . 0 0 "[ . 1 . 2]" 1
354 1 36 ALA H 1 37 ASN H . . 4.640 4.570 4.501 4.610 . 0 0 "[ . 1 . 2]" 1
355 1 36 ALA H 1 82 PRO QG . . 5.350 4.205 3.854 4.638 . 0 0 "[ . 1 . 2]" 1
356 1 36 ALA H 1 85 PRO HB2 . . 5.500 5.383 5.067 5.502 0.002 15 0 "[ . 1 . 2]" 1
357 1 36 ALA H 1 85 PRO HB3 . . 5.500 3.705 3.376 3.833 . 0 0 "[ . 1 . 2]" 1
358 1 36 ALA H 1 108 ILE MG . . 3.340 2.657 2.396 2.990 . 0 0 "[ . 1 . 2]" 1
359 1 36 ALA H 1 109 THR H . . 4.060 3.791 3.359 4.049 . 0 0 "[ . 1 . 2]" 1
360 1 36 ALA H 1 110 ASP HA . . 3.940 3.123 2.712 3.536 . 0 0 "[ . 1 . 2]" 1
361 1 36 ALA H 1 111 ASP H . . 4.370 4.008 3.005 4.369 . 0 0 "[ . 1 . 2]" 1
362 1 36 ALA HA 1 37 ASN H . . 3.070 2.170 2.145 2.204 . 0 0 "[ . 1 . 2]" 1
363 1 36 ALA HA 1 37 ASN HA . . 4.380 4.375 4.365 4.388 0.008 19 0 "[ . 1 . 2]" 1
364 1 36 ALA HA 1 38 LYS H . . 3.920 3.822 3.555 3.920 . 0 0 "[ . 1 . 2]" 1
365 1 36 ALA HA 1 38 LYS QB . . 5.200 4.549 4.421 4.667 . 0 0 "[ . 1 . 2]" 1
366 1 36 ALA HA 1 82 PRO QB . . 5.340 2.739 2.289 3.298 . 0 0 "[ . 1 . 2]" 1
367 1 36 ALA HA 1 82 PRO HG2 . . 4.440 2.565 2.148 2.825 . 0 0 "[ . 1 . 2]" 1
368 1 36 ALA HA 1 82 PRO QG . . 3.790 2.512 2.106 2.769 . 0 0 "[ . 1 . 2]" 1
369 1 36 ALA HA 1 82 PRO HG3 . . 4.440 3.593 3.030 4.025 . 0 0 "[ . 1 . 2]" 1
370 1 36 ALA HA 1 83 THR HA . . 5.050 4.921 4.593 5.052 0.002 18 0 "[ . 1 . 2]" 1
371 1 36 ALA HA 1 88 TYR QE . . 5.500 4.974 4.530 5.316 . 0 0 "[ . 1 . 2]" 1
372 1 36 ALA HA 1 108 ILE MG . . 3.660 3.084 2.882 3.227 . 0 0 "[ . 1 . 2]" 1
373 1 36 ALA MB 1 37 ASN H . . 3.570 3.027 2.880 3.221 . 0 0 "[ . 1 . 2]" 1
374 1 36 ALA MB 1 37 ASN HD21 . . 4.100 2.992 2.326 4.031 . 0 0 "[ . 1 . 2]" 1
375 1 36 ALA MB 1 37 ASN HD22 . . 4.130 3.825 3.207 4.130 0.000 4 0 "[ . 1 . 2]" 1
376 1 36 ALA MB 1 38 LYS H . . 4.970 4.734 4.553 4.860 . 0 0 "[ . 1 . 2]" 1
377 1 36 ALA MB 1 85 PRO HA . . 4.030 3.217 2.577 3.686 . 0 0 "[ . 1 . 2]" 1
378 1 36 ALA MB 1 85 PRO HB2 . . 4.370 4.126 3.855 4.363 . 0 0 "[ . 1 . 2]" 1
379 1 36 ALA MB 1 85 PRO QB . . 3.640 2.636 2.361 2.913 . 0 0 "[ . 1 . 2]" 1
380 1 36 ALA MB 1 85 PRO HB3 . . 4.370 2.668 2.382 2.958 . 0 0 "[ . 1 . 2]" 1
381 1 36 ALA MB 1 85 PRO HD2 . . 3.660 3.571 3.344 3.657 . 0 0 "[ . 1 . 2]" 1
382 1 36 ALA MB 1 85 PRO HD3 . . 3.610 2.119 1.989 2.252 . 0 0 "[ . 1 . 2]" 1
383 1 36 ALA MB 1 85 PRO HG2 . . 4.510 4.250 4.056 4.387 . 0 0 "[ . 1 . 2]" 1
384 1 36 ALA MB 1 85 PRO QG . . 3.920 3.166 3.015 3.314 . 0 0 "[ . 1 . 2]" 1
385 1 36 ALA MB 1 85 PRO HG3 . . 4.510 3.268 3.093 3.445 . 0 0 "[ . 1 . 2]" 1
386 1 36 ALA MB 1 110 ASP HA . . 3.510 2.447 2.172 2.860 . 0 0 "[ . 1 . 2]" 1
387 1 36 ALA MB 1 110 ASP HB2 . . 4.450 3.314 2.134 4.380 . 0 0 "[ . 1 . 2]" 1
388 1 36 ALA MB 1 110 ASP HB3 . . 4.450 4.000 3.594 4.372 . 0 0 "[ . 1 . 2]" 1
389 1 36 ALA MB 1 111 ASP H . . 3.920 3.169 2.261 3.903 . 0 0 "[ . 1 . 2]" 1
390 1 37 ASN H 1 38 LYS H . . 3.300 2.795 2.590 2.993 . 0 0 "[ . 1 . 2]" 1
391 1 37 ASN H 1 38 LYS QB . . 5.240 4.528 4.453 4.658 . 0 0 "[ . 1 . 2]" 1
392 1 37 ASN H 1 81 LEU MD1 . . 4.230 3.762 3.290 4.198 . 0 0 "[ . 1 . 2]" 1
393 1 37 ASN H 1 81 LEU HG . . 4.400 4.058 3.786 4.293 . 0 0 "[ . 1 . 2]" 1
394 1 37 ASN H 1 82 PRO QB . . 4.320 3.222 2.842 3.723 . 0 0 "[ . 1 . 2]" 1
395 1 37 ASN H 1 82 PRO HG2 . . 4.680 2.379 1.987 2.819 . 0 0 "[ . 1 . 2]" 1
396 1 37 ASN H 1 82 PRO QG . . 4.020 2.364 1.979 2.794 . 0 0 "[ . 1 . 2]" 1
397 1 37 ASN H 1 82 PRO HG3 . . 4.680 4.100 3.690 4.567 . 0 0 "[ . 1 . 2]" 1
398 1 37 ASN H 1 83 THR HA . . 3.660 3.585 3.404 3.664 0.004 7 0 "[ . 1 . 2]" 1
399 1 37 ASN H 1 108 ILE MG . . 4.870 4.737 4.569 4.863 . 0 0 "[ . 1 . 2]" 1
400 1 37 ASN HA 1 37 ASN HD21 . . 4.550 2.768 2.087 3.718 . 0 0 "[ . 1 . 2]" 1
401 1 37 ASN HA 1 37 ASN HD22 . . 4.660 3.760 3.586 4.204 . 0 0 "[ . 1 . 2]" 1
402 1 37 ASN HA 1 38 LYS H . . 3.540 2.750 2.667 2.903 . 0 0 "[ . 1 . 2]" 1
403 1 37 ASN HA 1 81 LEU MD1 . . 3.440 2.448 2.210 2.885 . 0 0 "[ . 1 . 2]" 1
404 1 37 ASN HA 1 81 LEU MD2 . . 3.850 3.246 2.913 3.536 . 0 0 "[ . 1 . 2]" 1
405 1 37 ASN HA 1 81 LEU HG . . 4.150 2.939 2.357 3.391 . 0 0 "[ . 1 . 2]" 1
406 1 37 ASN HA 1 83 THR HA . . 4.270 4.051 3.796 4.269 . 0 0 "[ . 1 . 2]" 1
407 1 37 ASN QB 1 37 ASN HD21 . . 3.020 2.561 2.233 2.684 . 0 0 "[ . 1 . 2]" 1
408 1 37 ASN QB 1 37 ASN HD22 . . 3.450 3.407 3.299 3.446 . 0 0 "[ . 1 . 2]" 1
409 1 37 ASN QB 1 38 LYS H . . 4.010 3.877 3.792 3.901 . 0 0 "[ . 1 . 2]" 1
410 1 37 ASN HB2 1 38 LYS H . . 4.660 4.305 4.128 4.392 . 0 0 "[ . 1 . 2]" 1
411 1 37 ASN HB3 1 38 LYS H . . 4.660 4.409 4.324 4.566 . 0 0 "[ . 1 . 2]" 1
412 1 37 ASN HD21 1 83 THR HA . . 4.790 3.046 2.379 4.240 . 0 0 "[ . 1 . 2]" 1
413 1 37 ASN HD22 1 83 THR HA . . 4.410 2.796 2.333 3.767 . 0 0 "[ . 1 . 2]" 1
414 1 37 ASN HD22 1 83 THR HB . . 5.200 5.068 4.727 5.202 0.002 7 0 "[ . 1 . 2]" 1
415 1 38 LYS H 1 38 LYS HB2 . . 3.900 2.829 2.525 3.119 . 0 0 "[ . 1 . 2]" 1
416 1 38 LYS H 1 38 LYS QB . . 3.110 2.616 2.480 2.807 . 0 0 "[ . 1 . 2]" 1
417 1 38 LYS H 1 38 LYS HB3 . . 3.900 3.308 2.699 3.782 . 0 0 "[ . 1 . 2]" 1
418 1 38 LYS H 1 38 LYS QG . . 4.250 3.931 3.512 4.257 0.007 3 0 "[ . 1 . 2]" 1
419 1 38 LYS H 1 39 THR H . . 4.500 4.359 4.134 4.458 . 0 0 "[ . 1 . 2]" 1
420 1 38 LYS H 1 81 LEU HA . . 4.880 4.200 3.938 4.621 . 0 0 "[ . 1 . 2]" 1
421 1 38 LYS H 1 81 LEU MD1 . . 3.810 2.248 1.934 2.868 . 0 0 "[ . 1 . 2]" 1
422 1 38 LYS H 1 81 LEU MD2 . . 5.020 4.583 4.362 4.828 . 0 0 "[ . 1 . 2]" 1
423 1 38 LYS H 1 82 PRO HD2 . . 4.750 2.534 2.218 3.095 . 0 0 "[ . 1 . 2]" 1
424 1 38 LYS H 1 82 PRO QD . . 3.970 2.511 2.198 3.056 . 0 0 "[ . 1 . 2]" 1
425 1 38 LYS H 1 82 PRO HD3 . . 4.750 4.090 3.569 4.730 . 0 0 "[ . 1 . 2]" 1
426 1 38 LYS H 1 82 PRO QG . . 4.650 2.358 1.876 2.835 . 0 0 "[ . 1 . 2]" 1
427 1 38 LYS HA 1 38 LYS HD2 . . 4.300 3.145 2.053 4.318 0.018 11 0 "[ . 1 . 2]" 1
428 1 38 LYS HA 1 38 LYS QD . . 3.710 2.509 1.997 3.655 . 0 0 "[ . 1 . 2]" 1
429 1 38 LYS HA 1 38 LYS HD3 . . 4.300 2.937 2.012 3.952 . 0 0 "[ . 1 . 2]" 1
430 1 38 LYS HA 1 38 LYS QG . . 3.760 2.482 2.146 2.880 . 0 0 "[ . 1 . 2]" 1
431 1 38 LYS HA 1 39 THR H . . 2.800 2.255 2.146 2.571 . 0 0 "[ . 1 . 2]" 1
432 1 38 LYS HA 1 81 LEU MD1 . . 3.940 2.886 2.654 3.113 . 0 0 "[ . 1 . 2]" 1
433 1 38 LYS QB 1 39 THR H . . 3.490 3.184 2.098 3.491 0.001 2 0 "[ . 1 . 2]" 1
434 1 38 LYS QD 1 39 THR H . . 4.660 3.194 2.177 4.616 . 0 0 "[ . 1 . 2]" 1
435 1 38 LYS QE 1 38 LYS QG . . 3.200 2.225 2.048 2.737 . 0 0 "[ . 1 . 2]" 1
436 1 38 LYS HE2 1 38 LYS QG . . 3.650 2.595 2.080 3.410 . 0 0 "[ . 1 . 2]" 1
437 1 38 LYS HE3 1 38 LYS QG . . 3.650 2.661 2.097 3.468 . 0 0 "[ . 1 . 2]" 1
438 1 38 LYS QG 1 39 THR H . . 4.270 3.129 1.991 4.256 . 0 0 "[ . 1 . 2]" 1
439 1 39 THR H 1 39 THR HB . . 3.780 3.614 3.597 3.654 . 0 0 "[ . 1 . 2]" 1
440 1 39 THR H 1 39 THR MG . . 3.350 2.344 1.879 2.626 . 0 0 "[ . 1 . 2]" 1
441 1 39 THR H 1 40 ALA H . . 4.670 4.563 4.458 4.648 . 0 0 "[ . 1 . 2]" 1
442 1 39 THR H 1 81 LEU MD1 . . 4.030 3.276 2.668 3.986 . 0 0 "[ . 1 . 2]" 1
443 1 39 THR HA 1 39 THR MG . . 3.390 2.282 2.133 2.486 . 0 0 "[ . 1 . 2]" 1
444 1 39 THR HA 1 40 ALA H . . 2.920 2.194 2.142 2.350 . 0 0 "[ . 1 . 2]" 1
445 1 39 THR HA 1 40 ALA MB . . 4.340 3.925 3.794 4.025 . 0 0 "[ . 1 . 2]" 1
446 1 39 THR HA 1 80 TYR H . . 5.020 4.896 4.371 5.026 0.006 4 0 "[ . 1 . 2]" 1
447 1 39 THR HA 1 81 LEU HA . . 3.910 3.565 2.993 3.892 . 0 0 "[ . 1 . 2]" 1
448 1 39 THR HA 1 81 LEU MD1 . . 3.740 2.639 2.159 3.214 . 0 0 "[ . 1 . 2]" 1
449 1 39 THR HB 1 40 ALA H . . 3.670 3.102 2.515 3.489 . 0 0 "[ . 1 . 2]" 1
450 1 39 THR MG 1 40 ALA H . . 3.950 3.845 3.690 3.951 0.001 1 0 "[ . 1 . 2]" 1
451 1 39 THR MG 1 81 LEU MD1 . . 3.390 2.906 2.369 3.298 . 0 0 "[ . 1 . 2]" 1
452 1 40 ALA H 1 40 ALA MB . . 3.420 2.686 2.431 2.875 . 0 0 "[ . 1 . 2]" 1
453 1 40 ALA H 1 41 THR H . . 4.720 3.989 3.714 4.217 . 0 0 "[ . 1 . 2]" 1
454 1 40 ALA H 1 79 THR MG . . 4.010 3.210 2.657 3.637 . 0 0 "[ . 1 . 2]" 1
455 1 40 ALA H 1 80 TYR H . . 3.570 3.324 2.941 3.547 . 0 0 "[ . 1 . 2]" 1
456 1 40 ALA H 1 81 LEU HA . . 4.130 3.814 3.413 4.114 . 0 0 "[ . 1 . 2]" 1
457 1 40 ALA H 1 82 PRO QD . . 4.850 4.033 3.603 4.369 . 0 0 "[ . 1 . 2]" 1
458 1 40 ALA HA 1 41 THR H . . 3.010 2.149 2.140 2.167 . 0 0 "[ . 1 . 2]" 1
459 1 40 ALA MB 1 41 THR H . . 3.490 3.299 3.101 3.426 . 0 0 "[ . 1 . 2]" 1
460 1 40 ALA MB 1 80 TYR H . . 4.310 4.012 3.586 4.312 0.002 16 0 "[ . 1 . 2]" 1
461 1 40 ALA MB 1 80 TYR QD . . 4.700 3.606 3.291 4.013 . 0 0 "[ . 1 . 2]" 1
462 1 40 ALA MB 1 80 TYR QE . . 4.390 2.743 2.079 3.225 . 0 0 "[ . 1 . 2]" 1
463 1 40 ALA MB 1 82 PRO HD2 . . 4.590 3.882 3.492 4.093 . 0 0 "[ . 1 . 2]" 1
464 1 40 ALA MB 1 82 PRO QD . . 3.980 3.017 2.819 3.206 . 0 0 "[ . 1 . 2]" 1
465 1 40 ALA MB 1 82 PRO HD3 . . 4.590 3.149 2.923 3.421 . 0 0 "[ . 1 . 2]" 1
466 1 41 THR H 1 41 THR HB . . 3.600 3.118 2.659 3.618 0.018 19 0 "[ . 1 . 2]" 1
467 1 41 THR H 1 41 THR MG . . 3.860 2.691 1.999 3.890 0.030 7 0 "[ . 1 . 2]" 1
468 1 41 THR H 1 42 PHE H . . 4.590 4.439 4.377 4.559 . 0 0 "[ . 1 . 2]" 1
469 1 41 THR HA 1 41 THR MG . . 3.600 2.955 2.098 3.207 . 0 0 "[ . 1 . 2]" 1
470 1 41 THR HA 1 42 PHE H . . 2.950 2.318 2.186 2.467 . 0 0 "[ . 1 . 2]" 1
471 1 41 THR HA 1 79 THR HA . . 3.630 2.564 2.219 2.745 . 0 0 "[ . 1 . 2]" 1
472 1 41 THR HA 1 80 TYR H . . 4.160 3.517 3.223 3.798 . 0 0 "[ . 1 . 2]" 1
473 1 41 THR HB 1 42 PHE H . . 4.060 3.803 2.638 4.063 0.003 8 0 "[ . 1 . 2]" 1
474 1 41 THR HB 1 79 THR HA . . 4.470 2.891 2.008 4.471 0.001 7 0 "[ . 1 . 2]" 1
475 1 41 THR MG 1 42 PHE H . . 3.820 3.194 2.157 3.810 . 0 0 "[ . 1 . 2]" 1
476 1 41 THR MG 1 79 THR HA . . 4.230 3.542 2.207 4.128 . 0 0 "[ . 1 . 2]" 1
477 1 42 PHE H 1 42 PHE QD . . 4.430 2.434 2.055 3.005 . 0 0 "[ . 1 . 2]" 1
478 1 42 PHE H 1 77 THR HA . . 4.950 4.684 4.334 4.951 0.001 7 0 "[ . 1 . 2]" 1
479 1 42 PHE H 1 78 VAL H . . 3.790 3.365 2.870 3.787 . 0 0 "[ . 1 . 2]" 1
480 1 42 PHE H 1 78 VAL HB . . 4.050 3.714 3.489 4.048 . 0 0 "[ . 1 . 2]" 1
481 1 42 PHE H 1 78 VAL MG1 . . 5.290 4.402 3.997 4.704 . 0 0 "[ . 1 . 2]" 1
482 1 42 PHE H 1 78 VAL MG2 . . 5.500 4.932 4.731 5.327 . 0 0 "[ . 1 . 2]" 1
483 1 42 PHE H 1 79 THR HA . . 4.160 4.023 3.681 4.161 0.001 13 0 "[ . 1 . 2]" 1
484 1 42 PHE HA 1 43 THR H . . 3.240 2.426 2.305 2.487 . 0 0 "[ . 1 . 2]" 1
485 1 42 PHE QB 1 43 THR H . . 3.220 2.352 2.220 2.627 . 0 0 "[ . 1 . 2]" 1
486 1 42 PHE HB2 1 43 THR H . . 3.910 2.382 2.241 2.676 . 0 0 "[ . 1 . 2]" 1
487 1 42 PHE HB3 1 43 THR H . . 3.910 3.648 3.493 3.827 . 0 0 "[ . 1 . 2]" 1
488 1 42 PHE QD 1 43 THR H . . 4.070 3.658 3.331 3.911 . 0 0 "[ . 1 . 2]" 1
489 1 42 PHE QD 1 44 ILE QG . . 4.700 2.514 2.340 2.699 . 0 0 "[ . 1 . 2]" 1
490 1 42 PHE QE 1 44 ILE MD . . 3.670 2.096 1.922 2.428 . 0 0 "[ . 1 . 2]" 1
491 1 42 PHE QE 1 44 ILE HG12 . . 4.470 3.148 2.346 3.908 . 0 0 "[ . 1 . 2]" 1
492 1 42 PHE QE 1 44 ILE QG . . 3.890 2.831 2.259 3.383 . 0 0 "[ . 1 . 2]" 1
493 1 42 PHE QE 1 44 ILE HG13 . . 4.470 3.277 2.863 3.706 . 0 0 "[ . 1 . 2]" 1
494 1 42 PHE QE 1 56 LEU MD1 . . 4.800 4.208 3.150 4.802 0.002 7 0 "[ . 1 . 2]" 1
495 1 42 PHE QE 1 56 LEU MD2 . . 4.980 3.514 2.488 4.495 . 0 0 "[ . 1 . 2]" 1
496 1 42 PHE QE 1 58 ILE MD . . 4.390 3.578 3.148 3.921 . 0 0 "[ . 1 . 2]" 1
497 1 42 PHE QE 1 78 VAL HB . . 4.890 2.956 2.659 3.295 . 0 0 "[ . 1 . 2]" 1
498 1 42 PHE QE 1 78 VAL MG1 . . 3.870 2.505 1.988 3.293 . 0 0 "[ . 1 . 2]" 1
499 1 42 PHE QE 1 78 VAL MG2 . . 4.180 3.255 2.939 3.829 . 0 0 "[ . 1 . 2]" 1
500 1 42 PHE QE 1 90 ILE MD . . 4.570 4.349 3.572 4.572 0.002 10 0 "[ . 1 . 2]" 1
501 1 42 PHE QE 1 92 VAL MG2 . . 4.080 3.716 3.343 4.023 . 0 0 "[ . 1 . 2]" 1
502 1 42 PHE HZ 1 56 LEU MD1 . . 4.750 4.260 3.147 4.745 . 0 0 "[ . 1 . 2]" 1
503 1 42 PHE HZ 1 56 LEU MD2 . . 4.070 2.809 2.115 3.956 . 0 0 "[ . 1 . 2]" 1
504 1 42 PHE HZ 1 78 VAL MG1 . . 3.870 2.292 2.000 2.839 . 0 0 "[ . 1 . 2]" 1
505 1 42 PHE HZ 1 78 VAL MG2 . . 4.390 3.273 2.825 3.858 . 0 0 "[ . 1 . 2]" 1
506 1 42 PHE HZ 1 90 ILE MG . . 4.200 3.918 3.329 4.191 . 0 0 "[ . 1 . 2]" 1
507 1 43 THR H 1 43 THR HB . . 3.380 2.710 2.619 2.828 . 0 0 "[ . 1 . 2]" 1
508 1 43 THR H 1 43 THR MG . . 3.970 3.869 3.814 3.900 . 0 0 "[ . 1 . 2]" 1
509 1 43 THR HA 1 43 THR MG . . 3.540 2.272 2.077 2.399 . 0 0 "[ . 1 . 2]" 1
510 1 43 THR HA 1 44 ILE H . . 3.070 2.233 2.158 2.331 . 0 0 "[ . 1 . 2]" 1
511 1 43 THR HA 1 44 ILE HB . . 4.890 4.609 4.494 4.787 . 0 0 "[ . 1 . 2]" 1
512 1 43 THR HA 1 76 CYS H . . 4.690 4.412 4.040 4.690 0.000 10 0 "[ . 1 . 2]" 1
513 1 43 THR HA 1 77 THR HA . . 4.570 3.235 2.777 3.634 . 0 0 "[ . 1 . 2]" 1
514 1 43 THR HA 1 78 VAL H . . 4.270 4.047 3.785 4.271 0.001 10 0 "[ . 1 . 2]" 1
515 1 43 THR HB 1 44 ILE H . . 4.950 3.836 3.603 4.039 . 0 0 "[ . 1 . 2]" 1
516 1 43 THR MG 1 44 ILE H . . 3.440 2.158 1.892 2.539 . 0 0 "[ . 1 . 2]" 1
517 1 43 THR MG 1 75 THR HA . . 4.390 4.195 3.825 4.391 0.001 15 0 "[ . 1 . 2]" 1
518 1 43 THR MG 1 75 THR HB . . 3.240 2.394 2.039 2.836 . 0 0 "[ . 1 . 2]" 1
519 1 43 THR MG 1 76 CYS H . . 3.840 3.248 2.708 3.753 . 0 0 "[ . 1 . 2]" 1
520 1 44 ILE H 1 44 ILE HB . . 3.700 2.715 2.605 2.857 . 0 0 "[ . 1 . 2]" 1
521 1 44 ILE H 1 44 ILE MD . . 4.290 3.783 3.384 4.035 . 0 0 "[ . 1 . 2]" 1
522 1 44 ILE H 1 44 ILE QG . . 4.140 2.762 2.299 3.011 . 0 0 "[ . 1 . 2]" 1
523 1 44 ILE H 1 44 ILE MG . . 4.350 3.876 3.825 3.942 . 0 0 "[ . 1 . 2]" 1
524 1 44 ILE H 1 75 THR HA . . 4.910 4.673 4.182 4.910 . 0 0 "[ . 1 . 2]" 1
525 1 44 ILE H 1 75 THR HB . . 4.920 3.421 2.691 4.038 . 0 0 "[ . 1 . 2]" 1
526 1 44 ILE H 1 76 CYS H . . 3.780 2.778 2.456 3.012 . 0 0 "[ . 1 . 2]" 1
527 1 44 ILE H 1 76 CYS QB . . 4.650 3.523 3.257 3.806 . 0 0 "[ . 1 . 2]" 1
528 1 44 ILE H 1 77 THR HA . . 4.560 4.259 3.602 4.549 . 0 0 "[ . 1 . 2]" 1
529 1 44 ILE HA 1 44 ILE MD . . 4.420 3.895 3.828 3.955 . 0 0 "[ . 1 . 2]" 1
530 1 44 ILE HA 1 44 ILE MG . . 3.660 2.337 2.188 2.459 . 0 0 "[ . 1 . 2]" 1
531 1 44 ILE HA 1 45 VAL H . . 3.350 2.174 2.139 2.305 . 0 0 "[ . 1 . 2]" 1
532 1 44 ILE HA 1 45 VAL HB . . 4.910 4.661 4.498 4.905 . 0 0 "[ . 1 . 2]" 1
533 1 44 ILE HB 1 44 ILE MD . . 3.470 2.258 2.122 2.420 . 0 0 "[ . 1 . 2]" 1
534 1 44 ILE HB 1 45 VAL H . . 4.910 4.133 3.760 4.431 . 0 0 "[ . 1 . 2]" 1
535 1 44 ILE HB 1 76 CYS H . . 4.480 3.272 2.756 3.899 . 0 0 "[ . 1 . 2]" 1
536 1 44 ILE HB 1 76 CYS HB2 . . 4.160 2.717 2.012 3.566 . 0 0 "[ . 1 . 2]" 1
537 1 44 ILE HB 1 76 CYS QB . . 3.570 2.255 1.974 2.612 . 0 0 "[ . 1 . 2]" 1
538 1 44 ILE HB 1 76 CYS HB3 . . 4.160 3.117 1.998 4.147 . 0 0 "[ . 1 . 2]" 1
539 1 44 ILE MD 1 76 CYS HB2 . . 4.380 3.321 2.382 4.366 . 0 0 "[ . 1 . 2]" 1
540 1 44 ILE MD 1 76 CYS QB . . 3.840 2.643 2.146 3.401 . 0 0 "[ . 1 . 2]" 1
541 1 44 ILE MD 1 76 CYS HB3 . . 4.380 2.965 2.351 4.073 . 0 0 "[ . 1 . 2]" 1
542 1 44 ILE MD 1 78 VAL MG2 . . 3.290 2.194 1.803 2.691 . 0 0 "[ . 1 . 2]" 1
543 1 44 ILE QG 1 45 VAL H . . 4.850 4.175 3.930 4.393 . 0 0 "[ . 1 . 2]" 1
544 1 44 ILE MG 1 45 VAL H . . 3.570 2.528 1.960 3.193 . 0 0 "[ . 1 . 2]" 1
545 1 45 VAL H 1 45 VAL HB . . 3.510 2.557 2.466 2.768 . 0 0 "[ . 1 . 2]" 1
546 1 45 VAL H 1 45 VAL QG . . 3.450 2.274 1.895 2.664 . 0 0 "[ . 1 . 2]" 1
547 1 45 VAL H 1 46 THR H . . 4.890 4.292 3.820 4.588 . 0 0 "[ . 1 . 2]" 1
548 1 45 VAL H 1 75 THR MG . . 5.500 4.707 4.171 5.498 . 0 0 "[ . 1 . 2]" 1
549 1 45 VAL HA 1 45 VAL MG1 . . 3.580 2.441 2.102 3.202 . 0 0 "[ . 1 . 2]" 1
550 1 45 VAL HA 1 45 VAL QG . . 3.020 2.119 2.001 2.333 . 0 0 "[ . 1 . 2]" 1
551 1 45 VAL HA 1 45 VAL MG2 . . 3.580 2.376 2.240 2.542 . 0 0 "[ . 1 . 2]" 1
552 1 45 VAL HA 1 46 THR H . . 3.050 2.207 2.141 2.403 . 0 0 "[ . 1 . 2]" 1
553 1 45 VAL HA 1 75 THR HA . . 3.930 3.519 2.810 3.910 . 0 0 "[ . 1 . 2]" 1
554 1 45 VAL HA 1 75 THR HB . . 4.660 4.263 3.560 4.658 . 0 0 "[ . 1 . 2]" 1
555 1 45 VAL HA 1 75 THR MG . . 3.650 2.682 2.010 3.393 . 0 0 "[ . 1 . 2]" 1
556 1 45 VAL HA 1 76 CYS H . . 4.900 4.537 3.949 4.895 . 0 0 "[ . 1 . 2]" 1
557 1 45 VAL HB 1 46 THR H . . 4.960 4.307 4.005 4.469 . 0 0 "[ . 1 . 2]" 1
558 1 45 VAL QG 1 46 THR H . . 3.580 2.879 2.233 3.503 . 0 0 "[ . 1 . 2]" 1
559 1 45 VAL QG 1 47 GLU H . . 3.950 2.982 1.913 3.920 . 0 0 "[ . 1 . 2]" 1
560 1 45 VAL QG 1 47 GLU QB . . 4.170 3.296 2.230 4.057 . 0 0 "[ . 1 . 2]" 1
561 1 46 THR H 1 46 THR MG . . 3.700 3.180 2.125 3.793 0.093 17 0 "[ . 1 . 2]" 1
562 1 46 THR H 1 47 GLU H . . 3.960 3.506 1.990 3.968 0.008 12 0 "[ . 1 . 2]" 1
563 1 46 THR H 1 47 GLU QG . . 5.390 4.431 3.178 5.363 . 0 0 "[ . 1 . 2]" 1
564 1 46 THR H 1 75 THR HA . . 3.880 2.916 2.172 3.742 . 0 0 "[ . 1 . 2]" 1
565 1 46 THR H 1 75 THR MG . . 4.340 3.325 2.452 4.296 . 0 0 "[ . 1 . 2]" 1
566 1 46 THR H 1 76 CYS H . . 5.450 4.441 3.524 5.183 . 0 0 "[ . 1 . 2]" 1
567 1 46 THR HA 1 46 THR MG . . 3.420 2.535 2.088 3.206 . 0 0 "[ . 1 . 2]" 1
568 1 46 THR HA 1 49 ALA MB . . 3.760 2.980 2.132 3.596 . 0 0 "[ . 1 . 2]" 1
569 1 46 THR HB 1 47 GLU H . . 4.500 4.194 2.744 4.538 0.038 12 0 "[ . 1 . 2]" 1
570 1 46 THR HB 1 49 ALA MB . . 4.040 3.589 2.112 4.070 0.030 8 0 "[ . 1 . 2]" 1
571 1 47 GLU H 1 47 GLU QB . . 3.580 2.558 2.170 3.174 . 0 0 "[ . 1 . 2]" 1
572 1 47 GLU H 1 47 GLU QG . . 4.210 2.923 1.930 3.935 . 0 0 "[ . 1 . 2]" 1
573 1 47 GLU H 1 48 ASP H . . 4.440 3.419 1.844 4.435 . 0 0 "[ . 1 . 2]" 1
574 1 47 GLU HA 1 47 GLU QG . . 3.790 2.588 2.129 3.456 . 0 0 "[ . 1 . 2]" 1
575 1 47 GLU HA 1 48 ASP H . . 3.490 2.692 2.139 3.529 0.039 8 0 "[ . 1 . 2]" 1
576 1 47 GLU QB 1 48 ASP H . . 3.950 3.282 2.690 3.905 . 0 0 "[ . 1 . 2]" 1
577 1 48 ASP H 1 48 ASP HB2 . . 4.190 3.064 2.338 3.849 . 0 0 "[ . 1 . 2]" 1
578 1 48 ASP H 1 48 ASP QB . . 3.600 2.829 2.307 3.336 . 0 0 "[ . 1 . 2]" 1
579 1 48 ASP H 1 48 ASP HB3 . . 4.190 3.475 2.813 4.012 . 0 0 "[ . 1 . 2]" 1
580 1 48 ASP H 1 49 ALA H . . 3.580 2.795 1.910 3.075 . 0 0 "[ . 1 . 2]" 1
581 1 48 ASP HA 1 49 ALA H . . 3.300 2.834 2.679 3.237 . 0 0 "[ . 1 . 2]" 1
582 1 48 ASP HA 1 50 GLY H . . 4.890 4.024 3.231 4.780 . 0 0 "[ . 1 . 2]" 1
583 1 48 ASP HB2 1 49 ALA H . . 4.650 4.477 4.045 4.642 . 0 0 "[ . 1 . 2]" 1
584 1 48 ASP HB3 1 49 ALA H . . 4.650 4.284 4.089 4.633 . 0 0 "[ . 1 . 2]" 1
585 1 49 ALA H 1 49 ALA MB . . 3.150 2.255 2.083 2.476 . 0 0 "[ . 1 . 2]" 1
586 1 49 ALA H 1 50 GLY H . . 3.710 2.765 2.136 3.698 . 0 0 "[ . 1 . 2]" 1
587 1 49 ALA MB 1 50 GLY H . . 3.850 2.835 2.056 3.708 . 0 0 "[ . 1 . 2]" 1
588 1 49 ALA MB 1 94 TYR QE . . 4.150 2.659 1.951 3.903 . 0 0 "[ . 1 . 2]" 1
589 1 50 GLY H 1 51 GLU H . . 4.630 4.166 2.015 4.640 0.010 8 0 "[ . 1 . 2]" 1
590 1 50 GLY QA 1 51 GLU H . . 3.030 2.263 2.112 2.730 . 0 0 "[ . 1 . 2]" 1
591 1 51 GLU H 1 51 GLU HB2 . . 3.990 3.079 2.298 3.988 . 0 0 "[ . 1 . 2]" 1
592 1 51 GLU H 1 51 GLU QB . . 3.270 2.571 2.236 3.272 0.002 2 0 "[ . 1 . 2]" 1
593 1 51 GLU H 1 51 GLU HB3 . . 3.990 2.960 2.414 3.789 . 0 0 "[ . 1 . 2]" 1
594 1 51 GLU H 1 51 GLU QG . . 3.980 3.132 1.874 3.980 0.000 1 0 "[ . 1 . 2]" 1
595 1 51 GLU H 1 52 GLY H . . 4.120 3.753 2.606 4.113 . 0 0 "[ . 1 . 2]" 1
596 1 51 GLU HA 1 52 GLY H . . 3.170 2.397 2.144 3.044 . 0 0 "[ . 1 . 2]" 1
597 1 51 GLU QB 1 52 GLY H . . 4.030 3.826 3.238 4.042 0.012 11 0 "[ . 1 . 2]" 1
598 1 51 GLU HB2 1 52 GLY H . . 4.600 4.307 3.382 4.602 0.002 8 0 "[ . 1 . 2]" 1
599 1 51 GLU HB3 1 52 GLY H . . 4.600 4.372 3.462 4.626 0.026 6 0 "[ . 1 . 2]" 1
600 1 51 GLU QG 1 52 GLY H . . 4.370 3.943 3.521 4.374 0.004 7 0 "[ . 1 . 2]" 1
601 1 52 GLY H 1 53 GLY H . . 4.100 2.868 1.800 3.603 . 0 0 "[ . 1 . 2]" 1
602 1 52 GLY H 1 94 TYR QE . . 5.180 4.176 2.839 5.179 . 0 0 "[ . 1 . 2]" 1
603 1 52 GLY QA 1 53 GLY H . . 3.130 2.403 2.116 2.779 . 0 0 "[ . 1 . 2]" 1
604 1 53 GLY H 1 54 LEU H . . 3.900 3.227 2.269 3.896 . 0 0 "[ . 1 . 2]" 1
605 1 53 GLY H 1 94 TYR QD . . 5.040 4.344 3.212 5.041 0.001 1 0 "[ . 1 . 2]" 1
606 1 53 GLY H 1 94 TYR QE . . 4.980 3.874 2.135 4.978 . 0 0 "[ . 1 . 2]" 1
607 1 53 GLY H 1 95 ASN H . . 4.530 3.906 2.825 4.530 . 0 0 "[ . 1 . 2]" 1
608 1 53 GLY QA 1 54 LEU H . . 3.050 2.336 2.113 2.692 . 0 0 "[ . 1 . 2]" 1
609 1 53 GLY QA 1 95 ASN H . . 4.680 3.510 2.263 4.400 . 0 0 "[ . 1 . 2]" 1
610 1 53 GLY HA2 1 95 ASN H . . 5.480 4.697 3.236 5.443 . 0 0 "[ . 1 . 2]" 1
611 1 53 GLY HA3 1 95 ASN H . . 5.480 3.639 2.285 4.657 . 0 0 "[ . 1 . 2]" 1
612 1 54 LEU H 1 54 LEU QB . . 3.050 2.266 2.136 2.592 . 0 0 "[ . 1 . 2]" 1
613 1 54 LEU H 1 54 LEU MD1 . . 4.770 4.345 4.203 4.466 . 0 0 "[ . 1 . 2]" 1
614 1 54 LEU H 1 54 LEU MD2 . . 5.060 4.107 3.426 4.578 . 0 0 "[ . 1 . 2]" 1
615 1 54 LEU H 1 54 LEU HG . . 4.390 4.340 4.229 4.407 0.017 4 0 "[ . 1 . 2]" 1
616 1 54 LEU H 1 55 ASP H . . 4.730 4.418 4.045 4.591 . 0 0 "[ . 1 . 2]" 1
617 1 54 LEU HA 1 54 LEU MD1 . . 3.580 2.537 2.023 3.609 0.029 20 0 "[ . 1 . 2]" 1
618 1 54 LEU HA 1 55 ASP H . . 3.130 2.186 2.139 2.292 . 0 0 "[ . 1 . 2]" 1
619 1 54 LEU HA 1 94 TYR QD . . 4.270 3.289 2.022 4.127 . 0 0 "[ . 1 . 2]" 1
620 1 54 LEU QB 1 54 LEU MD2 . . 3.150 2.064 1.958 2.156 . 0 0 "[ . 1 . 2]" 1
621 1 54 LEU QB 1 55 ASP H . . 4.410 3.717 3.371 3.954 . 0 0 "[ . 1 . 2]" 1
622 1 54 LEU QB 1 94 TYR QD . . 3.940 3.163 2.383 3.932 . 0 0 "[ . 1 . 2]" 1
623 1 54 LEU QB 1 94 TYR QE . . 4.130 3.305 2.411 4.117 . 0 0 "[ . 1 . 2]" 1
624 1 54 LEU MD1 1 55 ASP H . . 3.900 2.868 2.149 3.803 . 0 0 "[ . 1 . 2]" 1
625 1 54 LEU MD1 1 55 ASP QB . . 5.340 4.636 4.064 5.355 0.015 2 0 "[ . 1 . 2]" 1
626 1 54 LEU MD1 1 94 TYR HA . . 4.680 3.512 2.798 4.585 . 0 0 "[ . 1 . 2]" 1
627 1 54 LEU MD1 1 94 TYR QB . . 4.250 3.464 2.478 4.122 . 0 0 "[ . 1 . 2]" 1
628 1 54 LEU MD1 1 94 TYR QD . . 3.520 2.586 1.979 3.059 . 0 0 "[ . 1 . 2]" 1
629 1 54 LEU MD1 1 94 TYR QE . . 4.560 3.489 2.566 4.561 0.001 6 0 "[ . 1 . 2]" 1
630 1 54 LEU HG 1 55 ASP H . . 3.900 3.043 2.041 3.847 . 0 0 "[ . 1 . 2]" 1
631 1 54 LEU HG 1 94 TYR QD . . 5.500 4.966 4.076 5.420 . 0 0 "[ . 1 . 2]" 1
632 1 55 ASP H 1 55 ASP HB2 . . 4.010 2.673 2.419 3.340 . 0 0 "[ . 1 . 2]" 1
633 1 55 ASP H 1 55 ASP HB3 . . 4.010 3.354 2.461 3.829 . 0 0 "[ . 1 . 2]" 1
634 1 55 ASP H 1 56 LEU H . . 4.630 4.363 4.035 4.523 . 0 0 "[ . 1 . 2]" 1
635 1 55 ASP H 1 93 LYS H . . 4.000 3.377 2.653 3.932 . 0 0 "[ . 1 . 2]" 1
636 1 55 ASP H 1 94 TYR HA . . 4.310 3.474 2.744 4.081 . 0 0 "[ . 1 . 2]" 1
637 1 55 ASP HA 1 56 LEU H . . 3.030 2.183 2.140 2.252 . 0 0 "[ . 1 . 2]" 1
638 1 55 ASP QB 1 56 LEU H . . 3.900 3.337 2.878 3.752 . 0 0 "[ . 1 . 2]" 1
639 1 55 ASP QB 1 92 VAL MG1 . . 5.340 4.583 4.008 5.008 . 0 0 "[ . 1 . 2]" 1
640 1 55 ASP QB 1 93 LYS H . . 4.070 3.073 2.334 3.824 . 0 0 "[ . 1 . 2]" 1
641 1 55 ASP QB 1 93 LYS HB2 . . 3.360 2.474 2.001 3.035 . 0 0 "[ . 1 . 2]" 1
642 1 55 ASP QB 1 93 LYS HB3 . . 3.890 3.258 2.041 3.702 . 0 0 "[ . 1 . 2]" 1
643 1 55 ASP QB 1 93 LYS QG . . 5.180 4.099 3.651 4.499 . 0 0 "[ . 1 . 2]" 1
644 1 55 ASP HB2 1 56 LEU H . . 4.440 4.258 3.776 4.447 0.007 10 0 "[ . 1 . 2]" 1
645 1 55 ASP HB2 1 93 LYS H . . 4.810 3.753 2.713 4.805 . 0 0 "[ . 1 . 2]" 1
646 1 55 ASP HB2 1 93 LYS HB2 . . 3.870 3.005 2.012 3.867 . 0 0 "[ . 1 . 2]" 1
647 1 55 ASP HB3 1 56 LEU H . . 4.440 3.521 2.934 4.142 . 0 0 "[ . 1 . 2]" 1
648 1 55 ASP HB3 1 93 LYS H . . 4.810 3.638 2.359 4.664 . 0 0 "[ . 1 . 2]" 1
649 1 55 ASP HB3 1 93 LYS HB2 . . 3.870 3.121 2.065 3.861 . 0 0 "[ . 1 . 2]" 1
650 1 56 LEU H 1 56 LEU HB2 . . 3.840 2.620 2.281 2.926 . 0 0 "[ . 1 . 2]" 1
651 1 56 LEU H 1 56 LEU QB . . 3.180 2.497 2.254 2.651 . 0 0 "[ . 1 . 2]" 1
652 1 56 LEU H 1 56 LEU HB3 . . 3.840 3.348 2.881 3.720 . 0 0 "[ . 1 . 2]" 1
653 1 56 LEU H 1 56 LEU MD1 . . 4.430 3.494 2.830 4.421 . 0 0 "[ . 1 . 2]" 1
654 1 56 LEU H 1 56 LEU HG . . 4.850 4.408 4.036 4.725 . 0 0 "[ . 1 . 2]" 1
655 1 56 LEU H 1 57 ALA H . . 4.800 4.338 4.007 4.492 . 0 0 "[ . 1 . 2]" 1
656 1 56 LEU HA 1 56 LEU MD1 . . 3.630 2.808 2.042 3.590 . 0 0 "[ . 1 . 2]" 1
657 1 56 LEU HA 1 56 LEU MD2 . . 3.980 3.642 3.102 3.829 . 0 0 "[ . 1 . 2]" 1
658 1 56 LEU HA 1 57 ALA H . . 2.970 2.187 2.139 2.278 . 0 0 "[ . 1 . 2]" 1
659 1 56 LEU HA 1 57 ALA MB . . 4.440 3.905 3.778 4.058 . 0 0 "[ . 1 . 2]" 1
660 1 56 LEU HA 1 92 VAL HA . . 3.940 2.715 2.192 3.092 . 0 0 "[ . 1 . 2]" 1
661 1 56 LEU HA 1 93 LYS H . . 4.280 3.711 3.228 4.176 . 0 0 "[ . 1 . 2]" 1
662 1 56 LEU QB 1 56 LEU MD1 . . 3.100 2.126 1.954 2.239 . 0 0 "[ . 1 . 2]" 1
663 1 56 LEU QB 1 57 ALA H . . 4.220 3.297 2.749 3.842 . 0 0 "[ . 1 . 2]" 1
664 1 56 LEU QB 1 66 ILE MD . . 5.340 3.144 2.389 4.117 . 0 0 "[ . 1 . 2]" 1
665 1 56 LEU QB 1 66 ILE MG . . 3.950 3.136 2.333 3.791 . 0 0 "[ . 1 . 2]" 1
666 1 56 LEU HB2 1 57 ALA H . . 4.880 4.311 4.058 4.538 . 0 0 "[ . 1 . 2]" 1
667 1 56 LEU HB3 1 57 ALA H . . 4.880 3.448 2.796 4.148 . 0 0 "[ . 1 . 2]" 1
668 1 56 LEU MD1 1 57 ALA H . . 4.980 4.345 3.196 4.801 . 0 0 "[ . 1 . 2]" 1
669 1 56 LEU MD1 1 68 CYS QB . . 4.180 3.780 2.873 4.178 . 0 0 "[ . 1 . 2]" 1
670 1 56 LEU MD1 1 78 VAL MG2 . . 3.340 2.844 2.191 3.335 . 0 0 "[ . 1 . 2]" 1
671 1 56 LEU MD1 1 92 VAL HA . . 4.350 3.858 2.798 4.333 . 0 0 "[ . 1 . 2]" 1
672 1 56 LEU MD2 1 57 ALA H . . 4.760 4.175 3.028 4.708 . 0 0 "[ . 1 . 2]" 1
673 1 56 LEU MD2 1 68 CYS HB2 . . 5.500 4.053 2.446 5.451 . 0 0 "[ . 1 . 2]" 1
674 1 56 LEU MD2 1 68 CYS QB . . 4.640 3.220 1.926 4.327 . 0 0 "[ . 1 . 2]" 1
675 1 56 LEU MD2 1 68 CYS HB3 . . 5.500 3.613 1.968 5.166 . 0 0 "[ . 1 . 2]" 1
676 1 56 LEU MD2 1 78 VAL MG2 . . 3.650 2.097 1.721 3.514 . 0 0 "[ . 1 . 2]" 1
677 1 56 LEU HG 1 57 ALA H . . 3.990 3.423 2.209 3.912 . 0 0 "[ . 1 . 2]" 1
678 1 56 LEU HG 1 92 VAL HA . . 5.270 3.832 2.881 5.037 . 0 0 "[ . 1 . 2]" 1
679 1 57 ALA H 1 57 ALA MB . . 3.380 2.704 2.528 2.890 . 0 0 "[ . 1 . 2]" 1
680 1 57 ALA H 1 58 ILE H . . 4.660 4.157 3.897 4.411 . 0 0 "[ . 1 . 2]" 1
681 1 57 ALA H 1 91 LEU H . . 4.080 3.572 3.072 3.954 . 0 0 "[ . 1 . 2]" 1
682 1 57 ALA H 1 91 LEU QB . . 3.900 3.681 3.170 3.897 . 0 0 "[ . 1 . 2]" 1
683 1 57 ALA HA 1 58 ILE H . . 2.830 2.195 2.141 2.414 . 0 0 "[ . 1 . 2]" 1
684 1 57 ALA HA 1 58 ILE HB . . 4.710 4.561 4.423 4.650 . 0 0 "[ . 1 . 2]" 1
685 1 57 ALA HA 1 66 ILE MD . . 4.150 2.859 1.918 3.583 . 0 0 "[ . 1 . 2]" 1
686 1 57 ALA MB 1 58 ILE H . . 3.330 3.016 2.402 3.256 . 0 0 "[ . 1 . 2]" 1
687 1 57 ALA MB 1 59 GLU QG . . 4.060 3.798 3.592 3.960 . 0 0 "[ . 1 . 2]" 1
688 1 57 ALA MB 1 91 LEU H . . 4.350 3.916 3.488 4.204 . 0 0 "[ . 1 . 2]" 1
689 1 57 ALA MB 1 91 LEU QB . . 3.410 2.627 1.968 2.902 . 0 0 "[ . 1 . 2]" 1
690 1 57 ALA MB 1 91 LEU MD1 . . 3.390 3.035 2.409 3.370 . 0 0 "[ . 1 . 2]" 1
691 1 58 ILE H 1 58 ILE HB . . 3.440 2.649 2.498 2.854 . 0 0 "[ . 1 . 2]" 1
692 1 58 ILE H 1 58 ILE MD . . 4.630 4.014 3.721 4.431 . 0 0 "[ . 1 . 2]" 1
693 1 58 ILE H 1 58 ILE HG12 . . 4.500 4.029 3.801 4.219 . 0 0 "[ . 1 . 2]" 1
694 1 58 ILE H 1 58 ILE HG13 . . 3.290 2.870 2.552 3.276 . 0 0 "[ . 1 . 2]" 1
695 1 58 ILE H 1 58 ILE MG . . 4.080 3.844 3.774 3.923 . 0 0 "[ . 1 . 2]" 1
696 1 58 ILE H 1 59 GLU H . . 4.520 4.431 4.302 4.530 0.010 17 0 "[ . 1 . 2]" 1
697 1 58 ILE H 1 66 ILE MD . . 3.590 2.628 2.095 3.317 . 0 0 "[ . 1 . 2]" 1
698 1 58 ILE HA 1 58 ILE MD . . 4.660 3.839 3.775 3.880 . 0 0 "[ . 1 . 2]" 1
699 1 58 ILE HA 1 58 ILE HG12 . . 4.030 2.558 2.431 2.676 . 0 0 "[ . 1 . 2]" 1
700 1 58 ILE HA 1 58 ILE HG13 . . 4.190 2.947 2.830 3.070 . 0 0 "[ . 1 . 2]" 1
701 1 58 ILE HA 1 58 ILE MG . . 3.590 2.383 2.287 2.461 . 0 0 "[ . 1 . 2]" 1
702 1 58 ILE HA 1 59 GLU H . . 3.090 2.207 2.166 2.279 . 0 0 "[ . 1 . 2]" 1
703 1 58 ILE HA 1 90 ILE HA . . 3.960 2.332 2.009 2.539 . 0 0 "[ . 1 . 2]" 1
704 1 58 ILE HA 1 90 ILE MG . . 4.630 3.610 2.987 3.957 . 0 0 "[ . 1 . 2]" 1
705 1 58 ILE HA 1 91 LEU H . . 3.320 2.780 2.494 3.238 . 0 0 "[ . 1 . 2]" 1
706 1 58 ILE HB 1 58 ILE MD . . 3.540 2.339 2.246 2.500 . 0 0 "[ . 1 . 2]" 1
707 1 58 ILE HB 1 59 GLU H . . 5.260 4.017 3.903 4.170 . 0 0 "[ . 1 . 2]" 1
708 1 58 ILE HB 1 64 ALA H . . 4.840 4.497 3.920 4.842 0.002 16 0 "[ . 1 . 2]" 1
709 1 58 ILE HB 1 64 ALA MB . . 4.290 3.803 3.278 4.279 . 0 0 "[ . 1 . 2]" 1
710 1 58 ILE HB 1 66 ILE MD . . 3.280 2.685 2.098 3.085 . 0 0 "[ . 1 . 2]" 1
711 1 58 ILE MD 1 58 ILE MG . . 3.290 2.080 1.928 2.255 . 0 0 "[ . 1 . 2]" 1
712 1 58 ILE MD 1 64 ALA MB . . 3.920 3.418 2.943 3.783 . 0 0 "[ . 1 . 2]" 1
713 1 58 ILE MD 1 66 ILE MD . . 3.670 2.426 1.937 2.924 . 0 0 "[ . 1 . 2]" 1
714 1 58 ILE MD 1 66 ILE HG12 . . 3.710 2.282 1.938 2.697 . 0 0 "[ . 1 . 2]" 1
715 1 58 ILE MD 1 66 ILE HG13 . . 4.450 3.279 2.882 3.687 . 0 0 "[ . 1 . 2]" 1
716 1 58 ILE MD 1 80 TYR HB2 . . 3.930 3.477 3.012 3.900 . 0 0 "[ . 1 . 2]" 1
717 1 58 ILE MD 1 80 TYR HB3 . . 3.930 3.367 3.042 3.791 . 0 0 "[ . 1 . 2]" 1
718 1 58 ILE MD 1 80 TYR QD . . 4.210 3.322 3.085 3.715 . 0 0 "[ . 1 . 2]" 1
719 1 58 ILE MD 1 90 ILE HA . . 4.700 4.173 3.853 4.462 . 0 0 "[ . 1 . 2]" 1
720 1 58 ILE MD 1 90 ILE MD . . 3.920 3.467 2.999 3.870 . 0 0 "[ . 1 . 2]" 1
721 1 58 ILE MD 1 90 ILE HG12 . . 3.760 2.710 2.302 3.092 . 0 0 "[ . 1 . 2]" 1
722 1 58 ILE MD 1 90 ILE HG13 . . 4.630 4.063 3.711 4.457 . 0 0 "[ . 1 . 2]" 1
723 1 58 ILE MD 1 90 ILE MG . . 4.110 3.129 2.741 3.560 . 0 0 "[ . 1 . 2]" 1
724 1 58 ILE HG12 1 58 ILE MG . . 3.630 2.319 2.209 2.446 . 0 0 "[ . 1 . 2]" 1
725 1 58 ILE HG12 1 59 GLU H . . 4.300 4.226 3.998 4.300 . 0 0 "[ . 1 . 2]" 1
726 1 58 ILE HG12 1 66 ILE MD . . 4.060 3.738 3.398 4.049 . 0 0 "[ . 1 . 2]" 1
727 1 58 ILE HG12 1 90 ILE HA . . 3.920 2.672 2.293 3.012 . 0 0 "[ . 1 . 2]" 1
728 1 58 ILE HG12 1 90 ILE HG12 . . 4.250 2.311 2.048 2.782 . 0 0 "[ . 1 . 2]" 1
729 1 58 ILE HG12 1 90 ILE HG13 . . 4.340 3.621 3.280 4.128 . 0 0 "[ . 1 . 2]" 1
730 1 58 ILE HG12 1 90 ILE MG . . 3.430 2.421 1.987 2.903 . 0 0 "[ . 1 . 2]" 1
731 1 58 ILE HG12 1 91 LEU H . . 3.930 3.610 3.204 3.895 . 0 0 "[ . 1 . 2]" 1
732 1 58 ILE HG13 1 59 GLU H . . 5.020 4.927 4.778 5.011 . 0 0 "[ . 1 . 2]" 1
733 1 58 ILE HG13 1 66 ILE MD . . 3.640 2.287 1.992 2.736 . 0 0 "[ . 1 . 2]" 1
734 1 58 ILE HG13 1 66 ILE HG12 . . 4.400 3.684 3.018 4.333 . 0 0 "[ . 1 . 2]" 1
735 1 58 ILE HG13 1 90 ILE HA . . 4.660 3.979 3.594 4.285 . 0 0 "[ . 1 . 2]" 1
736 1 58 ILE HG13 1 90 ILE HG12 . . 4.440 4.004 3.712 4.415 . 0 0 "[ . 1 . 2]" 1
737 1 58 ILE HG13 1 90 ILE MG . . 4.180 3.362 2.966 3.896 . 0 0 "[ . 1 . 2]" 1
738 1 58 ILE HG13 1 91 LEU H . . 4.390 4.121 3.691 4.391 0.001 12 0 "[ . 1 . 2]" 1
739 1 58 ILE MG 1 59 GLU H . . 3.690 2.113 1.898 2.329 . 0 0 "[ . 1 . 2]" 1
740 1 58 ILE MG 1 59 GLU HA . . 4.830 3.517 3.239 3.653 . 0 0 "[ . 1 . 2]" 1
741 1 58 ILE MG 1 64 ALA H . . 4.610 4.243 3.891 4.607 . 0 0 "[ . 1 . 2]" 1
742 1 58 ILE MG 1 64 ALA MB . . 3.460 3.248 2.890 3.457 . 0 0 "[ . 1 . 2]" 1
743 1 58 ILE MG 1 88 TYR HA . . 4.730 4.047 3.579 4.478 . 0 0 "[ . 1 . 2]" 1
744 1 58 ILE MG 1 88 TYR HB2 . . 4.250 3.900 3.558 4.211 . 0 0 "[ . 1 . 2]" 1
745 1 58 ILE MG 1 88 TYR HB3 . . 3.940 2.577 2.281 2.936 . 0 0 "[ . 1 . 2]" 1
746 1 58 ILE MG 1 88 TYR QD . . 3.530 2.471 2.177 2.832 . 0 0 "[ . 1 . 2]" 1
747 1 58 ILE MG 1 88 TYR QE . . 4.360 3.816 3.486 4.148 . 0 0 "[ . 1 . 2]" 1
748 1 59 GLU H 1 59 GLU QB . . 3.520 2.515 2.379 2.636 . 0 0 "[ . 1 . 2]" 1
749 1 59 GLU H 1 59 GLU QG . . 3.570 3.275 2.819 3.518 . 0 0 "[ . 1 . 2]" 1
750 1 59 GLU H 1 60 GLY H . . 4.590 4.460 4.413 4.514 . 0 0 "[ . 1 . 2]" 1
751 1 59 GLU H 1 89 SER H . . 3.960 3.500 3.246 3.909 . 0 0 "[ . 1 . 2]" 1
752 1 59 GLU H 1 89 SER QB . . 3.970 3.449 3.130 3.846 . 0 0 "[ . 1 . 2]" 1
753 1 59 GLU H 1 90 ILE HA . . 4.670 3.241 2.568 3.609 . 0 0 "[ . 1 . 2]" 1
754 1 59 GLU H 1 91 LEU MD1 . . 4.410 4.021 3.678 4.295 . 0 0 "[ . 1 . 2]" 1
755 1 59 GLU HA 1 59 GLU QG . . 3.550 2.608 2.217 2.890 . 0 0 "[ . 1 . 2]" 1
756 1 59 GLU HA 1 60 GLY H . . 2.860 2.457 2.320 2.578 . 0 0 "[ . 1 . 2]" 1
757 1 59 GLU QB 1 60 GLY H . . 3.450 2.315 2.073 2.611 . 0 0 "[ . 1 . 2]" 1
758 1 59 GLU QB 1 89 SER H . . 4.200 3.500 3.223 3.663 . 0 0 "[ . 1 . 2]" 1
759 1 59 GLU QB 1 89 SER QB . . 3.200 2.333 1.966 2.572 . 0 0 "[ . 1 . 2]" 1
760 1 59 GLU QB 1 91 LEU MD1 . . 3.890 3.127 2.811 3.599 . 0 0 "[ . 1 . 2]" 1
761 1 59 GLU HB2 1 60 GLY H . . 3.970 3.696 3.479 3.961 . 0 0 "[ . 1 . 2]" 1
762 1 59 GLU HB2 1 89 SER H . . 4.960 3.740 3.403 3.988 . 0 0 "[ . 1 . 2]" 1
763 1 59 GLU HB2 1 89 SER QB . . 3.750 2.391 1.983 2.717 . 0 0 "[ . 1 . 2]" 1
764 1 59 GLU HB3 1 60 GLY H . . 3.970 2.340 2.087 2.648 . 0 0 "[ . 1 . 2]" 1
765 1 59 GLU HB3 1 89 SER H . . 4.960 4.247 3.867 4.788 . 0 0 "[ . 1 . 2]" 1
766 1 59 GLU HB3 1 89 SER QB . . 3.750 3.330 2.948 3.690 . 0 0 "[ . 1 . 2]" 1
767 1 59 GLU QG 1 60 GLY H . . 4.090 3.946 3.557 4.096 0.006 15 0 "[ . 1 . 2]" 1
768 1 59 GLU QG 1 89 SER QB . . 4.110 3.964 3.528 4.112 0.002 6 0 "[ . 1 . 2]" 1
769 1 59 GLU QG 1 91 LEU MD1 . . 3.420 2.620 2.103 2.997 . 0 0 "[ . 1 . 2]" 1
770 1 60 GLY H 1 61 PRO QD . . 4.750 4.302 4.264 4.328 . 0 0 "[ . 1 . 2]" 1
771 1 60 GLY H 1 62 SER H . . 4.440 4.282 4.139 4.452 0.012 16 0 "[ . 1 . 2]" 1
772 1 60 GLY HA2 1 61 PRO HD2 . . 3.690 3.105 2.991 3.183 . 0 0 "[ . 1 . 2]" 1
773 1 60 GLY HA2 1 61 PRO HD3 . . 3.690 2.815 2.702 2.897 . 0 0 "[ . 1 . 2]" 1
774 1 60 GLY HA2 1 61 PRO HG2 . . 5.230 5.113 5.013 5.183 . 0 0 "[ . 1 . 2]" 1
775 1 60 GLY HA2 1 61 PRO HG3 . . 5.150 5.042 4.932 5.122 . 0 0 "[ . 1 . 2]" 1
776 1 60 GLY HA2 1 62 SER H . . 4.430 4.317 4.204 4.461 0.031 11 0 "[ . 1 . 2]" 1
777 1 60 GLY HA2 1 88 TYR HA . . 4.450 3.182 2.614 3.588 . 0 0 "[ . 1 . 2]" 1
778 1 60 GLY HA2 1 88 TYR QE . . 5.500 5.001 4.323 5.328 . 0 0 "[ . 1 . 2]" 1
779 1 60 GLY HA2 1 89 SER H . . 4.520 3.307 2.607 3.706 . 0 0 "[ . 1 . 2]" 1
780 1 60 GLY HA3 1 61 PRO HD2 . . 3.710 2.021 1.977 2.095 . 0 0 "[ . 1 . 2]" 1
781 1 60 GLY HA3 1 61 PRO QD . . 3.250 1.978 1.934 2.052 . 0 0 "[ . 1 . 2]" 1
782 1 60 GLY HA3 1 61 PRO HD3 . . 3.710 2.818 2.737 2.934 . 0 0 "[ . 1 . 2]" 1
783 1 60 GLY HA3 1 61 PRO HG2 . . 4.620 4.172 4.145 4.220 . 0 0 "[ . 1 . 2]" 1
784 1 60 GLY HA3 1 61 PRO HG3 . . 4.680 4.589 4.529 4.680 0.000 3 0 "[ . 1 . 2]" 1
785 1 60 GLY HA3 1 62 SER H . . 4.900 3.187 3.103 3.295 . 0 0 "[ . 1 . 2]" 1
786 1 60 GLY HA3 1 88 TYR HA . . 4.280 2.795 2.336 3.061 . 0 0 "[ . 1 . 2]" 1
787 1 60 GLY HA3 1 89 SER H . . 4.620 3.648 3.278 4.168 . 0 0 "[ . 1 . 2]" 1
788 1 61 PRO HB2 1 62 SER H . . 4.070 3.669 3.492 3.786 . 0 0 "[ . 1 . 2]" 1
789 1 61 PRO HB2 1 84 LEU HB2 . . 4.370 3.334 2.856 3.739 . 0 0 "[ . 1 . 2]" 1
790 1 61 PRO HB2 1 84 LEU HB3 . . 4.500 3.980 3.485 4.502 0.002 4 0 "[ . 1 . 2]" 1
791 1 61 PRO HB2 1 84 LEU MD1 . . 3.630 2.977 2.578 3.265 . 0 0 "[ . 1 . 2]" 1
792 1 61 PRO HB3 1 62 SER H . . 4.400 4.335 4.232 4.402 0.002 19 0 "[ . 1 . 2]" 1
793 1 61 PRO HB3 1 84 LEU MD1 . . 4.790 4.503 4.162 4.767 . 0 0 "[ . 1 . 2]" 1
794 1 61 PRO QD 1 62 SER H . . 3.920 2.698 2.622 2.769 . 0 0 "[ . 1 . 2]" 1
795 1 61 PRO QD 1 87 ASP H . . 4.830 4.100 3.760 4.411 . 0 0 "[ . 1 . 2]" 1
796 1 61 PRO QD 1 88 TYR HA . . 4.760 3.278 2.925 3.590 . 0 0 "[ . 1 . 2]" 1
797 1 61 PRO QD 1 88 TYR QE . . 4.380 3.173 2.825 3.421 . 0 0 "[ . 1 . 2]" 1
798 1 61 PRO HD2 1 62 SER H . . 4.460 2.751 2.668 2.829 . 0 0 "[ . 1 . 2]" 1
799 1 61 PRO HD2 1 87 ASP H . . 5.500 5.326 5.113 5.468 . 0 0 "[ . 1 . 2]" 1
800 1 61 PRO HD2 1 88 TYR QD . . 4.910 3.512 3.253 3.743 . 0 0 "[ . 1 . 2]" 1
801 1 61 PRO HD2 1 88 TYR QE . . 5.000 3.228 2.866 3.484 . 0 0 "[ . 1 . 2]" 1
802 1 61 PRO HD3 1 62 SER H . . 4.460 3.897 3.853 3.938 . 0 0 "[ . 1 . 2]" 1
803 1 61 PRO HD3 1 87 ASP H . . 5.500 4.267 3.849 4.655 . 0 0 "[ . 1 . 2]" 1
804 1 61 PRO HD3 1 88 TYR QD . . 4.910 4.634 4.241 4.901 . 0 0 "[ . 1 . 2]" 1
805 1 61 PRO HD3 1 88 TYR QE . . 5.000 4.688 4.276 4.992 . 0 0 "[ . 1 . 2]" 1
806 1 61 PRO HG2 1 62 SER H . . 3.750 2.839 2.576 3.024 . 0 0 "[ . 1 . 2]" 1
807 1 61 PRO HG2 1 62 SER HB2 . . 4.760 3.560 3.180 4.333 . 0 0 "[ . 1 . 2]" 1
808 1 61 PRO HG2 1 62 SER QB . . 4.020 3.337 3.141 4.061 0.041 16 0 "[ . 1 . 2]" 1
809 1 61 PRO HG2 1 62 SER HB3 . . 4.760 4.116 3.546 4.904 0.144 16 0 "[ . 1 . 2]" 1
810 1 61 PRO HG2 1 84 LEU HB2 . . 4.310 2.894 2.628 3.179 . 0 0 "[ . 1 . 2]" 1
811 1 61 PRO HG2 1 86 GLY HA2 . . 5.500 5.376 5.260 5.502 0.002 4 0 "[ . 1 . 2]" 1
812 1 61 PRO HG2 1 86 GLY HA3 . . 4.380 3.667 3.543 3.798 . 0 0 "[ . 1 . 2]" 1
813 1 61 PRO HG2 1 88 TYR QE . . 4.270 3.786 3.500 4.015 . 0 0 "[ . 1 . 2]" 1
814 1 61 PRO HG2 1 88 TYR HH . . 4.590 3.273 2.712 4.173 . 0 0 "[ . 1 . 2]" 1
815 1 61 PRO HG3 1 62 SER H . . 4.920 4.232 4.035 4.371 . 0 0 "[ . 1 . 2]" 1
816 1 61 PRO HG3 1 86 GLY HA2 . . 4.400 3.935 3.739 4.260 . 0 0 "[ . 1 . 2]" 1
817 1 61 PRO HG3 1 86 GLY HA3 . . 4.070 2.206 2.000 2.554 . 0 0 "[ . 1 . 2]" 1
818 1 61 PRO HG3 1 87 ASP H . . 4.930 4.405 3.981 4.770 . 0 0 "[ . 1 . 2]" 1
819 1 61 PRO HG3 1 88 TYR QE . . 4.820 4.529 4.090 4.812 . 0 0 "[ . 1 . 2]" 1
820 1 62 SER H 1 62 SER HB2 . . 3.900 3.111 2.671 3.461 . 0 0 "[ . 1 . 2]" 1
821 1 62 SER H 1 62 SER HB3 . . 3.900 3.180 2.872 3.781 . 0 0 "[ . 1 . 2]" 1
822 1 62 SER H 1 62 SER HG . . 4.950 4.684 3.718 4.938 . 0 0 "[ . 1 . 2]" 1
823 1 62 SER H 1 63 LYS H . . 4.470 4.349 4.241 4.408 . 0 0 "[ . 1 . 2]" 1
824 1 62 SER H 1 64 ALA MB . . 5.500 5.374 5.110 5.506 0.006 20 0 "[ . 1 . 2]" 1
825 1 62 SER H 1 84 LEU HB2 . . 4.710 4.498 4.191 4.697 . 0 0 "[ . 1 . 2]" 1
826 1 62 SER H 1 84 LEU MD1 . . 4.630 4.469 4.310 4.630 0.000 15 0 "[ . 1 . 2]" 1
827 1 62 SER H 1 88 TYR QE . . 3.320 3.050 2.640 3.289 . 0 0 "[ . 1 . 2]" 1
828 1 62 SER H 1 88 TYR HH . . 4.290 3.660 2.851 4.292 0.002 15 0 "[ . 1 . 2]" 1
829 1 62 SER HA 1 63 LYS H . . 3.380 2.347 2.168 2.651 . 0 0 "[ . 1 . 2]" 1
830 1 62 SER QB 1 63 LYS H . . 3.650 3.190 2.195 3.634 . 0 0 "[ . 1 . 2]" 1
831 1 62 SER QB 1 83 THR H . . 4.180 3.314 2.914 3.824 . 0 0 "[ . 1 . 2]" 1
832 1 62 SER QB 1 84 LEU H . . 3.580 3.154 2.624 3.554 . 0 0 "[ . 1 . 2]" 1
833 1 62 SER QB 1 84 LEU HB2 . . 3.880 2.588 2.097 3.700 . 0 0 "[ . 1 . 2]" 1
834 1 62 SER QB 1 84 LEU MD1 . . 3.350 2.160 1.945 2.797 . 0 0 "[ . 1 . 2]" 1
835 1 62 SER QB 1 84 LEU HG . . 4.200 3.022 2.752 3.384 . 0 0 "[ . 1 . 2]" 1
836 1 62 SER HB2 1 63 LYS H . . 4.320 3.982 2.637 4.318 . 0 0 "[ . 1 . 2]" 1
837 1 62 SER HB2 1 83 THR H . . 5.040 4.568 3.101 5.050 0.010 15 0 "[ . 1 . 2]" 1
838 1 62 SER HB2 1 84 LEU H . . 4.370 3.851 3.141 4.299 . 0 0 "[ . 1 . 2]" 1
839 1 62 SER HB2 1 84 LEU MD1 . . 4.030 2.240 1.966 3.977 . 0 0 "[ . 1 . 2]" 1
840 1 62 SER HB2 1 84 LEU HG . . 4.970 3.218 2.864 4.385 . 0 0 "[ . 1 . 2]" 1
841 1 62 SER HB3 1 63 LYS H . . 4.320 3.377 2.348 3.910 . 0 0 "[ . 1 . 2]" 1
842 1 62 SER HB3 1 83 THR H . . 5.040 3.465 2.962 4.075 . 0 0 "[ . 1 . 2]" 1
843 1 62 SER HB3 1 84 LEU H . . 4.370 3.405 2.772 4.164 . 0 0 "[ . 1 . 2]" 1
844 1 62 SER HB3 1 84 LEU MD1 . . 4.030 3.445 2.857 3.747 . 0 0 "[ . 1 . 2]" 1
845 1 62 SER HB3 1 84 LEU HG . . 4.970 3.765 3.463 4.105 . 0 0 "[ . 1 . 2]" 1
846 1 62 SER HG 1 83 THR H . . 5.220 4.488 3.423 5.209 . 0 0 "[ . 1 . 2]" 1
847 1 63 LYS H 1 63 LYS HB2 . . 3.860 2.672 2.207 3.700 . 0 0 "[ . 1 . 2]" 1
848 1 63 LYS H 1 63 LYS QB . . 3.380 2.306 2.166 2.673 . 0 0 "[ . 1 . 2]" 1
849 1 63 LYS H 1 63 LYS HB3 . . 3.860 2.702 2.414 3.508 . 0 0 "[ . 1 . 2]" 1
850 1 63 LYS HA 1 63 LYS QG . . 3.690 2.567 2.179 3.377 . 0 0 "[ . 1 . 2]" 1
851 1 63 LYS HA 1 64 ALA H . . 2.940 2.178 2.141 2.256 . 0 0 "[ . 1 . 2]" 1
852 1 63 LYS HA 1 64 ALA MB . . 4.500 3.940 3.775 4.124 . 0 0 "[ . 1 . 2]" 1
853 1 63 LYS QB 1 63 LYS QD . . 2.790 2.276 2.053 2.507 . 0 0 "[ . 1 . 2]" 1
854 1 63 LYS QB 1 63 LYS QE . . 3.120 2.364 1.982 3.027 . 0 0 "[ . 1 . 2]" 1
855 1 63 LYS HB2 1 64 ALA H . . 4.530 4.221 2.867 4.531 0.001 8 0 "[ . 1 . 2]" 1
856 1 63 LYS HB3 1 64 ALA H . . 4.530 4.089 3.486 4.487 . 0 0 "[ . 1 . 2]" 1
857 1 63 LYS QE 1 63 LYS HG2 . . 3.900 2.760 2.104 3.468 . 0 0 "[ . 1 . 2]" 1
858 1 63 LYS QE 1 63 LYS HG3 . . 3.900 2.929 2.093 3.500 . 0 0 "[ . 1 . 2]" 1
859 1 63 LYS QG 1 64 ALA H . . 4.210 3.076 2.302 4.145 . 0 0 "[ . 1 . 2]" 1
860 1 63 LYS HG2 1 64 ALA H . . 4.820 3.700 2.482 4.817 . 0 0 "[ . 1 . 2]" 1
861 1 63 LYS HG3 1 64 ALA H . . 4.820 3.611 2.316 4.796 . 0 0 "[ . 1 . 2]" 1
862 1 64 ALA H 1 64 ALA MB . . 3.230 2.416 2.171 2.666 . 0 0 "[ . 1 . 2]" 1
863 1 64 ALA H 1 65 GLU H . . 4.620 4.398 4.028 4.573 . 0 0 "[ . 1 . 2]" 1
864 1 64 ALA HA 1 65 GLU H . . 2.970 2.207 2.143 2.344 . 0 0 "[ . 1 . 2]" 1
865 1 64 ALA HA 1 81 LEU H . . 5.500 4.942 4.457 5.341 . 0 0 "[ . 1 . 2]" 1
866 1 64 ALA MB 1 65 GLU H . . 3.600 2.980 2.497 3.304 . 0 0 "[ . 1 . 2]" 1
867 1 64 ALA MB 1 80 TYR HB2 . . 3.740 3.211 2.852 3.681 . 0 0 "[ . 1 . 2]" 1
868 1 64 ALA MB 1 80 TYR QD . . 3.840 2.670 2.089 3.007 . 0 0 "[ . 1 . 2]" 1
869 1 64 ALA MB 1 81 LEU H . . 4.060 3.446 2.869 3.801 . 0 0 "[ . 1 . 2]" 1
870 1 64 ALA MB 1 82 PRO HA . . 3.480 2.526 2.001 3.065 . 0 0 "[ . 1 . 2]" 1
871 1 64 ALA MB 1 83 THR H . . 3.800 3.581 3.100 3.785 . 0 0 "[ . 1 . 2]" 1
872 1 64 ALA MB 1 88 TYR QE . . 3.970 3.133 2.959 3.611 . 0 0 "[ . 1 . 2]" 1
873 1 65 GLU H 1 65 GLU HB2 . . 3.690 2.860 2.224 3.645 . 0 0 "[ . 1 . 2]" 1
874 1 65 GLU H 1 65 GLU QB . . 3.050 2.413 2.201 2.648 . 0 0 "[ . 1 . 2]" 1
875 1 65 GLU H 1 65 GLU HB3 . . 3.690 3.180 2.434 3.620 . 0 0 "[ . 1 . 2]" 1
876 1 65 GLU H 1 65 GLU HG2 . . 4.150 3.153 1.902 4.116 . 0 0 "[ . 1 . 2]" 1
877 1 65 GLU H 1 65 GLU QG . . 3.630 2.576 1.891 3.322 . 0 0 "[ . 1 . 2]" 1
878 1 65 GLU H 1 65 GLU HG3 . . 4.150 3.236 2.262 3.934 . 0 0 "[ . 1 . 2]" 1
879 1 65 GLU H 1 66 ILE H . . 4.730 4.613 4.523 4.649 . 0 0 "[ . 1 . 2]" 1
880 1 65 GLU H 1 81 LEU H . . 4.310 4.036 3.661 4.311 0.001 14 0 "[ . 1 . 2]" 1
881 1 65 GLU H 1 81 LEU QB . . 4.880 4.731 4.096 4.884 0.004 14 0 "[ . 1 . 2]" 1
882 1 65 GLU HA 1 66 ILE H . . 2.710 2.393 2.312 2.558 . 0 0 "[ . 1 . 2]" 1
883 1 65 GLU HA 1 66 ILE HB . . 4.710 4.505 4.399 4.592 . 0 0 "[ . 1 . 2]" 1
884 1 65 GLU HA 1 66 ILE MD . . 4.650 4.353 4.168 4.611 . 0 0 "[ . 1 . 2]" 1
885 1 65 GLU HA 1 66 ILE HG13 . . 4.820 3.478 3.322 3.726 . 0 0 "[ . 1 . 2]" 1
886 1 65 GLU QB 1 66 ILE H . . 3.360 2.443 2.137 2.608 . 0 0 "[ . 1 . 2]" 1
887 1 65 GLU HB2 1 66 ILE H . . 3.880 3.239 2.152 3.879 . 0 0 "[ . 1 . 2]" 1
888 1 65 GLU HB3 1 66 ILE H . . 3.880 3.007 2.314 3.876 . 0 0 "[ . 1 . 2]" 1
889 1 65 GLU QG 1 66 ILE H . . 4.100 3.643 3.158 4.084 . 0 0 "[ . 1 . 2]" 1
890 1 65 GLU HG2 1 66 ILE H . . 4.760 4.165 3.325 4.712 . 0 0 "[ . 1 . 2]" 1
891 1 65 GLU HG3 1 66 ILE H . . 4.760 4.236 3.385 4.720 . 0 0 "[ . 1 . 2]" 1
892 1 66 ILE H 1 66 ILE HB . . 3.280 2.785 2.676 2.853 . 0 0 "[ . 1 . 2]" 1
893 1 66 ILE H 1 66 ILE MD . . 4.580 3.944 3.804 4.126 . 0 0 "[ . 1 . 2]" 1
894 1 66 ILE H 1 66 ILE HG12 . . 4.700 4.345 4.267 4.438 . 0 0 "[ . 1 . 2]" 1
895 1 66 ILE H 1 66 ILE HG13 . . 3.770 3.083 2.964 3.222 . 0 0 "[ . 1 . 2]" 1
896 1 66 ILE H 1 66 ILE MG . . 4.140 3.889 3.825 3.929 . 0 0 "[ . 1 . 2]" 1
897 1 66 ILE H 1 67 SER H . . 4.760 4.216 3.937 4.361 . 0 0 "[ . 1 . 2]" 1
898 1 66 ILE HA 1 66 ILE MD . . 4.410 3.876 3.831 3.911 . 0 0 "[ . 1 . 2]" 1
899 1 66 ILE HA 1 66 ILE MG . . 3.590 2.396 2.288 2.464 . 0 0 "[ . 1 . 2]" 1
900 1 66 ILE HA 1 67 SER H . . 3.200 2.162 2.139 2.223 . 0 0 "[ . 1 . 2]" 1
901 1 66 ILE HA 1 80 TYR HA . . 3.840 3.319 2.876 3.722 . 0 0 "[ . 1 . 2]" 1
902 1 66 ILE HB 1 66 ILE MD . . 3.190 2.240 2.143 2.372 . 0 0 "[ . 1 . 2]" 1
903 1 66 ILE HB 1 67 SER H . . 4.650 4.193 3.931 4.402 . 0 0 "[ . 1 . 2]" 1
904 1 66 ILE HG12 1 78 VAL MG1 . . 4.590 3.606 3.427 3.807 . 0 0 "[ . 1 . 2]" 1
905 1 66 ILE HG12 1 80 TYR HA . . 5.500 4.928 4.256 5.432 . 0 0 "[ . 1 . 2]" 1
906 1 66 ILE HG12 1 80 TYR HB2 . . 4.630 3.522 2.957 3.985 . 0 0 "[ . 1 . 2]" 1
907 1 66 ILE HG12 1 80 TYR HB3 . . 4.600 3.208 2.654 3.709 . 0 0 "[ . 1 . 2]" 1
908 1 66 ILE HG13 1 66 ILE MG . . 3.450 3.157 3.136 3.175 . 0 0 "[ . 1 . 2]" 1
909 1 66 ILE HG13 1 67 SER H . . 4.850 4.823 4.760 4.850 . 0 0 "[ . 1 . 2]" 1
910 1 66 ILE HG13 1 78 VAL MG1 . . 5.170 4.874 4.702 5.118 . 0 0 "[ . 1 . 2]" 1
911 1 66 ILE HG13 1 80 TYR HB2 . . 4.800 3.773 3.329 4.367 . 0 0 "[ . 1 . 2]" 1
912 1 66 ILE HG13 1 80 TYR HB3 . . 4.740 4.163 3.802 4.634 . 0 0 "[ . 1 . 2]" 1
913 1 66 ILE MG 1 67 SER H . . 3.540 2.442 1.933 3.086 . 0 0 "[ . 1 . 2]" 1
914 1 66 ILE MG 1 68 CYS H . . 4.310 3.058 1.884 3.828 . 0 0 "[ . 1 . 2]" 1
915 1 66 ILE MG 1 78 VAL HA . . 4.490 4.000 3.562 4.395 . 0 0 "[ . 1 . 2]" 1
916 1 66 ILE MG 1 78 VAL MG1 . . 3.310 2.024 1.794 2.281 . 0 0 "[ . 1 . 2]" 1
917 1 66 ILE MG 1 79 THR H . . 4.560 4.102 3.532 4.552 . 0 0 "[ . 1 . 2]" 1
918 1 66 ILE MG 1 80 TYR HA . . 5.500 4.763 4.173 5.205 . 0 0 "[ . 1 . 2]" 1
919 1 66 ILE MG 1 80 TYR HB3 . . 4.950 3.578 2.969 4.018 . 0 0 "[ . 1 . 2]" 1
920 1 67 SER H 1 67 SER QB . . 3.580 2.548 2.285 3.028 . 0 0 "[ . 1 . 2]" 1
921 1 67 SER H 1 68 CYS H . . 4.160 3.784 2.779 4.156 . 0 0 "[ . 1 . 2]" 1
922 1 67 SER H 1 78 VAL MG1 . . 4.370 3.383 2.616 4.358 . 0 0 "[ . 1 . 2]" 1
923 1 67 SER H 1 79 THR H . . 3.780 3.453 2.612 3.751 . 0 0 "[ . 1 . 2]" 1
924 1 67 SER H 1 79 THR HB . . 4.990 4.074 3.226 4.523 . 0 0 "[ . 1 . 2]" 1
925 1 67 SER H 1 80 TYR HA . . 4.170 3.820 3.194 4.166 . 0 0 "[ . 1 . 2]" 1
926 1 67 SER HA 1 68 CYS H . . 3.250 2.298 2.139 2.768 . 0 0 "[ . 1 . 2]" 1
927 1 67 SER QB 1 68 CYS H . . 4.090 3.821 3.463 4.034 . 0 0 "[ . 1 . 2]" 1
928 1 67 SER QB 1 79 THR H . . 4.550 3.521 2.887 4.227 . 0 0 "[ . 1 . 2]" 1
929 1 68 CYS H 1 68 CYS HB2 . . 4.090 3.369 2.395 3.700 . 0 0 "[ . 1 . 2]" 1
930 1 68 CYS H 1 68 CYS QB . . 3.490 2.517 2.248 2.782 . 0 0 "[ . 1 . 2]" 1
931 1 68 CYS H 1 68 CYS HB3 . . 4.090 2.677 2.409 3.582 . 0 0 "[ . 1 . 2]" 1
932 1 68 CYS HA 1 69 ILE H . . 3.030 2.216 2.139 2.360 . 0 0 "[ . 1 . 2]" 1
933 1 68 CYS HA 1 78 VAL HA . . 4.380 2.332 2.003 2.817 . 0 0 "[ . 1 . 2]" 1
934 1 68 CYS HA 1 78 VAL MG1 . . 4.630 3.278 2.277 3.728 . 0 0 "[ . 1 . 2]" 1
935 1 68 CYS HA 1 78 VAL MG2 . . 4.300 2.571 1.993 3.464 . 0 0 "[ . 1 . 2]" 1
936 1 68 CYS QB 1 69 ILE H . . 3.990 3.062 2.498 3.755 . 0 0 "[ . 1 . 2]" 1
937 1 68 CYS QB 1 78 VAL MG2 . . 4.130 2.545 1.971 3.358 . 0 0 "[ . 1 . 2]" 1
938 1 68 CYS HB2 1 69 ILE H . . 4.550 3.276 2.535 4.323 . 0 0 "[ . 1 . 2]" 1
939 1 68 CYS HB2 1 78 VAL MG2 . . 4.730 2.903 1.983 3.850 . 0 0 "[ . 1 . 2]" 1
940 1 68 CYS HB3 1 69 ILE H . . 4.550 4.021 3.257 4.352 . 0 0 "[ . 1 . 2]" 1
941 1 68 CYS HB3 1 78 VAL MG2 . . 4.730 2.993 2.170 4.514 . 0 0 "[ . 1 . 2]" 1
942 1 69 ILE H 1 69 ILE HB . . 3.500 2.764 2.523 2.937 . 0 0 "[ . 1 . 2]" 1
943 1 69 ILE H 1 69 ILE MD . . 4.550 4.046 3.761 4.320 . 0 0 "[ . 1 . 2]" 1
944 1 69 ILE H 1 69 ILE HG12 . . 4.370 4.215 3.922 4.368 . 0 0 "[ . 1 . 2]" 1
945 1 69 ILE H 1 69 ILE QG . . 3.830 2.957 2.692 3.158 . 0 0 "[ . 1 . 2]" 1
946 1 69 ILE H 1 69 ILE HG13 . . 4.370 3.022 2.737 3.250 . 0 0 "[ . 1 . 2]" 1
947 1 69 ILE H 1 69 ILE MG . . 4.020 3.884 3.756 3.961 . 0 0 "[ . 1 . 2]" 1
948 1 69 ILE H 1 70 ASP H . . 4.730 4.276 4.050 4.423 . 0 0 "[ . 1 . 2]" 1
949 1 69 ILE H 1 77 THR H . . 3.710 3.315 2.880 3.685 . 0 0 "[ . 1 . 2]" 1
950 1 69 ILE H 1 77 THR HB . . 4.360 3.879 2.643 4.333 . 0 0 "[ . 1 . 2]" 1
951 1 69 ILE H 1 78 VAL HA . . 4.200 3.386 2.699 3.825 . 0 0 "[ . 1 . 2]" 1
952 1 69 ILE HA 1 69 ILE MD . . 4.090 3.864 3.818 3.899 . 0 0 "[ . 1 . 2]" 1
953 1 69 ILE HA 1 69 ILE QG . . 3.720 2.434 2.349 2.507 . 0 0 "[ . 1 . 2]" 1
954 1 69 ILE HA 1 69 ILE MG . . 3.420 2.360 2.264 2.460 . 0 0 "[ . 1 . 2]" 1
955 1 69 ILE HA 1 70 ASP H . . 2.970 2.174 2.138 2.294 . 0 0 "[ . 1 . 2]" 1
956 1 69 ILE HA 1 70 ASP HB2 . . 4.730 4.636 4.474 4.718 . 0 0 "[ . 1 . 2]" 1
957 1 69 ILE HA 1 70 ASP QB . . 4.140 4.070 4.031 4.104 . 0 0 "[ . 1 . 2]" 1
958 1 69 ILE HA 1 70 ASP HB3 . . 4.730 4.513 4.390 4.633 . 0 0 "[ . 1 . 2]" 1
959 1 69 ILE HB 1 70 ASP H . . 4.640 4.132 3.787 4.411 . 0 0 "[ . 1 . 2]" 1
960 1 69 ILE HB 1 77 THR H . . 4.110 3.621 2.973 4.035 . 0 0 "[ . 1 . 2]" 1
961 1 69 ILE HB 1 77 THR HB . . 3.830 2.605 1.997 3.232 . 0 0 "[ . 1 . 2]" 1
962 1 69 ILE HB 1 77 THR MG . . 4.390 3.598 2.986 4.279 . 0 0 "[ . 1 . 2]" 1
963 1 69 ILE MD 1 70 ASP H . . 5.290 5.110 4.767 5.291 0.001 6 0 "[ . 1 . 2]" 1
964 1 69 ILE MD 1 77 THR H . . 5.500 5.194 4.651 5.455 . 0 0 "[ . 1 . 2]" 1
965 1 69 ILE MD 1 77 THR HB . . 4.730 3.581 2.937 4.293 . 0 0 "[ . 1 . 2]" 1
966 1 69 ILE QG 1 70 ASP H . . 4.360 4.085 3.870 4.233 . 0 0 "[ . 1 . 2]" 1
967 1 69 ILE HG12 1 69 ILE MG . . 3.480 2.263 2.102 2.365 . 0 0 "[ . 1 . 2]" 1
968 1 69 ILE HG12 1 70 ASP H . . 5.050 4.377 4.118 4.545 . 0 0 "[ . 1 . 2]" 1
969 1 69 ILE HG13 1 69 ILE MG . . 3.480 3.179 3.154 3.199 . 0 0 "[ . 1 . 2]" 1
970 1 69 ILE HG13 1 70 ASP H . . 5.050 4.901 4.675 5.048 . 0 0 "[ . 1 . 2]" 1
971 1 69 ILE MG 1 70 ASP H . . 3.700 2.352 1.916 2.906 . 0 0 "[ . 1 . 2]" 1
972 1 69 ILE MG 1 77 THR H . . 5.060 4.224 3.674 4.701 . 0 0 "[ . 1 . 2]" 1
973 1 69 ILE MG 1 77 THR HB . . 4.180 3.572 2.863 4.136 . 0 0 "[ . 1 . 2]" 1
974 1 70 ASP H 1 70 ASP HB2 . . 3.430 2.850 2.560 3.080 . 0 0 "[ . 1 . 2]" 1
975 1 70 ASP H 1 70 ASP HB3 . . 3.430 2.407 2.290 2.559 . 0 0 "[ . 1 . 2]" 1
976 1 70 ASP H 1 71 ASN H . . 4.630 4.528 4.365 4.634 0.004 4 0 "[ . 1 . 2]" 1
977 1 70 ASP HA 1 71 ASN H . . 3.170 2.217 2.139 2.339 . 0 0 "[ . 1 . 2]" 1
978 1 70 ASP HA 1 76 CYS HA . . 3.880 3.233 2.457 3.879 . 0 0 "[ . 1 . 2]" 1
979 1 70 ASP HA 1 77 THR H . . 4.550 3.909 3.319 4.242 . 0 0 "[ . 1 . 2]" 1
980 1 70 ASP QB 1 71 ASN H . . 3.830 3.619 3.381 3.837 0.007 6 0 "[ . 1 . 2]" 1
981 1 70 ASP HB2 1 71 ASN H . . 4.500 4.026 3.771 4.335 . 0 0 "[ . 1 . 2]" 1
982 1 70 ASP HB3 1 71 ASN H . . 4.500 4.108 3.721 4.418 . 0 0 "[ . 1 . 2]" 1
983 1 71 ASN H 1 71 ASN HB2 . . 3.780 2.504 2.203 3.588 . 0 0 "[ . 1 . 2]" 1
984 1 71 ASN H 1 71 ASN QB . . 3.310 2.438 2.181 2.966 . 0 0 "[ . 1 . 2]" 1
985 1 71 ASN H 1 71 ASN HB3 . . 3.780 3.619 3.163 3.776 . 0 0 "[ . 1 . 2]" 1
986 1 71 ASN H 1 71 ASN HD21 . . 4.690 2.766 2.170 3.804 . 0 0 "[ . 1 . 2]" 1
987 1 71 ASN H 1 71 ASN QD . . 3.970 2.710 2.159 3.572 . 0 0 "[ . 1 . 2]" 1
988 1 71 ASN H 1 71 ASN HD22 . . 4.690 4.170 2.959 4.660 . 0 0 "[ . 1 . 2]" 1
989 1 71 ASN H 1 72 LYS H . . 4.520 4.103 1.900 4.521 0.001 14 0 "[ . 1 . 2]" 1
990 1 71 ASN H 1 76 CYS HA . . 3.990 3.404 2.666 3.934 . 0 0 "[ . 1 . 2]" 1
991 1 71 ASN H 1 77 THR H . . 5.010 4.522 3.860 4.949 . 0 0 "[ . 1 . 2]" 1
992 1 71 ASN QB 1 72 LYS H . . 4.390 2.330 1.930 3.155 . 0 0 "[ . 1 . 2]" 1
993 1 71 ASN QB 1 73 ASP H . . 3.660 2.481 2.130 3.066 . 0 0 "[ . 1 . 2]" 1
994 1 71 ASN QB 1 75 THR H . . 4.360 2.822 1.896 3.931 . 0 0 "[ . 1 . 2]" 1
995 1 71 ASN HB2 1 72 LYS H . . 5.040 3.417 2.048 4.125 . 0 0 "[ . 1 . 2]" 1
996 1 71 ASN HB2 1 73 ASP H . . 4.300 3.223 2.174 3.706 . 0 0 "[ . 1 . 2]" 1
997 1 71 ASN HB2 1 75 THR H . . 4.980 2.940 1.906 4.330 . 0 0 "[ . 1 . 2]" 1
998 1 71 ASN HB3 1 72 LYS H . . 5.040 2.545 1.941 4.083 . 0 0 "[ . 1 . 2]" 1
999 1 71 ASN HB3 1 73 ASP H . . 4.300 2.705 2.156 3.928 . 0 0 "[ . 1 . 2]" 1
1000 1 71 ASN HB3 1 75 THR H . . 4.980 3.873 2.612 4.977 . 0 0 "[ . 1 . 2]" 1
1001 1 71 ASN QD 1 77 THR H . . 3.910 2.742 1.961 3.566 . 0 0 "[ . 1 . 2]" 1
1002 1 71 ASN HD21 1 76 CYS HA . . 4.880 3.140 2.034 4.831 . 0 0 "[ . 1 . 2]" 1
1003 1 71 ASN HD21 1 77 THR H . . 4.620 3.141 2.425 4.297 . 0 0 "[ . 1 . 2]" 1
1004 1 71 ASN HD22 1 76 CYS HA . . 4.880 3.972 2.506 4.857 . 0 0 "[ . 1 . 2]" 1
1005 1 71 ASN HD22 1 77 THR H . . 4.620 3.234 2.006 4.198 . 0 0 "[ . 1 . 2]" 1
1006 1 72 LYS H 1 72 LYS HG2 . . 4.710 3.862 2.749 4.710 . 0 0 "[ . 1 . 2]" 1
1007 1 72 LYS H 1 72 LYS QG . . 4.080 3.299 2.046 4.090 0.010 2 0 "[ . 1 . 2]" 1
1008 1 72 LYS H 1 72 LYS HG3 . . 4.710 3.854 2.064 4.644 . 0 0 "[ . 1 . 2]" 1
1009 1 72 LYS H 1 73 ASP H . . 3.860 2.514 2.063 3.206 . 0 0 "[ . 1 . 2]" 1
1010 1 72 LYS H 1 74 GLY H . . 4.870 4.310 3.452 4.864 . 0 0 "[ . 1 . 2]" 1
1011 1 72 LYS HA 1 72 LYS HD2 . . 4.440 3.519 2.106 4.423 . 0 0 "[ . 1 . 2]" 1
1012 1 72 LYS HA 1 72 LYS QD . . 3.830 3.004 2.081 3.907 0.077 13 0 "[ . 1 . 2]" 1
1013 1 72 LYS HA 1 72 LYS HD3 . . 4.440 3.650 2.124 4.453 0.013 13 0 "[ . 1 . 2]" 1
1014 1 72 LYS HA 1 72 LYS QG . . 3.650 2.659 2.133 3.442 . 0 0 "[ . 1 . 2]" 1
1015 1 72 LYS HA 1 73 ASP HA . . 4.720 4.594 4.396 4.733 0.013 6 0 "[ . 1 . 2]" 1
1016 1 72 LYS HA 1 74 GLY H . . 4.630 3.961 3.209 4.569 . 0 0 "[ . 1 . 2]" 1
1017 1 73 ASP H 1 73 ASP HB2 . . 4.060 2.745 2.194 3.800 . 0 0 "[ . 1 . 2]" 1
1018 1 73 ASP H 1 73 ASP HB3 . . 4.060 3.237 2.375 4.023 . 0 0 "[ . 1 . 2]" 1
1019 1 73 ASP H 1 74 GLY H . . 3.240 2.395 1.855 3.215 . 0 0 "[ . 1 . 2]" 1
1020 1 73 ASP H 1 75 THR H . . 3.770 3.492 2.619 3.787 0.017 6 0 "[ . 1 . 2]" 1
1021 1 74 GLY H 1 75 THR H . . 3.340 2.193 1.799 2.939 . 0 0 "[ . 1 . 2]" 1
1022 1 75 THR H 1 75 THR MG . . 3.720 3.036 2.724 3.364 . 0 0 "[ . 1 . 2]" 1
1023 1 75 THR H 1 76 CYS H . . 5.050 4.436 4.358 4.550 . 0 0 "[ . 1 . 2]" 1
1024 1 75 THR HA 1 75 THR MG . . 3.550 2.285 2.137 2.435 . 0 0 "[ . 1 . 2]" 1
1025 1 75 THR HA 1 76 CYS H . . 3.170 2.485 2.195 2.650 . 0 0 "[ . 1 . 2]" 1
1026 1 75 THR HB 1 76 CYS H . . 3.490 2.239 1.904 3.017 . 0 0 "[ . 1 . 2]" 1
1027 1 75 THR MG 1 76 CYS H . . 4.070 3.535 3.382 3.833 . 0 0 "[ . 1 . 2]" 1
1028 1 76 CYS H 1 76 CYS QB . . 3.680 2.522 2.337 2.788 . 0 0 "[ . 1 . 2]" 1
1029 1 76 CYS H 1 77 THR H . . 4.860 4.345 4.040 4.562 . 0 0 "[ . 1 . 2]" 1
1030 1 76 CYS HA 1 77 THR H . . 3.030 2.211 2.138 2.383 . 0 0 "[ . 1 . 2]" 1
1031 1 76 CYS HA 1 77 THR HB . . 4.710 4.600 4.397 4.694 . 0 0 "[ . 1 . 2]" 1
1032 1 76 CYS QB 1 77 THR H . . 3.720 3.262 2.464 3.725 0.005 6 0 "[ . 1 . 2]" 1
1033 1 76 CYS HB2 1 77 THR H . . 4.560 4.231 3.698 4.510 . 0 0 "[ . 1 . 2]" 1
1034 1 76 CYS HB3 1 77 THR H . . 4.560 3.423 2.502 4.043 . 0 0 "[ . 1 . 2]" 1
1035 1 77 THR H 1 77 THR HB . . 3.350 2.603 2.415 2.767 . 0 0 "[ . 1 . 2]" 1
1036 1 77 THR H 1 77 THR MG . . 4.020 3.834 3.709 3.914 . 0 0 "[ . 1 . 2]" 1
1037 1 77 THR HA 1 77 THR MG . . 3.340 2.350 2.254 2.511 . 0 0 "[ . 1 . 2]" 1
1038 1 77 THR HA 1 78 VAL H . . 3.070 2.177 2.142 2.224 . 0 0 "[ . 1 . 2]" 1
1039 1 77 THR MG 1 78 VAL H . . 3.490 2.918 1.940 3.372 . 0 0 "[ . 1 . 2]" 1
1040 1 78 VAL H 1 78 VAL HB . . 3.590 2.574 2.400 2.750 . 0 0 "[ . 1 . 2]" 1
1041 1 78 VAL H 1 78 VAL MG1 . . 4.340 3.813 3.724 3.894 . 0 0 "[ . 1 . 2]" 1
1042 1 78 VAL H 1 78 VAL MG2 . . 3.550 2.740 2.407 3.021 . 0 0 "[ . 1 . 2]" 1
1043 1 78 VAL HA 1 78 VAL MG1 . . 3.710 2.417 2.344 2.502 . 0 0 "[ . 1 . 2]" 1
1044 1 78 VAL HA 1 79 THR H . . 3.080 2.159 2.140 2.276 . 0 0 "[ . 1 . 2]" 1
1045 1 78 VAL HB 1 79 THR H . . 4.750 4.355 3.951 4.456 . 0 0 "[ . 1 . 2]" 1
1046 1 78 VAL MG1 1 79 THR H . . 3.410 2.885 2.063 3.247 . 0 0 "[ . 1 . 2]" 1
1047 1 78 VAL MG1 1 80 TYR H . . 4.800 4.526 4.127 4.784 . 0 0 "[ . 1 . 2]" 1
1048 1 79 THR H 1 79 THR HB . . 3.860 2.663 2.585 2.859 . 0 0 "[ . 1 . 2]" 1
1049 1 79 THR H 1 79 THR MG . . 3.910 3.847 3.822 3.918 0.008 19 0 "[ . 1 . 2]" 1
1050 1 79 THR H 1 80 TYR H . . 4.530 4.512 4.390 4.542 0.012 10 0 "[ . 1 . 2]" 1
1051 1 79 THR HA 1 79 THR MG . . 3.440 2.278 2.089 2.411 . 0 0 "[ . 1 . 2]" 1
1052 1 79 THR HA 1 80 TYR H . . 3.020 2.218 2.173 2.265 . 0 0 "[ . 1 . 2]" 1
1053 1 79 THR HB 1 80 TYR H . . 3.950 3.883 3.711 3.949 . 0 0 "[ . 1 . 2]" 1
1054 1 79 THR MG 1 80 TYR H . . 3.470 2.183 1.897 2.438 . 0 0 "[ . 1 . 2]" 1
1055 1 79 THR MG 1 80 TYR HA . . 4.570 3.519 3.291 3.978 . 0 0 "[ . 1 . 2]" 1
1056 1 80 TYR H 1 80 TYR QD . . 4.210 2.855 2.281 3.353 . 0 0 "[ . 1 . 2]" 1
1057 1 80 TYR H 1 81 LEU H . . 4.890 4.363 4.302 4.394 . 0 0 "[ . 1 . 2]" 1
1058 1 80 TYR HA 1 81 LEU H . . 3.080 2.340 2.240 2.497 . 0 0 "[ . 1 . 2]" 1
1059 1 80 TYR HA 1 81 LEU QB . . 4.490 3.935 3.890 3.973 . 0 0 "[ . 1 . 2]" 1
1060 1 80 TYR HB2 1 81 LEU H . . 3.530 2.705 2.435 2.939 . 0 0 "[ . 1 . 2]" 1
1061 1 80 TYR HB3 1 81 LEU H . . 4.150 4.016 3.841 4.149 . 0 0 "[ . 1 . 2]" 1
1062 1 81 LEU H 1 81 LEU HB2 . . 3.370 3.211 3.012 3.363 . 0 0 "[ . 1 . 2]" 1
1063 1 81 LEU H 1 81 LEU HB3 . . 3.370 2.624 2.514 2.797 . 0 0 "[ . 1 . 2]" 1
1064 1 81 LEU H 1 81 LEU MD1 . . 4.590 4.493 4.363 4.587 . 0 0 "[ . 1 . 2]" 1
1065 1 81 LEU H 1 81 LEU MD2 . . 4.590 4.341 4.203 4.553 . 0 0 "[ . 1 . 2]" 1
1066 1 81 LEU H 1 81 LEU HG . . 4.840 4.399 4.279 4.562 . 0 0 "[ . 1 . 2]" 1
1067 1 81 LEU H 1 82 PRO HA . . 5.500 4.870 4.714 5.021 . 0 0 "[ . 1 . 2]" 1
1068 1 81 LEU H 1 82 PRO QD . . 4.800 4.022 3.931 4.125 . 0 0 "[ . 1 . 2]" 1
1069 1 81 LEU HA 1 81 LEU MD1 . . 3.380 2.483 2.170 2.699 . 0 0 "[ . 1 . 2]" 1
1070 1 81 LEU HA 1 81 LEU MD2 . . 4.240 3.964 3.908 3.997 . 0 0 "[ . 1 . 2]" 1
1071 1 81 LEU HA 1 82 PRO HD2 . . 3.830 1.967 1.935 2.008 . 0 0 "[ . 1 . 2]" 1
1072 1 81 LEU HA 1 82 PRO QD . . 3.350 1.869 1.856 1.889 . 0 0 "[ . 1 . 2]" 1
1073 1 81 LEU HA 1 82 PRO HD3 . . 3.830 2.338 2.298 2.383 . 0 0 "[ . 1 . 2]" 1
1074 1 81 LEU QB 1 81 LEU MD2 . . 2.860 2.020 1.930 2.094 . 0 0 "[ . 1 . 2]" 1
1075 1 81 LEU QB 1 82 PRO QD . . 4.340 3.471 3.368 3.561 . 0 0 "[ . 1 . 2]" 1
1076 1 81 LEU HB2 1 81 LEU MD2 . . 3.290 2.613 2.473 2.709 . 0 0 "[ . 1 . 2]" 1
1077 1 81 LEU HB3 1 81 LEU MD2 . . 3.290 2.107 1.981 2.233 . 0 0 "[ . 1 . 2]" 1
1078 1 81 LEU MD1 1 82 PRO HD2 . . 4.280 2.430 2.084 2.785 . 0 0 "[ . 1 . 2]" 1
1079 1 81 LEU MD1 1 82 PRO QD . . 3.580 2.403 2.073 2.743 . 0 0 "[ . 1 . 2]" 1
1080 1 81 LEU MD1 1 82 PRO HD3 . . 4.280 3.832 3.592 4.123 . 0 0 "[ . 1 . 2]" 1
1081 1 82 PRO HA 1 83 THR H . . 3.010 2.289 2.211 2.391 . 0 0 "[ . 1 . 2]" 1
1082 1 82 PRO HA 1 84 LEU H . . 4.120 3.969 3.749 4.121 0.001 9 0 "[ . 1 . 2]" 1
1083 1 82 PRO HA 1 88 TYR QE . . 4.870 4.001 3.677 4.344 . 0 0 "[ . 1 . 2]" 1
1084 1 82 PRO QB 1 84 LEU H . . 4.050 3.138 2.835 3.568 . 0 0 "[ . 1 . 2]" 1
1085 1 82 PRO QB 1 88 TYR QD . . 4.790 4.046 3.764 4.340 . 0 0 "[ . 1 . 2]" 1
1086 1 82 PRO QB 1 88 TYR QE . . 3.750 2.827 2.525 3.252 . 0 0 "[ . 1 . 2]" 1
1087 1 82 PRO QB 1 88 TYR HH . . 4.900 3.562 2.780 4.116 . 0 0 "[ . 1 . 2]" 1
1088 1 82 PRO QB 1 108 ILE MD . . 4.190 2.294 2.061 2.570 . 0 0 "[ . 1 . 2]" 1
1089 1 82 PRO QB 1 108 ILE MG . . 3.750 2.995 2.699 3.227 . 0 0 "[ . 1 . 2]" 1
1090 1 82 PRO HB2 1 83 THR H . . 4.130 2.927 2.636 3.184 . 0 0 "[ . 1 . 2]" 1
1091 1 82 PRO HB2 1 88 TYR QE . . 4.620 3.241 2.903 3.697 . 0 0 "[ . 1 . 2]" 1
1092 1 82 PRO HB2 1 108 ILE MD . . 5.040 3.010 2.730 3.365 . 0 0 "[ . 1 . 2]" 1
1093 1 82 PRO HB2 1 108 ILE MG . . 4.360 3.220 2.914 3.468 . 0 0 "[ . 1 . 2]" 1
1094 1 82 PRO HB3 1 83 THR H . . 4.130 3.625 3.465 3.774 . 0 0 "[ . 1 . 2]" 1
1095 1 82 PRO HB3 1 88 TYR QE . . 4.620 3.118 2.703 3.606 . 0 0 "[ . 1 . 2]" 1
1096 1 82 PRO HB3 1 108 ILE MD . . 5.040 2.381 2.108 2.667 . 0 0 "[ . 1 . 2]" 1
1097 1 82 PRO HB3 1 108 ILE MG . . 4.360 3.569 3.186 3.952 . 0 0 "[ . 1 . 2]" 1
1098 1 82 PRO QG 1 108 ILE MD . . 3.790 2.231 1.864 2.588 . 0 0 "[ . 1 . 2]" 1
1099 1 82 PRO QG 1 108 ILE MG . . 3.540 3.004 2.610 3.189 . 0 0 "[ . 1 . 2]" 1
1100 1 82 PRO HG2 1 108 ILE MD . . 4.350 3.538 3.042 3.969 . 0 0 "[ . 1 . 2]" 1
1101 1 82 PRO HG2 1 108 ILE MG . . 4.130 3.757 3.351 4.013 . 0 0 "[ . 1 . 2]" 1
1102 1 82 PRO HG3 1 108 ILE MD . . 4.350 2.256 1.881 2.622 . 0 0 "[ . 1 . 2]" 1
1103 1 82 PRO HG3 1 108 ILE MG . . 4.130 3.162 2.723 3.360 . 0 0 "[ . 1 . 2]" 1
1104 1 83 THR H 1 83 THR HB . . 4.050 2.884 2.567 3.753 . 0 0 "[ . 1 . 2]" 1
1105 1 83 THR H 1 83 THR MG . . 3.920 3.700 2.918 3.909 . 0 0 "[ . 1 . 2]" 1
1106 1 83 THR H 1 84 LEU H . . 3.140 1.995 1.817 2.143 . 0 0 "[ . 1 . 2]" 1
1107 1 83 THR H 1 88 TYR HH . . 4.430 2.649 1.908 3.385 . 0 0 "[ . 1 . 2]" 1
1108 1 83 THR HA 1 83 THR MG . . 3.220 2.289 2.096 2.416 . 0 0 "[ . 1 . 2]" 1
1109 1 83 THR HB 1 84 LEU H . . 4.390 3.104 2.609 3.979 . 0 0 "[ . 1 . 2]" 1
1110 1 83 THR MG 1 84 LEU H . . 4.470 3.903 3.630 4.198 . 0 0 "[ . 1 . 2]" 1
1111 1 84 LEU H 1 84 LEU HB2 . . 3.580 2.829 2.681 2.939 . 0 0 "[ . 1 . 2]" 1
1112 1 84 LEU H 1 84 LEU MD1 . . 4.400 4.174 4.038 4.284 . 0 0 "[ . 1 . 2]" 1
1113 1 84 LEU H 1 84 LEU MD2 . . 4.380 4.084 3.886 4.190 . 0 0 "[ . 1 . 2]" 1
1114 1 84 LEU H 1 84 LEU HG . . 3.400 3.260 3.062 3.400 0.000 11 0 "[ . 1 . 2]" 1
1115 1 84 LEU H 1 85 PRO HA . . 5.210 4.923 4.830 5.049 . 0 0 "[ . 1 . 2]" 1
1116 1 84 LEU H 1 85 PRO HD3 . . 5.000 4.743 4.657 4.806 . 0 0 "[ . 1 . 2]" 1
1117 1 84 LEU H 1 88 TYR HH . . 3.120 2.388 1.895 2.869 . 0 0 "[ . 1 . 2]" 1
1118 1 84 LEU H 1 108 ILE MG . . 5.160 4.984 4.657 5.153 . 0 0 "[ . 1 . 2]" 1
1119 1 84 LEU HA 1 84 LEU MD1 . . 4.060 3.912 3.867 3.945 . 0 0 "[ . 1 . 2]" 1
1120 1 84 LEU HA 1 84 LEU MD2 . . 3.120 2.158 1.992 2.358 . 0 0 "[ . 1 . 2]" 1
1121 1 84 LEU HA 1 84 LEU HG . . 4.260 3.012 2.936 3.180 . 0 0 "[ . 1 . 2]" 1
1122 1 84 LEU HA 1 85 PRO HD2 . . 3.420 2.255 2.213 2.306 . 0 0 "[ . 1 . 2]" 1
1123 1 84 LEU HA 1 85 PRO HD3 . . 3.390 2.260 2.254 2.270 . 0 0 "[ . 1 . 2]" 1
1124 1 84 LEU HA 1 85 PRO HG2 . . 4.750 4.395 4.362 4.437 . 0 0 "[ . 1 . 2]" 1
1125 1 84 LEU HA 1 85 PRO HG3 . . 4.750 4.394 4.374 4.419 . 0 0 "[ . 1 . 2]" 1
1126 1 84 LEU HB2 1 84 LEU MD1 . . 3.380 2.171 2.065 2.296 . 0 0 "[ . 1 . 2]" 1
1127 1 84 LEU HB2 1 84 LEU MD2 . . 3.630 3.177 3.166 3.190 . 0 0 "[ . 1 . 2]" 1
1128 1 84 LEU HB2 1 85 PRO HD2 . . 4.450 3.810 3.667 3.935 . 0 0 "[ . 1 . 2]" 1
1129 1 84 LEU HB2 1 85 PRO HD3 . . 4.920 4.801 4.710 4.876 . 0 0 "[ . 1 . 2]" 1
1130 1 84 LEU HB2 1 88 TYR HH . . 4.760 3.479 2.834 4.429 . 0 0 "[ . 1 . 2]" 1
1131 1 84 LEU HB3 1 84 LEU MD2 . . 3.100 2.274 2.170 2.351 . 0 0 "[ . 1 . 2]" 1
1132 1 84 LEU HB3 1 85 PRO HD2 . . 3.810 2.308 2.158 2.448 . 0 0 "[ . 1 . 2]" 1
1133 1 84 LEU HB3 1 85 PRO HD3 . . 3.960 3.709 3.579 3.824 . 0 0 "[ . 1 . 2]" 1
1134 1 84 LEU MD1 1 85 PRO HD2 . . 4.760 4.246 4.073 4.345 . 0 0 "[ . 1 . 2]" 1
1135 1 84 LEU MD1 1 85 PRO HD3 . . 5.500 5.372 5.248 5.441 . 0 0 "[ . 1 . 2]" 1
1136 1 84 LEU MD2 1 85 PRO HD2 . . 3.280 2.583 2.261 2.817 . 0 0 "[ . 1 . 2]" 1
1137 1 84 LEU MD2 1 85 PRO HD3 . . 3.700 3.341 3.075 3.484 . 0 0 "[ . 1 . 2]" 1
1138 1 85 PRO HA 1 86 GLY H . . 3.080 2.162 2.155 2.186 . 0 0 "[ . 1 . 2]" 1
1139 1 85 PRO HA 1 88 TYR QE . . 4.510 3.550 3.256 3.937 . 0 0 "[ . 1 . 2]" 1
1140 1 85 PRO HA 1 108 ILE H . . 5.210 5.151 5.012 5.213 0.003 15 0 "[ . 1 . 2]" 1
1141 1 85 PRO HA 1 108 ILE HB . . 3.900 3.032 2.839 3.240 . 0 0 "[ . 1 . 2]" 1
1142 1 85 PRO HA 1 108 ILE MG . . 3.470 2.264 2.075 2.634 . 0 0 "[ . 1 . 2]" 1
1143 1 85 PRO QB 1 86 GLY H . . 3.610 3.403 3.144 3.547 . 0 0 "[ . 1 . 2]" 1
1144 1 85 PRO QB 1 108 ILE HB . . 4.570 4.268 4.004 4.568 . 0 0 "[ . 1 . 2]" 1
1145 1 85 PRO QB 1 108 ILE MG . . 3.780 2.890 2.633 3.255 . 0 0 "[ . 1 . 2]" 1
1146 1 85 PRO QB 1 109 THR HA . . 3.660 2.771 2.141 3.262 . 0 0 "[ . 1 . 2]" 1
1147 1 85 PRO QB 1 110 ASP HA . . 4.010 2.980 2.239 3.562 . 0 0 "[ . 1 . 2]" 1
1148 1 85 PRO QB 1 110 ASP QB . . 3.820 2.644 1.935 2.895 . 0 0 "[ . 1 . 2]" 1
1149 1 85 PRO HB2 1 86 GLY H . . 4.200 3.644 3.328 3.821 . 0 0 "[ . 1 . 2]" 1
1150 1 85 PRO HB2 1 108 ILE HB . . 5.430 4.857 4.543 5.176 . 0 0 "[ . 1 . 2]" 1
1151 1 85 PRO HB2 1 108 ILE MG . . 4.300 3.821 3.496 4.253 . 0 0 "[ . 1 . 2]" 1
1152 1 85 PRO HB2 1 109 THR HA . . 4.270 3.060 2.365 3.596 . 0 0 "[ . 1 . 2]" 1
1153 1 85 PRO HB2 1 110 ASP H . . 4.230 3.810 3.171 4.215 . 0 0 "[ . 1 . 2]" 1
1154 1 85 PRO HB2 1 110 ASP HB2 . . 5.500 4.421 2.657 4.928 . 0 0 "[ . 1 . 2]" 1
1155 1 85 PRO HB2 1 110 ASP HB3 . . 5.500 3.540 2.779 4.288 . 0 0 "[ . 1 . 2]" 1
1156 1 85 PRO HB3 1 86 GLY H . . 4.200 4.080 3.868 4.204 0.004 11 0 "[ . 1 . 2]" 1
1157 1 85 PRO HB3 1 108 ILE HB . . 5.430 4.731 4.448 5.081 . 0 0 "[ . 1 . 2]" 1
1158 1 85 PRO HB3 1 108 ILE MG . . 4.300 2.992 2.711 3.379 . 0 0 "[ . 1 . 2]" 1
1159 1 85 PRO HB3 1 109 THR HA . . 4.270 3.176 2.447 3.736 . 0 0 "[ . 1 . 2]" 1
1160 1 85 PRO HB3 1 110 ASP H . . 4.230 3.439 2.827 3.956 . 0 0 "[ . 1 . 2]" 1
1161 1 85 PRO HB3 1 110 ASP HB2 . . 5.500 3.543 1.999 4.387 . 0 0 "[ . 1 . 2]" 1
1162 1 85 PRO HB3 1 110 ASP HB3 . . 5.500 3.163 2.669 3.736 . 0 0 "[ . 1 . 2]" 1
1163 1 85 PRO HD2 1 110 ASP QB . . 4.610 4.257 3.704 4.485 . 0 0 "[ . 1 . 2]" 1
1164 1 85 PRO HD3 1 110 ASP HB2 . . 4.940 3.784 2.503 4.849 . 0 0 "[ . 1 . 2]" 1
1165 1 85 PRO HD3 1 110 ASP HB3 . . 4.940 4.233 3.819 4.942 0.002 19 0 "[ . 1 . 2]" 1
1166 1 85 PRO QG 1 110 ASP H . . 4.570 3.990 3.448 4.570 0.000 19 0 "[ . 1 . 2]" 1
1167 1 85 PRO QG 1 110 ASP HA . . 4.050 3.424 2.438 4.038 . 0 0 "[ . 1 . 2]" 1
1168 1 85 PRO QG 1 110 ASP QB . . 3.330 1.986 1.813 2.162 . 0 0 "[ . 1 . 2]" 1
1169 1 85 PRO HG2 1 110 ASP HB2 . . 4.580 4.178 3.310 4.578 . 0 0 "[ . 1 . 2]" 1
1170 1 85 PRO HG2 1 110 ASP HB3 . . 4.580 3.622 3.062 4.585 0.005 19 0 "[ . 1 . 2]" 1
1171 1 85 PRO HG3 1 110 ASP HB2 . . 4.580 2.523 1.996 3.103 . 0 0 "[ . 1 . 2]" 1
1172 1 85 PRO HG3 1 110 ASP HB3 . . 4.580 2.266 1.998 3.145 . 0 0 "[ . 1 . 2]" 1
1173 1 86 GLY H 1 87 ASP H . . 4.500 4.322 4.257 4.378 . 0 0 "[ . 1 . 2]" 1
1174 1 86 GLY H 1 88 TYR QE . . 4.130 3.132 2.780 3.465 . 0 0 "[ . 1 . 2]" 1
1175 1 86 GLY H 1 108 ILE HB . . 3.500 2.196 1.933 2.307 . 0 0 "[ . 1 . 2]" 1
1176 1 86 GLY H 1 108 ILE HG12 . . 5.290 5.160 4.861 5.293 0.003 3 0 "[ . 1 . 2]" 1
1177 1 86 GLY H 1 108 ILE MG . . 3.840 3.049 2.802 3.353 . 0 0 "[ . 1 . 2]" 1
1178 1 86 GLY HA2 1 87 ASP H . . 3.190 2.377 2.297 2.494 . 0 0 "[ . 1 . 2]" 1
1179 1 86 GLY HA3 1 87 ASP H . . 3.130 2.769 2.632 2.872 . 0 0 "[ . 1 . 2]" 1
1180 1 87 ASP H 1 87 ASP HB2 . . 3.750 3.231 2.241 3.611 . 0 0 "[ . 1 . 2]" 1
1181 1 87 ASP H 1 87 ASP QB . . 3.080 2.519 2.130 2.824 . 0 0 "[ . 1 . 2]" 1
1182 1 87 ASP H 1 87 ASP HB3 . . 3.750 2.901 2.184 3.599 . 0 0 "[ . 1 . 2]" 1
1183 1 87 ASP H 1 88 TYR H . . 4.710 4.373 4.142 4.545 . 0 0 "[ . 1 . 2]" 1
1184 1 87 ASP HA 1 88 TYR H . . 2.920 2.164 2.138 2.249 . 0 0 "[ . 1 . 2]" 1
1185 1 87 ASP HA 1 88 TYR QD . . 4.520 4.192 3.967 4.443 . 0 0 "[ . 1 . 2]" 1
1186 1 87 ASP HA 1 105 THR MG . . 4.020 3.438 3.108 3.842 . 0 0 "[ . 1 . 2]" 1
1187 1 87 ASP HA 1 106 ALA H . . 4.850 4.246 3.625 4.835 . 0 0 "[ . 1 . 2]" 1
1188 1 87 ASP HA 1 107 LYS HA . . 3.850 3.502 3.079 3.823 . 0 0 "[ . 1 . 2]" 1
1189 1 87 ASP HA 1 108 ILE H . . 4.230 3.560 3.228 3.827 . 0 0 "[ . 1 . 2]" 1
1190 1 87 ASP QB 1 88 TYR H . . 3.900 3.516 3.180 3.823 . 0 0 "[ . 1 . 2]" 1
1191 1 87 ASP QB 1 105 THR MG . . 3.180 2.506 2.005 3.156 . 0 0 "[ . 1 . 2]" 1
1192 1 88 TYR H 1 88 TYR HB2 . . 3.570 2.304 2.234 2.411 . 0 0 "[ . 1 . 2]" 1
1193 1 88 TYR H 1 88 TYR HB3 . . 3.700 3.562 3.525 3.595 . 0 0 "[ . 1 . 2]" 1
1194 1 88 TYR H 1 88 TYR QD . . 3.650 2.892 2.520 3.466 . 0 0 "[ . 1 . 2]" 1
1195 1 88 TYR H 1 89 SER H . . 4.840 4.408 4.058 4.580 . 0 0 "[ . 1 . 2]" 1
1196 1 88 TYR H 1 105 THR HA . . 4.810 4.475 4.002 4.812 0.002 10 0 "[ . 1 . 2]" 1
1197 1 88 TYR H 1 106 ALA H . . 3.720 3.223 2.743 3.619 . 0 0 "[ . 1 . 2]" 1
1198 1 88 TYR H 1 106 ALA MB . . 3.780 3.316 2.930 3.761 . 0 0 "[ . 1 . 2]" 1
1199 1 88 TYR H 1 108 ILE H . . 4.640 4.184 3.726 4.610 . 0 0 "[ . 1 . 2]" 1
1200 1 88 TYR HA 1 89 SER H . . 2.920 2.151 2.137 2.208 . 0 0 "[ . 1 . 2]" 1
1201 1 88 TYR HB2 1 89 SER H . . 4.650 4.405 4.171 4.569 . 0 0 "[ . 1 . 2]" 1
1202 1 88 TYR HB2 1 90 ILE HG12 . . 5.280 4.975 4.712 5.259 . 0 0 "[ . 1 . 2]" 1
1203 1 88 TYR HB2 1 90 ILE HG13 . . 5.330 3.962 3.648 4.186 . 0 0 "[ . 1 . 2]" 1
1204 1 88 TYR HB2 1 106 ALA H . . 4.530 3.624 3.263 4.061 . 0 0 "[ . 1 . 2]" 1
1205 1 88 TYR HB2 1 106 ALA MB . . 3.630 2.676 2.242 3.032 . 0 0 "[ . 1 . 2]" 1
1206 1 88 TYR HB3 1 89 SER H . . 3.960 3.474 3.021 3.877 . 0 0 "[ . 1 . 2]" 1
1207 1 88 TYR HB3 1 90 ILE MD . . 4.650 4.038 3.512 4.296 . 0 0 "[ . 1 . 2]" 1
1208 1 88 TYR HB3 1 90 ILE HG12 . . 5.010 4.092 3.873 4.423 . 0 0 "[ . 1 . 2]" 1
1209 1 88 TYR HB3 1 106 ALA MB . . 4.480 3.886 3.525 4.257 . 0 0 "[ . 1 . 2]" 1
1210 1 88 TYR QD 1 108 ILE H . . 4.660 4.076 3.789 4.352 . 0 0 "[ . 1 . 2]" 1
1211 1 88 TYR QD 1 108 ILE HB . . 4.380 3.098 2.735 3.497 . 0 0 "[ . 1 . 2]" 1
1212 1 88 TYR QD 1 108 ILE MD . . 4.450 2.471 2.202 2.700 . 0 0 "[ . 1 . 2]" 1
1213 1 88 TYR QD 1 108 ILE HG12 . . 4.350 4.088 3.751 4.279 . 0 0 "[ . 1 . 2]" 1
1214 1 88 TYR QD 1 108 ILE HG13 . . 4.690 2.494 2.108 2.700 . 0 0 "[ . 1 . 2]" 1
1215 1 88 TYR QE 1 108 ILE H . . 5.440 5.273 5.043 5.444 0.004 13 0 "[ . 1 . 2]" 1
1216 1 88 TYR QE 1 108 ILE HB . . 3.800 3.211 2.902 3.513 . 0 0 "[ . 1 . 2]" 1
1217 1 88 TYR QE 1 108 ILE MD . . 4.720 2.250 1.973 2.665 . 0 0 "[ . 1 . 2]" 1
1218 1 88 TYR QE 1 108 ILE HG12 . . 5.360 4.904 4.684 5.246 . 0 0 "[ . 1 . 2]" 1
1219 1 88 TYR QE 1 108 ILE HG13 . . 4.660 3.896 3.608 4.249 . 0 0 "[ . 1 . 2]" 1
1220 1 88 TYR QE 1 108 ILE MG . . 4.060 3.002 2.690 3.312 . 0 0 "[ . 1 . 2]" 1
1221 1 89 SER H 1 89 SER QB . . 3.230 2.359 2.226 2.535 . 0 0 "[ . 1 . 2]" 1
1222 1 89 SER H 1 90 ILE H . . 4.330 4.161 4.035 4.299 . 0 0 "[ . 1 . 2]" 1
1223 1 89 SER HA 1 90 ILE H . . 2.930 2.210 2.165 2.255 . 0 0 "[ . 1 . 2]" 1
1224 1 89 SER HA 1 90 ILE HB . . 4.860 4.680 4.627 4.749 . 0 0 "[ . 1 . 2]" 1
1225 1 89 SER HA 1 90 ILE MD . . 5.040 4.868 4.653 5.033 . 0 0 "[ . 1 . 2]" 1
1226 1 89 SER HA 1 105 THR HA . . 3.890 3.569 3.082 3.883 . 0 0 "[ . 1 . 2]" 1
1227 1 89 SER HA 1 106 ALA H . . 4.930 4.579 4.046 4.891 . 0 0 "[ . 1 . 2]" 1
1228 1 89 SER QB 1 90 ILE H . . 3.930 3.740 3.623 3.934 0.004 15 0 "[ . 1 . 2]" 1
1229 1 89 SER QB 1 91 LEU MD1 . . 3.730 3.534 3.280 3.727 . 0 0 "[ . 1 . 2]" 1
1230 1 89 SER QB 1 91 LEU MD2 . . 4.330 3.751 3.376 4.292 . 0 0 "[ . 1 . 2]" 1
1231 1 90 ILE H 1 90 ILE HB . . 3.610 2.506 2.444 2.582 . 0 0 "[ . 1 . 2]" 1
1232 1 90 ILE H 1 90 ILE MD . . 3.760 3.308 3.143 3.450 . 0 0 "[ . 1 . 2]" 1
1233 1 90 ILE H 1 90 ILE HG13 . . 3.870 2.310 2.118 2.422 . 0 0 "[ . 1 . 2]" 1
1234 1 90 ILE H 1 90 ILE MG . . 4.760 3.774 3.757 3.789 . 0 0 "[ . 1 . 2]" 1
1235 1 90 ILE H 1 91 LEU MD2 . . 5.480 5.290 5.019 5.478 . 0 0 "[ . 1 . 2]" 1
1236 1 90 ILE H 1 104 PHE QB . . 4.060 3.600 3.071 3.934 . 0 0 "[ . 1 . 2]" 1
1237 1 90 ILE H 1 105 THR HA . . 4.460 3.861 3.451 4.420 . 0 0 "[ . 1 . 2]" 1
1238 1 90 ILE HA 1 90 ILE MD . . 4.010 3.886 3.859 3.920 . 0 0 "[ . 1 . 2]" 1
1239 1 90 ILE HA 1 90 ILE MG . . 3.690 2.353 2.249 2.473 . 0 0 "[ . 1 . 2]" 1
1240 1 90 ILE HA 1 91 LEU H . . 3.100 2.159 2.142 2.203 . 0 0 "[ . 1 . 2]" 1
1241 1 90 ILE HA 1 91 LEU MD1 . . 4.580 4.533 4.391 4.584 0.004 19 0 "[ . 1 . 2]" 1
1242 1 90 ILE HB 1 90 ILE MD . . 3.480 2.228 2.113 2.344 . 0 0 "[ . 1 . 2]" 1
1243 1 90 ILE HB 1 103 PRO HA . . 5.500 4.657 4.186 5.145 . 0 0 "[ . 1 . 2]" 1
1244 1 90 ILE HB 1 104 PHE H . . 4.050 2.802 2.356 3.300 . 0 0 "[ . 1 . 2]" 1
1245 1 90 ILE HB 1 104 PHE HB2 . . 4.000 2.090 1.998 2.339 . 0 0 "[ . 1 . 2]" 1
1246 1 90 ILE HB 1 104 PHE QB . . 3.430 2.077 1.989 2.321 . 0 0 "[ . 1 . 2]" 1
1247 1 90 ILE HB 1 104 PHE HB3 . . 4.000 3.637 3.381 3.889 . 0 0 "[ . 1 . 2]" 1
1248 1 90 ILE HB 1 104 PHE QD . . 3.930 3.128 2.254 3.825 . 0 0 "[ . 1 . 2]" 1
1249 1 90 ILE MD 1 104 PHE HB2 . . 4.410 2.506 1.998 2.938 . 0 0 "[ . 1 . 2]" 1
1250 1 90 ILE MD 1 104 PHE QB . . 3.690 2.383 1.960 2.790 . 0 0 "[ . 1 . 2]" 1
1251 1 90 ILE MD 1 104 PHE HB3 . . 4.410 3.019 2.479 3.476 . 0 0 "[ . 1 . 2]" 1
1252 1 90 ILE MD 1 106 ALA H . . 4.220 3.462 2.798 4.039 . 0 0 "[ . 1 . 2]" 1
1253 1 90 ILE MD 1 106 ALA MB . . 3.040 2.396 2.034 2.814 . 0 0 "[ . 1 . 2]" 1
1254 1 90 ILE HG13 1 104 PHE QB . . 5.340 3.947 3.612 4.367 . 0 0 "[ . 1 . 2]" 1
1255 1 90 ILE MG 1 91 LEU H . . 3.890 2.377 2.140 2.590 . 0 0 "[ . 1 . 2]" 1
1256 1 90 ILE MG 1 92 VAL MG2 . . 3.240 2.186 1.969 2.384 . 0 0 "[ . 1 . 2]" 1
1257 1 90 ILE MG 1 104 PHE H . . 4.560 3.748 3.163 4.250 . 0 0 "[ . 1 . 2]" 1
1258 1 90 ILE MG 1 104 PHE QD . . 4.060 2.768 2.417 3.227 . 0 0 "[ . 1 . 2]" 1
1259 1 91 LEU H 1 91 LEU QB . . 3.440 2.582 2.478 2.705 . 0 0 "[ . 1 . 2]" 1
1260 1 91 LEU H 1 91 LEU MD1 . . 3.680 3.627 3.536 3.681 0.001 4 0 "[ . 1 . 2]" 1
1261 1 91 LEU H 1 91 LEU HG . . 4.600 3.016 2.872 3.159 . 0 0 "[ . 1 . 2]" 1
1262 1 91 LEU HA 1 91 LEU MD1 . . 4.160 3.926 3.897 3.959 . 0 0 "[ . 1 . 2]" 1
1263 1 91 LEU HA 1 91 LEU MD2 . . 3.750 2.436 2.349 2.607 . 0 0 "[ . 1 . 2]" 1
1264 1 91 LEU HA 1 91 LEU HG . . 3.980 2.838 2.752 2.932 . 0 0 "[ . 1 . 2]" 1
1265 1 91 LEU HA 1 92 VAL H . . 3.370 2.151 2.139 2.181 . 0 0 "[ . 1 . 2]" 1
1266 1 91 LEU HA 1 92 VAL MG2 . . 4.740 3.786 3.335 3.975 . 0 0 "[ . 1 . 2]" 1
1267 1 91 LEU HA 1 98 HIS HE1 . . 3.870 3.522 2.931 3.867 . 0 0 "[ . 1 . 2]" 1
1268 1 91 LEU HA 1 103 PRO HA . . 4.080 3.240 2.987 3.543 . 0 0 "[ . 1 . 2]" 1
1269 1 91 LEU HA 1 103 PRO QB . . 4.230 3.237 2.636 3.780 . 0 0 "[ . 1 . 2]" 1
1270 1 91 LEU HA 1 104 PHE H . . 4.680 4.202 3.900 4.568 . 0 0 "[ . 1 . 2]" 1
1271 1 91 LEU QB 1 91 LEU MD1 . . 3.060 2.042 1.947 2.088 . 0 0 "[ . 1 . 2]" 1
1272 1 91 LEU QB 1 91 LEU MD2 . . 3.010 2.127 1.993 2.190 . 0 0 "[ . 1 . 2]" 1
1273 1 91 LEU QB 1 92 VAL H . . 3.930 3.390 3.114 3.597 . 0 0 "[ . 1 . 2]" 1
1274 1 91 LEU QB 1 98 HIS HE1 . . 3.860 2.640 2.020 2.959 . 0 0 "[ . 1 . 2]" 1
1275 1 91 LEU HB2 1 92 VAL H . . 4.600 4.312 4.156 4.444 . 0 0 "[ . 1 . 2]" 1
1276 1 91 LEU HB2 1 98 HIS HE1 . . 4.730 4.406 3.771 4.724 . 0 0 "[ . 1 . 2]" 1
1277 1 91 LEU HB3 1 92 VAL H . . 4.600 3.548 3.217 3.804 . 0 0 "[ . 1 . 2]" 1
1278 1 91 LEU HB3 1 98 HIS HE1 . . 4.730 2.662 2.029 2.990 . 0 0 "[ . 1 . 2]" 1
1279 1 91 LEU MD2 1 92 VAL H . . 4.280 3.913 3.644 4.176 . 0 0 "[ . 1 . 2]" 1
1280 1 91 LEU MD2 1 98 HIS HE1 . . 3.550 2.245 1.982 2.558 . 0 0 "[ . 1 . 2]" 1
1281 1 91 LEU MD2 1 103 PRO QB . . 3.260 1.988 1.788 2.239 . 0 0 "[ . 1 . 2]" 1
1282 1 91 LEU HG 1 92 VAL H . . 5.230 4.942 4.875 5.025 . 0 0 "[ . 1 . 2]" 1
1283 1 91 LEU HG 1 103 PRO HA . . 4.780 4.664 4.136 4.780 . 0 0 "[ . 1 . 2]" 1
1284 1 91 LEU HG 1 103 PRO QB . . 3.370 3.126 2.782 3.370 0.000 17 0 "[ . 1 . 2]" 1
1285 1 91 LEU HG 1 104 PHE H . . 5.500 5.128 4.755 5.447 . 0 0 "[ . 1 . 2]" 1
1286 1 92 VAL H 1 92 VAL HB . . 4.060 2.711 2.606 2.882 . 0 0 "[ . 1 . 2]" 1
1287 1 92 VAL H 1 92 VAL MG1 . . 4.550 3.876 3.836 3.949 . 0 0 "[ . 1 . 2]" 1
1288 1 92 VAL H 1 92 VAL MG2 . . 3.800 2.826 2.314 3.056 . 0 0 "[ . 1 . 2]" 1
1289 1 92 VAL H 1 98 HIS HD1 . . 4.020 3.616 2.611 4.027 0.007 4 0 "[ . 1 . 2]" 1
1290 1 92 VAL H 1 98 HIS HE1 . . 4.690 3.892 2.849 4.414 . 0 0 "[ . 1 . 2]" 1
1291 1 92 VAL H 1 99 ILE QG . . 4.650 3.888 3.408 4.241 . 0 0 "[ . 1 . 2]" 1
1292 1 92 VAL H 1 102 SER HB2 . . 4.270 3.780 3.177 4.265 . 0 0 "[ . 1 . 2]" 1
1293 1 92 VAL H 1 102 SER HB3 . . 4.270 3.403 2.809 4.197 . 0 0 "[ . 1 . 2]" 1
1294 1 92 VAL H 1 103 PRO HA . . 4.480 4.000 3.632 4.360 . 0 0 "[ . 1 . 2]" 1
1295 1 92 VAL HA 1 92 VAL MG1 . . 3.500 2.347 2.143 2.450 . 0 0 "[ . 1 . 2]" 1
1296 1 92 VAL HA 1 92 VAL MG2 . . 3.680 2.356 2.253 2.615 . 0 0 "[ . 1 . 2]" 1
1297 1 92 VAL HA 1 93 LYS H . . 2.980 2.159 2.139 2.198 . 0 0 "[ . 1 . 2]" 1
1298 1 92 VAL HA 1 93 LYS HB2 . . 5.500 4.262 4.191 4.332 . 0 0 "[ . 1 . 2]" 1
1299 1 92 VAL HB 1 93 LYS H . . 4.710 4.138 3.793 4.301 . 0 0 "[ . 1 . 2]" 1
1300 1 92 VAL HB 1 99 ILE H . . 4.970 4.407 3.926 4.958 . 0 0 "[ . 1 . 2]" 1
1301 1 92 VAL HB 1 99 ILE MD . . 3.460 2.333 1.971 2.729 . 0 0 "[ . 1 . 2]" 1
1302 1 92 VAL HB 1 99 ILE QG . . 3.790 2.723 2.181 3.341 . 0 0 "[ . 1 . 2]" 1
1303 1 92 VAL HB 1 102 SER QB . . 4.390 3.913 3.471 4.374 . 0 0 "[ . 1 . 2]" 1
1304 1 92 VAL HB 1 104 PHE QE . . 4.640 3.820 2.917 4.355 . 0 0 "[ . 1 . 2]" 1
1305 1 92 VAL MG1 1 93 LYS H . . 3.260 2.485 2.038 2.807 . 0 0 "[ . 1 . 2]" 1
1306 1 92 VAL MG1 1 93 LYS HA . . 5.000 3.653 3.437 3.959 . 0 0 "[ . 1 . 2]" 1
1307 1 92 VAL MG1 1 94 TYR H . . 5.480 4.656 4.408 4.965 . 0 0 "[ . 1 . 2]" 1
1308 1 92 VAL MG1 1 99 ILE QG . . 3.740 3.071 2.475 3.727 . 0 0 "[ . 1 . 2]" 1
1309 1 92 VAL MG2 1 104 PHE QD . . 3.880 3.347 3.132 3.656 . 0 0 "[ . 1 . 2]" 1
1310 1 92 VAL MG2 1 104 PHE QE . . 4.140 3.657 2.813 4.134 . 0 0 "[ . 1 . 2]" 1
1311 1 93 LYS H 1 93 LYS HB2 . . 3.640 2.511 2.390 2.708 . 0 0 "[ . 1 . 2]" 1
1312 1 93 LYS H 1 93 LYS HB3 . . 4.020 3.554 2.909 3.687 . 0 0 "[ . 1 . 2]" 1
1313 1 93 LYS H 1 93 LYS QG . . 4.440 3.495 3.292 4.092 . 0 0 "[ . 1 . 2]" 1
1314 1 93 LYS H 1 94 TYR H . . 4.490 4.458 4.395 4.503 0.013 13 0 "[ . 1 . 2]" 1
1315 1 93 LYS HA 1 93 LYS QD . . 4.870 3.797 2.539 4.100 . 0 0 "[ . 1 . 2]" 1
1316 1 93 LYS HA 1 94 TYR H . . 3.080 2.285 2.207 2.521 . 0 0 "[ . 1 . 2]" 1
1317 1 93 LYS HA 1 94 TYR HA . . 4.740 4.441 4.405 4.537 . 0 0 "[ . 1 . 2]" 1
1318 1 93 LYS HA 1 97 LYS H . . 4.240 4.057 3.846 4.217 . 0 0 "[ . 1 . 2]" 1
1319 1 93 LYS HA 1 98 HIS H . . 5.000 4.566 4.214 4.971 . 0 0 "[ . 1 . 2]" 1
1320 1 93 LYS HA 1 98 HIS HA . . 3.980 2.373 2.000 2.754 . 0 0 "[ . 1 . 2]" 1
1321 1 93 LYS HA 1 99 ILE H . . 3.870 3.351 2.953 3.808 . 0 0 "[ . 1 . 2]" 1
1322 1 93 LYS HB2 1 93 LYS HD2 . . 4.040 3.464 3.128 3.797 . 0 0 "[ . 1 . 2]" 1
1323 1 93 LYS HB2 1 93 LYS HD3 . . 4.040 3.459 2.455 4.175 0.135 14 0 "[ . 1 . 2]" 1
1324 1 93 LYS HB2 1 93 LYS HE2 . . 4.880 3.021 2.223 4.134 . 0 0 "[ . 1 . 2]" 1
1325 1 93 LYS HB2 1 93 LYS HE3 . . 4.880 3.566 2.503 4.485 . 0 0 "[ . 1 . 2]" 1
1326 1 93 LYS HB2 1 94 TYR H . . 4.240 4.085 3.694 4.227 . 0 0 "[ . 1 . 2]" 1
1327 1 93 LYS HB2 1 96 ASP HA . . 5.230 5.050 4.712 5.241 0.011 14 0 "[ . 1 . 2]" 1
1328 1 93 LYS HB2 1 97 LYS H . . 5.090 4.744 4.341 5.091 0.001 8 0 "[ . 1 . 2]" 1
1329 1 93 LYS HB3 1 93 LYS HE2 . . 4.090 2.847 2.018 3.933 . 0 0 "[ . 1 . 2]" 1
1330 1 93 LYS HB3 1 93 LYS HE3 . . 4.090 3.004 2.028 3.795 . 0 0 "[ . 1 . 2]" 1
1331 1 93 LYS HB3 1 94 TYR H . . 3.830 2.890 2.234 3.627 . 0 0 "[ . 1 . 2]" 1
1332 1 93 LYS HB3 1 96 ASP HA . . 3.980 3.661 3.380 3.980 . 0 0 "[ . 1 . 2]" 1
1333 1 93 LYS HB3 1 97 LYS H . . 3.760 3.082 2.599 3.764 0.004 16 0 "[ . 1 . 2]" 1
1334 1 93 LYS QD 1 96 ASP HA . . 3.890 3.098 1.856 3.892 0.002 14 0 "[ . 1 . 2]" 1
1335 1 93 LYS HD2 1 96 ASP HA . . 4.750 3.508 2.000 4.748 . 0 0 "[ . 1 . 2]" 1
1336 1 93 LYS HD3 1 96 ASP HA . . 4.750 4.001 2.200 4.702 . 0 0 "[ . 1 . 2]" 1
1337 1 93 LYS QE 1 93 LYS QG . . 3.230 2.328 2.122 2.591 . 0 0 "[ . 1 . 2]" 1
1338 1 93 LYS QE 1 96 ASP HA . . 4.280 2.855 1.963 3.916 . 0 0 "[ . 1 . 2]" 1
1339 1 93 LYS HE2 1 96 ASP HA . . 5.070 3.653 2.040 4.960 . 0 0 "[ . 1 . 2]" 1
1340 1 93 LYS HE2 1 97 LYS H . . 5.500 4.264 2.033 5.507 0.007 15 0 "[ . 1 . 2]" 1
1341 1 93 LYS HE2 1 98 HIS HD2 . . 5.000 4.374 2.870 4.952 . 0 0 "[ . 1 . 2]" 1
1342 1 93 LYS HE3 1 96 ASP HA . . 5.070 3.353 2.000 4.165 . 0 0 "[ . 1 . 2]" 1
1343 1 93 LYS HE3 1 97 LYS H . . 5.500 3.954 1.899 5.399 . 0 0 "[ . 1 . 2]" 1
1344 1 93 LYS HE3 1 98 HIS HD2 . . 5.000 4.114 2.098 4.997 . 0 0 "[ . 1 . 2]" 1
1345 1 93 LYS QG 1 94 TYR H . . 4.360 3.408 2.107 4.020 . 0 0 "[ . 1 . 2]" 1
1346 1 93 LYS QG 1 97 LYS H . . 4.500 3.705 1.892 4.383 . 0 0 "[ . 1 . 2]" 1
1347 1 93 LYS QG 1 98 HIS H . . 4.400 3.436 2.571 4.177 . 0 0 "[ . 1 . 2]" 1
1348 1 93 LYS QG 1 98 HIS HA . . 3.740 2.317 1.990 2.733 . 0 0 "[ . 1 . 2]" 1
1349 1 93 LYS QG 1 99 ILE H . . 4.500 4.131 3.777 4.447 . 0 0 "[ . 1 . 2]" 1
1350 1 93 LYS HG2 1 98 HIS HA . . 4.270 2.391 2.000 2.939 . 0 0 "[ . 1 . 2]" 1
1351 1 93 LYS HG3 1 98 HIS HA . . 4.270 3.676 2.350 4.285 0.015 14 0 "[ . 1 . 2]" 1
1352 1 94 TYR H 1 94 TYR HB2 . . 4.020 3.070 2.663 3.490 . 0 0 "[ . 1 . 2]" 1
1353 1 94 TYR H 1 94 TYR QB . . 3.520 2.611 2.487 2.758 . 0 0 "[ . 1 . 2]" 1
1354 1 94 TYR H 1 94 TYR HB3 . . 4.020 2.902 2.570 3.685 . 0 0 "[ . 1 . 2]" 1
1355 1 94 TYR H 1 96 ASP H . . 4.150 4.037 3.597 4.153 0.003 19 0 "[ . 1 . 2]" 1
1356 1 94 TYR H 1 97 LYS H . . 3.320 2.561 2.110 2.802 . 0 0 "[ . 1 . 2]" 1
1357 1 94 TYR H 1 98 HIS HA . . 4.170 3.532 3.117 3.913 . 0 0 "[ . 1 . 2]" 1
1358 1 94 TYR H 1 99 ILE H . . 4.730 4.444 3.979 4.718 . 0 0 "[ . 1 . 2]" 1
1359 1 94 TYR H 1 99 ILE MG . . 4.130 3.887 3.385 4.136 0.006 13 0 "[ . 1 . 2]" 1
1360 1 94 TYR HA 1 94 TYR QD . . 3.780 2.607 2.038 3.125 . 0 0 "[ . 1 . 2]" 1
1361 1 94 TYR HA 1 95 ASN H . . 3.210 2.163 2.138 2.236 . 0 0 "[ . 1 . 2]" 1
1362 1 94 TYR HA 1 95 ASN HA . . 4.560 4.370 4.359 4.399 . 0 0 "[ . 1 . 2]" 1
1363 1 94 TYR HA 1 96 ASP H . . 4.770 4.000 3.593 4.387 . 0 0 "[ . 1 . 2]" 1
1364 1 94 TYR HA 1 97 LYS H . . 4.910 4.360 4.170 4.483 . 0 0 "[ . 1 . 2]" 1
1365 1 94 TYR HB2 1 99 ILE MG . . 3.770 3.020 2.504 3.731 . 0 0 "[ . 1 . 2]" 1
1366 1 94 TYR HB3 1 99 ILE MG . . 3.770 3.341 2.732 3.772 0.002 5 0 "[ . 1 . 2]" 1
1367 1 94 TYR QD 1 95 ASN H . . 4.360 3.345 2.484 4.012 . 0 0 "[ . 1 . 2]" 1
1368 1 94 TYR QD 1 99 ILE MG . . 4.180 3.854 1.976 4.180 0.000 7 0 "[ . 1 . 2]" 1
1369 1 95 ASN H 1 96 ASP H . . 3.760 2.710 2.477 3.002 . 0 0 "[ . 1 . 2]" 1
1370 1 95 ASN H 1 96 ASP HA . . 5.500 4.961 4.736 5.257 . 0 0 "[ . 1 . 2]" 1
1371 1 95 ASN HA 1 96 ASP H . . 3.460 2.770 2.664 2.931 . 0 0 "[ . 1 . 2]" 1
1372 1 95 ASN QB 1 97 LYS H . . 5.180 4.287 3.811 5.150 . 0 0 "[ . 1 . 2]" 1
1373 1 95 ASN HB2 1 96 ASP H . . 4.900 4.467 4.258 4.626 . 0 0 "[ . 1 . 2]" 1
1374 1 95 ASN HB3 1 96 ASP H . . 4.900 4.321 4.077 4.658 . 0 0 "[ . 1 . 2]" 1
1375 1 96 ASP H 1 96 ASP QB . . 3.670 3.203 2.974 3.476 . 0 0 "[ . 1 . 2]" 1
1376 1 96 ASP H 1 97 LYS H . . 3.490 2.643 2.518 2.778 . 0 0 "[ . 1 . 2]" 1
1377 1 96 ASP QB 1 97 LYS H . . 4.320 3.862 3.777 3.920 . 0 0 "[ . 1 . 2]" 1
1378 1 97 LYS H 1 97 LYS QB . . 3.140 2.799 2.593 3.167 0.027 8 0 "[ . 1 . 2]" 1
1379 1 97 LYS H 1 97 LYS QG . . 3.810 3.486 2.607 3.832 0.022 7 0 "[ . 1 . 2]" 1
1380 1 97 LYS H 1 98 HIS H . . 4.800 4.050 3.787 4.374 . 0 0 "[ . 1 . 2]" 1
1381 1 97 LYS HA 1 97 LYS QG . . 3.830 2.521 2.157 3.432 . 0 0 "[ . 1 . 2]" 1
1382 1 97 LYS HA 1 98 HIS H . . 3.100 2.171 2.141 2.348 . 0 0 "[ . 1 . 2]" 1
1383 1 97 LYS QB 1 97 LYS QE . . 3.350 2.535 2.015 3.361 0.011 1 0 "[ . 1 . 2]" 1
1384 1 97 LYS QB 1 98 HIS H . . 3.600 3.382 2.525 3.602 0.002 7 0 "[ . 1 . 2]" 1
1385 1 97 LYS QG 1 98 HIS H . . 4.290 3.737 2.607 4.248 . 0 0 "[ . 1 . 2]" 1
1386 1 98 HIS H 1 98 HIS HB2 . . 3.290 2.212 2.182 2.293 . 0 0 "[ . 1 . 2]" 1
1387 1 98 HIS H 1 98 HIS HB3 . . 3.620 3.507 3.487 3.526 . 0 0 "[ . 1 . 2]" 1
1388 1 98 HIS H 1 98 HIS HD2 . . 3.690 3.027 2.703 3.470 . 0 0 "[ . 1 . 2]" 1
1389 1 98 HIS H 1 99 ILE H . . 4.730 4.587 4.399 4.646 . 0 0 "[ . 1 . 2]" 1
1390 1 98 HIS HA 1 99 ILE H . . 3.150 2.227 2.143 2.371 . 0 0 "[ . 1 . 2]" 1
1391 1 98 HIS HA 1 99 ILE QG . . 4.960 3.640 3.500 3.890 . 0 0 "[ . 1 . 2]" 1
1392 1 98 HIS HB2 1 98 HIS HD2 . . 3.950 2.850 2.751 2.949 . 0 0 "[ . 1 . 2]" 1
1393 1 98 HIS HB2 1 99 ILE H . . 4.680 4.221 3.943 4.518 . 0 0 "[ . 1 . 2]" 1
1394 1 98 HIS HB2 1 102 SER QB . . 5.340 5.166 4.666 5.342 0.002 20 0 "[ . 1 . 2]" 1
1395 1 98 HIS HB3 1 99 ILE H . . 4.240 3.059 2.589 3.664 . 0 0 "[ . 1 . 2]" 1
1396 1 98 HIS HB3 1 102 SER HB2 . . 4.710 4.013 3.627 4.668 . 0 0 "[ . 1 . 2]" 1
1397 1 98 HIS HB3 1 102 SER QB . . 4.030 3.638 3.088 3.810 . 0 0 "[ . 1 . 2]" 1
1398 1 98 HIS HB3 1 102 SER HB3 . . 4.710 4.305 3.174 4.726 0.016 13 0 "[ . 1 . 2]" 1
1399 1 98 HIS HD1 1 99 ILE H . . 4.570 3.720 3.348 4.270 . 0 0 "[ . 1 . 2]" 1
1400 1 98 HIS HD1 1 102 SER H . . 5.100 5.037 4.873 5.106 0.006 13 0 "[ . 1 . 2]" 1
1401 1 98 HIS HD1 1 102 SER HB2 . . 4.130 3.254 2.354 3.593 . 0 0 "[ . 1 . 2]" 1
1402 1 98 HIS HD1 1 102 SER HB3 . . 4.130 2.985 2.404 3.777 . 0 0 "[ . 1 . 2]" 1
1403 1 98 HIS HD1 1 103 PRO HA . . 4.990 4.329 3.995 4.915 . 0 0 "[ . 1 . 2]" 1
1404 1 99 ILE H 1 99 ILE MD . . 4.430 3.603 3.517 3.754 . 0 0 "[ . 1 . 2]" 1
1405 1 99 ILE H 1 99 ILE QG . . 3.450 1.902 1.809 2.072 . 0 0 "[ . 1 . 2]" 1
1406 1 99 ILE H 1 99 ILE MG . . 3.280 2.725 2.306 3.061 . 0 0 "[ . 1 . 2]" 1
1407 1 99 ILE H 1 102 SER HB2 . . 4.570 3.723 3.231 4.584 0.014 13 0 "[ . 1 . 2]" 1
1408 1 99 ILE H 1 102 SER QB . . 3.990 3.397 3.152 4.007 0.017 13 0 "[ . 1 . 2]" 1
1409 1 99 ILE H 1 102 SER HB3 . . 4.570 4.341 3.391 4.581 0.011 15 0 "[ . 1 . 2]" 1
1410 1 99 ILE HA 1 99 ILE MD . . 4.430 4.169 4.150 4.181 . 0 0 "[ . 1 . 2]" 1
1411 1 99 ILE HA 1 99 ILE MG . . 3.380 2.167 2.014 2.376 . 0 0 "[ . 1 . 2]" 1
1412 1 99 ILE HA 1 100 PRO HD2 . . 3.530 2.413 2.350 2.492 . 0 0 "[ . 1 . 2]" 1
1413 1 99 ILE HA 1 100 PRO HD3 . . 3.600 2.306 2.282 2.339 . 0 0 "[ . 1 . 2]" 1
1414 1 99 ILE HA 1 100 PRO HG2 . . 5.020 4.524 4.472 4.588 . 0 0 "[ . 1 . 2]" 1
1415 1 99 ILE HA 1 100 PRO HG3 . . 4.800 4.481 4.443 4.530 . 0 0 "[ . 1 . 2]" 1
1416 1 99 ILE HB 1 99 ILE MD . . 3.330 2.260 2.173 2.384 . 0 0 "[ . 1 . 2]" 1
1417 1 99 ILE HB 1 100 PRO HD2 . . 3.320 2.044 1.975 2.191 . 0 0 "[ . 1 . 2]" 1
1418 1 99 ILE HB 1 100 PRO HD3 . . 3.930 3.486 3.429 3.607 . 0 0 "[ . 1 . 2]" 1
1419 1 99 ILE HB 1 100 PRO HG2 . . 3.840 3.732 3.646 3.814 . 0 0 "[ . 1 . 2]" 1
1420 1 99 ILE MD 1 100 PRO HD2 . . 4.150 3.926 3.840 4.074 . 0 0 "[ . 1 . 2]" 1
1421 1 99 ILE MD 1 102 SER H . . 4.450 3.992 3.754 4.450 . 0 0 "[ . 1 . 2]" 1
1422 1 99 ILE MD 1 102 SER HB2 . . 4.650 3.366 2.966 4.390 . 0 0 "[ . 1 . 2]" 1
1423 1 99 ILE MD 1 102 SER QB . . 3.970 3.002 2.797 3.127 . 0 0 "[ . 1 . 2]" 1
1424 1 99 ILE MD 1 102 SER HB3 . . 4.650 3.811 2.886 4.537 . 0 0 "[ . 1 . 2]" 1
1425 1 99 ILE MD 1 104 PHE QD . . 4.050 3.535 2.938 4.029 . 0 0 "[ . 1 . 2]" 1
1426 1 99 ILE MD 1 104 PHE QE . . 3.700 1.948 1.804 2.207 . 0 0 "[ . 1 . 2]" 1
1427 1 99 ILE QG 1 102 SER H . . 3.820 3.112 2.734 3.514 . 0 0 "[ . 1 . 2]" 1
1428 1 99 ILE QG 1 102 SER HB2 . . 4.600 2.416 1.972 3.697 . 0 0 "[ . 1 . 2]" 1
1429 1 99 ILE QG 1 102 SER QB . . 3.850 2.093 1.961 2.754 . 0 0 "[ . 1 . 2]" 1
1430 1 99 ILE QG 1 102 SER HB3 . . 4.600 3.184 1.986 3.608 . 0 0 "[ . 1 . 2]" 1
1431 1 99 ILE QG 1 104 PHE QE . . 4.870 3.504 2.816 3.960 . 0 0 "[ . 1 . 2]" 1
1432 1 99 ILE MG 1 100 PRO HD2 . . 4.070 2.691 2.250 3.081 . 0 0 "[ . 1 . 2]" 1
1433 1 99 ILE MG 1 100 PRO HD3 . . 4.080 3.478 3.110 3.833 . 0 0 "[ . 1 . 2]" 1
1434 1 100 PRO HA 1 101 GLY H . . 2.840 2.232 2.180 2.328 . 0 0 "[ . 1 . 2]" 1
1435 1 100 PRO HA 1 101 GLY QA . . 4.350 3.905 3.902 3.916 . 0 0 "[ . 1 . 2]" 1
1436 1 100 PRO HA 1 102 SER H . . 3.900 3.803 3.644 3.904 0.004 19 0 "[ . 1 . 2]" 1
1437 1 100 PRO QB 1 101 GLY H . . 3.920 3.707 3.590 3.840 . 0 0 "[ . 1 . 2]" 1
1438 1 100 PRO HB2 1 101 GLY H . . 4.490 4.017 3.875 4.177 . 0 0 "[ . 1 . 2]" 1
1439 1 100 PRO HB3 1 101 GLY H . . 4.490 4.353 4.243 4.481 . 0 0 "[ . 1 . 2]" 1
1440 1 101 GLY H 1 102 SER H . . 3.490 2.093 1.794 2.408 . 0 0 "[ . 1 . 2]" 1
1441 1 101 GLY QA 1 104 PHE QD . . 4.460 4.395 4.012 4.482 0.022 13 0 "[ . 1 . 2]" 1
1442 1 101 GLY QA 1 104 PHE QE . . 3.940 2.977 2.579 3.298 . 0 0 "[ . 1 . 2]" 1
1443 1 101 GLY HA2 1 104 PHE QE . . 4.650 4.174 3.774 4.620 . 0 0 "[ . 1 . 2]" 1
1444 1 101 GLY HA3 1 104 PHE QE . . 4.650 3.053 2.626 3.386 . 0 0 "[ . 1 . 2]" 1
1445 1 102 SER H 1 102 SER HB2 . . 3.470 2.590 2.196 3.549 0.079 20 0 "[ . 1 . 2]" 1
1446 1 102 SER H 1 102 SER QB . . 3.040 2.312 2.173 2.970 . 0 0 "[ . 1 . 2]" 1
1447 1 102 SER H 1 102 SER HB3 . . 3.470 3.250 2.249 3.515 0.045 9 0 "[ . 1 . 2]" 1
1448 1 102 SER HA 1 103 PRO HA . . 3.420 2.460 2.216 2.501 . 0 0 "[ . 1 . 2]" 1
1449 1 102 SER HA 1 103 PRO HB2 . . 5.120 4.445 4.308 4.471 . 0 0 "[ . 1 . 2]" 1
1450 1 102 SER HA 1 103 PRO QB . . 4.490 4.006 3.858 4.032 . 0 0 "[ . 1 . 2]" 1
1451 1 102 SER HA 1 103 PRO HB3 . . 5.120 4.552 4.355 4.586 . 0 0 "[ . 1 . 2]" 1
1452 1 102 SER HA 1 103 PRO QG . . 5.230 4.524 4.477 4.533 . 0 0 "[ . 1 . 2]" 1
1453 1 102 SER HA 1 104 PHE H . . 3.700 3.183 2.662 3.664 . 0 0 "[ . 1 . 2]" 1
1454 1 102 SER HA 1 104 PHE QD . . 4.140 3.616 3.172 3.819 . 0 0 "[ . 1 . 2]" 1
1455 1 102 SER HA 1 104 PHE QE . . 5.380 3.973 3.259 4.403 . 0 0 "[ . 1 . 2]" 1
1456 1 102 SER QB 1 103 PRO HA . . 4.420 2.045 1.972 3.209 . 0 0 "[ . 1 . 2]" 1
1457 1 102 SER QB 1 104 PHE QD . . 4.500 3.945 3.111 4.281 . 0 0 "[ . 1 . 2]" 1
1458 1 102 SER QB 1 104 PHE QE . . 4.200 3.649 2.249 4.135 . 0 0 "[ . 1 . 2]" 1
1459 1 103 PRO HA 1 104 PHE H . . 3.180 2.330 2.175 2.567 . 0 0 "[ . 1 . 2]" 1
1460 1 103 PRO HA 1 104 PHE QD . . 4.300 4.126 3.167 4.334 0.034 15 0 "[ . 1 . 2]" 1
1461 1 103 PRO QB 1 104 PHE H . . 3.660 2.731 2.189 3.175 . 0 0 "[ . 1 . 2]" 1
1462 1 103 PRO HB2 1 104 PHE H . . 4.210 2.842 2.224 3.366 . 0 0 "[ . 1 . 2]" 1
1463 1 103 PRO HB3 1 104 PHE H . . 4.210 3.588 3.271 3.890 . 0 0 "[ . 1 . 2]" 1
1464 1 104 PHE H 1 104 PHE HB2 . . 4.090 2.435 2.288 2.753 . 0 0 "[ . 1 . 2]" 1
1465 1 104 PHE H 1 104 PHE QB . . 3.500 2.400 2.262 2.694 . 0 0 "[ . 1 . 2]" 1
1466 1 104 PHE H 1 104 PHE HB3 . . 4.090 3.648 3.555 3.827 . 0 0 "[ . 1 . 2]" 1
1467 1 104 PHE H 1 104 PHE QD . . 3.450 3.061 2.627 3.371 . 0 0 "[ . 1 . 2]" 1
1468 1 104 PHE H 1 105 THR H . . 4.850 4.543 4.433 4.617 . 0 0 "[ . 1 . 2]" 1
1469 1 104 PHE HA 1 104 PHE QD . . 4.020 2.527 2.349 3.022 . 0 0 "[ . 1 . 2]" 1
1470 1 104 PHE HA 1 105 THR H . . 2.830 2.295 2.216 2.499 . 0 0 "[ . 1 . 2]" 1
1471 1 104 PHE HA 1 105 THR HB . . 4.740 4.651 4.552 4.705 . 0 0 "[ . 1 . 2]" 1
1472 1 104 PHE QB 1 105 THR H . . 3.380 2.674 2.206 2.884 . 0 0 "[ . 1 . 2]" 1
1473 1 104 PHE QB 1 106 ALA MB . . 4.710 4.233 3.988 4.508 . 0 0 "[ . 1 . 2]" 1
1474 1 104 PHE HB2 1 105 THR H . . 4.020 3.911 3.623 4.023 0.003 10 0 "[ . 1 . 2]" 1
1475 1 104 PHE HB3 1 105 THR H . . 4.020 2.724 2.225 2.957 . 0 0 "[ . 1 . 2]" 1
1476 1 104 PHE QD 1 105 THR H . . 4.120 3.481 3.078 4.123 0.003 17 0 "[ . 1 . 2]" 1
1477 1 105 THR H 1 105 THR HB . . 3.190 2.700 2.596 2.958 . 0 0 "[ . 1 . 2]" 1
1478 1 105 THR H 1 105 THR MG . . 4.040 3.882 3.834 3.985 . 0 0 "[ . 1 . 2]" 1
1479 1 105 THR H 1 106 ALA H . . 4.310 4.157 3.934 4.312 0.002 19 0 "[ . 1 . 2]" 1
1480 1 105 THR HA 1 105 THR MG . . 3.260 2.336 2.240 2.421 . 0 0 "[ . 1 . 2]" 1
1481 1 105 THR HA 1 106 ALA H . . 2.870 2.164 2.141 2.234 . 0 0 "[ . 1 . 2]" 1
1482 1 105 THR HB 1 106 ALA H . . 4.560 4.313 4.105 4.475 . 0 0 "[ . 1 . 2]" 1
1483 1 106 ALA H 1 106 ALA MB . . 3.150 2.305 2.116 2.458 . 0 0 "[ . 1 . 2]" 1
1484 1 106 ALA H 1 107 LYS H . . 4.710 4.331 4.175 4.538 . 0 0 "[ . 1 . 2]" 1
1485 1 106 ALA HA 1 107 LYS H . . 2.830 2.158 2.140 2.212 . 0 0 "[ . 1 . 2]" 1
1486 1 106 ALA MB 1 107 LYS H . . 3.440 3.289 2.867 3.444 0.004 13 0 "[ . 1 . 2]" 1
1487 1 106 ALA MB 1 108 ILE MD . . 3.690 3.242 2.949 3.588 . 0 0 "[ . 1 . 2]" 1
1488 1 106 ALA MB 1 108 ILE HG12 . . 4.170 3.280 2.957 3.683 . 0 0 "[ . 1 . 2]" 1
1489 1 107 LYS H 1 107 LYS QB . . 3.070 2.298 2.159 2.555 . 0 0 "[ . 1 . 2]" 1
1490 1 107 LYS H 1 107 LYS HG2 . . 4.650 4.042 2.282 4.653 0.003 16 0 "[ . 1 . 2]" 1
1491 1 107 LYS H 1 107 LYS HG3 . . 4.650 3.914 2.058 4.500 . 0 0 "[ . 1 . 2]" 1
1492 1 107 LYS H 1 108 ILE H . . 4.790 4.089 3.927 4.313 . 0 0 "[ . 1 . 2]" 1
1493 1 107 LYS HA 1 107 LYS QD . . 4.120 3.355 2.009 4.114 . 0 0 "[ . 1 . 2]" 1
1494 1 107 LYS HA 1 107 LYS HG2 . . 3.970 3.049 2.190 3.880 . 0 0 "[ . 1 . 2]" 1
1495 1 107 LYS HA 1 107 LYS HG3 . . 3.970 2.864 2.230 3.806 . 0 0 "[ . 1 . 2]" 1
1496 1 107 LYS HA 1 108 ILE H . . 3.080 2.262 2.175 2.348 . 0 0 "[ . 1 . 2]" 1
1497 1 107 LYS QB 1 107 LYS QE . . 3.800 2.979 2.003 3.792 . 0 0 "[ . 1 . 2]" 1
1498 1 107 LYS QB 1 108 ILE H . . 4.030 3.902 3.617 4.031 0.001 3 0 "[ . 1 . 2]" 1
1499 1 107 LYS QE 1 107 LYS HG2 . . 3.690 2.703 2.057 3.475 . 0 0 "[ . 1 . 2]" 1
1500 1 107 LYS QE 1 107 LYS HG3 . . 3.690 2.716 2.170 3.447 . 0 0 "[ . 1 . 2]" 1
1501 1 108 ILE H 1 108 ILE HB . . 3.500 2.485 2.410 2.559 . 0 0 "[ . 1 . 2]" 1
1502 1 108 ILE H 1 108 ILE MD . . 4.320 4.091 3.976 4.233 . 0 0 "[ . 1 . 2]" 1
1503 1 108 ILE H 1 108 ILE HG12 . . 3.730 3.381 3.131 3.574 . 0 0 "[ . 1 . 2]" 1
1504 1 108 ILE H 1 108 ILE HG13 . . 3.960 2.681 2.476 2.899 . 0 0 "[ . 1 . 2]" 1
1505 1 108 ILE H 1 108 ILE MG . . 4.040 3.776 3.743 3.800 . 0 0 "[ . 1 . 2]" 1
1506 1 108 ILE H 1 109 THR H . . 4.620 4.557 4.500 4.606 . 0 0 "[ . 1 . 2]" 1
1507 1 108 ILE HA 1 108 ILE MD . . 3.590 3.590 3.576 3.598 0.008 2 0 "[ . 1 . 2]" 1
1508 1 108 ILE HA 1 108 ILE MG . . 3.670 2.441 2.392 2.477 . 0 0 "[ . 1 . 2]" 1
1509 1 108 ILE HA 1 109 THR H . . 3.020 2.222 2.185 2.279 . 0 0 "[ . 1 . 2]" 1
1510 1 108 ILE HB 1 109 THR H . . 4.780 3.982 3.843 4.108 . 0 0 "[ . 1 . 2]" 1
1511 1 108 ILE MD 1 108 ILE MG . . 2.940 1.853 1.828 1.885 . 0 0 "[ . 1 . 2]" 1
1512 1 108 ILE MD 1 109 THR H . . 4.540 4.480 4.299 4.590 0.050 15 0 "[ . 1 . 2]" 1
1513 1 108 ILE HG12 1 108 ILE MG . . 3.360 2.611 2.591 2.628 . 0 0 "[ . 1 . 2]" 1
1514 1 108 ILE HG12 1 109 THR H . . 4.560 4.173 4.011 4.325 . 0 0 "[ . 1 . 2]" 1
1515 1 108 ILE MG 1 109 THR H . . 3.590 2.234 2.074 2.423 . 0 0 "[ . 1 . 2]" 1
1516 1 108 ILE MG 1 109 THR HA . . 4.070 3.446 3.237 3.608 . 0 0 "[ . 1 . 2]" 1
1517 1 109 THR H 1 109 THR HB . . 4.050 3.498 2.991 3.924 . 0 0 "[ . 1 . 2]" 1
1518 1 109 THR H 1 109 THR MG . . 3.470 2.406 1.942 2.833 . 0 0 "[ . 1 . 2]" 1
1519 1 109 THR H 1 110 ASP H . . 4.660 4.446 4.398 4.521 . 0 0 "[ . 1 . 2]" 1
1520 1 109 THR HA 1 110 ASP H . . 2.970 2.530 2.379 2.638 . 0 0 "[ . 1 . 2]" 1
1521 1 109 THR HB 1 110 ASP H . . 3.680 2.852 1.988 3.680 . 0 0 "[ . 1 . 2]" 1
1522 1 109 THR MG 1 110 ASP H . . 3.860 3.424 2.658 3.820 . 0 0 "[ . 1 . 2]" 1
1523 1 110 ASP H 1 110 ASP HB2 . . 3.820 3.535 2.831 3.799 . 0 0 "[ . 1 . 2]" 1
1524 1 110 ASP H 1 110 ASP QB . . 3.240 2.529 2.206 2.773 . 0 0 "[ . 1 . 2]" 1
1525 1 110 ASP H 1 110 ASP HB3 . . 3.820 2.606 2.255 2.980 . 0 0 "[ . 1 . 2]" 1
1526 1 110 ASP HA 1 111 ASP H . . 3.090 2.205 2.138 2.353 . 0 0 "[ . 1 . 2]" 1
1527 1 110 ASP QB 1 111 ASP H . . 3.870 3.319 2.698 3.877 0.007 7 0 "[ . 1 . 2]" 1
1528 1 111 ASP H 1 111 ASP HB2 . . 3.970 2.927 2.391 3.720 . 0 0 "[ . 1 . 2]" 1
1529 1 111 ASP H 1 111 ASP QB . . 3.410 2.516 2.269 2.931 . 0 0 "[ . 1 . 2]" 1
1530 1 111 ASP H 1 111 ASP HB3 . . 3.970 2.871 2.478 3.677 . 0 0 "[ . 1 . 2]" 1
1531 1 111 ASP H 1 112 SER H . . 3.840 2.867 1.967 3.837 . 0 0 "[ . 1 . 2]" 1
1532 1 111 ASP HA 1 113 ARG H . . 4.910 4.235 3.162 4.873 . 0 0 "[ . 1 . 2]" 1
1533 1 111 ASP HB2 1 112 SER H . . 4.570 4.160 3.316 4.578 0.008 19 0 "[ . 1 . 2]" 1
1534 1 111 ASP HB3 1 112 SER H . . 4.570 3.620 2.061 4.566 . 0 0 "[ . 1 . 2]" 1
1535 1 112 SER H 1 112 SER QB . . 3.610 2.462 2.179 3.302 . 0 0 "[ . 1 . 2]" 1
1536 1 112 SER H 1 113 ARG H . . 4.300 3.132 2.149 4.114 . 0 0 "[ . 1 . 2]" 1
1537 1 112 SER QB 1 113 ARG H . . 4.510 3.312 2.102 4.041 . 0 0 "[ . 1 . 2]" 1
1538 1 113 ARG H 1 113 ARG HB2 . . 4.200 2.860 2.188 3.818 . 0 0 "[ . 1 . 2]" 1
1539 1 113 ARG H 1 113 ARG QB . . 3.530 2.432 2.132 3.378 . 0 0 "[ . 1 . 2]" 1
1540 1 113 ARG H 1 113 ARG HB3 . . 4.200 2.781 2.401 4.059 . 0 0 "[ . 1 . 2]" 1
1541 1 113 ARG H 1 113 ARG QG . . 4.100 3.579 2.224 4.110 0.010 2 0 "[ . 1 . 2]" 1
1542 1 113 ARG HA 1 113 ARG QG . . 3.860 2.736 2.177 3.442 . 0 0 "[ . 1 . 2]" 1
1543 1 113 ARG QG 1 114 ARG H . . 4.900 3.218 2.196 4.517 . 0 0 "[ . 1 . 2]" 1
1544 1 114 ARG H 1 114 ARG QG . . 4.400 3.194 1.911 4.317 . 0 0 "[ . 1 . 2]" 1
1545 1 114 ARG HA 1 115 CYS H . . 3.540 2.517 2.144 3.562 0.022 12 0 "[ . 1 . 2]" 1
1546 1 114 ARG QB 1 114 ARG QG . . 2.370 2.064 2.009 2.087 . 0 0 "[ . 1 . 2]" 1
1547 1 114 ARG HB2 1 115 CYS H . . 4.940 3.701 2.177 4.613 . 0 0 "[ . 1 . 2]" 1
1548 1 114 ARG HB3 1 115 CYS H . . 4.940 3.890 2.674 4.400 . 0 0 "[ . 1 . 2]" 1
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