NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
464233 |
2rqv   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2rqv
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 1022
_Distance_constraint_stats_list.Viol_count 854
_Distance_constraint_stats_list.Viol_total 279.825
_Distance_constraint_stats_list.Viol_max 0.267
_Distance_constraint_stats_list.Viol_rms 0.0065
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0007
_Distance_constraint_stats_list.Viol_average_violations_only 0.0164
_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 1 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 2 PRO 0.256 0.252 20 0 "[ . 1 . 2]"
1 3 LEU 0.344 0.252 20 0 "[ . 1 . 2]"
1 4 GLY 0.064 0.064 14 0 "[ . 1 . 2]"
1 5 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 6 LEU 0.022 0.007 18 0 "[ . 1 . 2]"
1 7 TYR 0.001 0.001 15 0 "[ . 1 . 2]"
1 8 ALA 0.007 0.003 11 0 "[ . 1 . 2]"
1 9 ILE 0.346 0.054 13 0 "[ . 1 . 2]"
1 10 VAL 0.316 0.085 20 0 "[ . 1 . 2]"
1 11 LEU 0.871 0.240 6 0 "[ . 1 . 2]"
1 12 TYR 0.396 0.085 20 0 "[ . 1 . 2]"
1 13 ASP 0.458 0.081 19 0 "[ . 1 . 2]"
1 14 PHE 0.578 0.089 12 0 "[ . 1 . 2]"
1 15 LYS 0.551 0.144 8 0 "[ . 1 . 2]"
1 16 ALA 1.142 0.092 17 0 "[ . 1 . 2]"
1 17 GLU 0.266 0.044 14 0 "[ . 1 . 2]"
1 18 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 ALA 0.035 0.034 1 0 "[ . 1 . 2]"
1 20 ASP 0.071 0.034 1 0 "[ . 1 . 2]"
1 21 GLU 1.146 0.092 17 0 "[ . 1 . 2]"
1 22 LEU 1.151 0.078 17 0 "[ . 1 . 2]"
1 23 THR 0.421 0.049 12 0 "[ . 1 . 2]"
1 24 THR 0.147 0.029 12 0 "[ . 1 . 2]"
1 25 TYR 0.551 0.169 14 0 "[ . 1 . 2]"
1 26 VAL 1.429 0.169 14 0 "[ . 1 . 2]"
1 27 GLY 0.206 0.054 13 0 "[ . 1 . 2]"
1 28 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 ASN 0.076 0.027 19 0 "[ . 1 . 2]"
1 30 LEU 0.152 0.060 20 0 "[ . 1 . 2]"
1 32 ILE 0.272 0.022 19 0 "[ . 1 . 2]"
1 33 CYS 0.053 0.012 6 0 "[ . 1 . 2]"
1 34 ALA 0.240 0.056 19 0 "[ . 1 . 2]"
1 35 HIS 0.696 0.056 19 0 "[ . 1 . 2]"
1 36 HIS 0.161 0.105 18 0 "[ . 1 . 2]"
1 37 ASN 0.289 0.107 11 0 "[ . 1 . 2]"
1 38 CYS 0.192 0.026 18 0 "[ . 1 . 2]"
1 39 GLU 0.777 0.197 15 0 "[ . 1 . 2]"
1 40 TRP 0.981 0.197 15 0 "[ . 1 . 2]"
1 41 PHE 1.505 0.079 19 0 "[ . 1 . 2]"
1 42 ILE 1.025 0.183 18 0 "[ . 1 . 2]"
1 43 ALA 0.460 0.267 14 0 "[ . 1 . 2]"
1 44 LYS 0.451 0.267 14 0 "[ . 1 . 2]"
1 45 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 ARG 0.040 0.039 7 0 "[ . 1 . 2]"
1 49 LEU 0.040 0.039 7 0 "[ . 1 . 2]"
1 50 GLY 0.004 0.004 7 0 "[ . 1 . 2]"
1 51 GLY 0.007 0.007 5 0 "[ . 1 . 2]"
1 52 PRO 0.040 0.016 15 0 "[ . 1 . 2]"
1 53 GLY 0.416 0.142 18 0 "[ . 1 . 2]"
1 54 LEU 1.167 0.072 7 0 "[ . 1 . 2]"
1 55 VAL 1.453 0.091 11 0 "[ . 1 . 2]"
1 56 PRO 0.176 0.144 20 0 "[ . 1 . 2]"
1 57 VAL 0.386 0.065 20 0 "[ . 1 . 2]"
1 58 GLY 0.166 0.065 20 0 "[ . 1 . 2]"
1 59 PHE 0.401 0.144 20 0 "[ . 1 . 2]"
1 60 VAL 0.818 0.240 6 0 "[ . 1 . 2]"
1 61 SER 0.119 0.028 10 0 "[ . 1 . 2]"
1 62 ILE 0.061 0.008 15 0 "[ . 1 . 2]"
1 63 ILE 0.017 0.004 19 0 "[ . 1 . 2]"
1 67 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 68 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 69 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 70 ALA 0.013 0.004 19 0 "[ . 1 . 2]"
1 71 THR 0.020 0.004 14 0 "[ . 1 . 2]"
1 72 GLY 0.007 0.002 11 0 "[ . 1 . 2]"
1 73 ASN 0.010 0.003 9 0 "[ . 1 . 2]"
1 74 ASP 0.013 0.007 13 0 "[ . 1 . 2]"
1 75 VAL 0.139 0.010 13 0 "[ . 1 . 2]"
1 76 ILE 0.090 0.010 13 0 "[ . 1 . 2]"
1 77 GLU 0.071 0.018 19 0 "[ . 1 . 2]"
1 78 ASP 0.050 0.007 13 0 "[ . 1 . 2]"
1 79 ILE 0.390 0.058 9 0 "[ . 1 . 2]"
1 80 LYS 0.052 0.008 9 0 "[ . 1 . 2]"
1 81 SER 0.290 0.179 19 0 "[ . 1 . 2]"
1 82 VAL 0.485 0.179 19 0 "[ . 1 . 2]"
1 83 ASN 0.073 0.033 9 0 "[ . 1 . 2]"
1 84 LEU 0.228 0.058 9 0 "[ . 1 . 2]"
1 85 PRO 0.034 0.032 6 0 "[ . 1 . 2]"
1 86 THR 0.068 0.012 18 0 "[ . 1 . 2]"
1 87 VAL 0.372 0.098 19 0 "[ . 1 . 2]"
1 88 GLN 0.014 0.005 15 0 "[ . 1 . 2]"
1 89 GLU 0.055 0.032 6 0 "[ . 1 . 2]"
1 90 TRP 0.039 0.007 6 0 "[ . 1 . 2]"
1 91 LYS 0.004 0.002 19 0 "[ . 1 . 2]"
1 92 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 93 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 94 ILE 0.065 0.047 18 0 "[ . 1 . 2]"
1 95 ALA 0.151 0.054 16 0 "[ . 1 . 2]"
1 96 ARG 0.192 0.054 16 0 "[ . 1 . 2]"
1 97 TYR 0.098 0.034 20 0 "[ . 1 . 2]"
1 98 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 99 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 100 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 101 ASN 0.001 0.001 12 0 "[ . 1 . 2]"
1 102 ILE 0.002 0.001 12 0 "[ . 1 . 2]"
1 103 SER 0.001 0.001 2 0 "[ . 1 . 2]"
1 107 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 108 GLU 0.000 0.000 . 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 1 GLY QA 1 2 PRO HA . . 4.370 4.007 3.960 4.140 . 0 0 "[ . 1 . 2]" 1
2 1 2 PRO HA 1 3 LEU H . . 3.210 2.355 2.149 3.462 0.252 20 0 "[ . 1 . 2]" 1
3 1 2 PRO HA 1 3 LEU HG . . 4.170 3.850 3.100 4.175 0.005 14 0 "[ . 1 . 2]" 1
4 1 3 LEU H 1 3 LEU MD1 . . 4.120 3.087 1.873 4.136 0.016 9 0 "[ . 1 . 2]" 1
5 1 3 LEU H 1 3 LEU MD2 . . 4.120 3.563 1.939 4.127 0.007 14 0 "[ . 1 . 2]" 1
6 1 3 LEU H 1 3 LEU HG . . 3.620 2.576 1.975 3.187 . 0 0 "[ . 1 . 2]" 1
7 1 3 LEU HA 1 3 LEU MD1 . . 4.190 3.746 3.403 4.134 . 0 0 "[ . 1 . 2]" 1
8 1 3 LEU HA 1 3 LEU QD . . 3.250 2.715 2.091 3.251 0.001 18 0 "[ . 1 . 2]" 1
9 1 3 LEU HA 1 3 LEU MD2 . . 4.190 2.966 2.099 4.117 . 0 0 "[ . 1 . 2]" 1
10 1 3 LEU HA 1 4 GLY H . . 3.530 2.559 2.180 3.594 0.064 14 0 "[ . 1 . 2]" 1
11 1 3 LEU HA 1 4 GLY QA . . 4.550 4.036 3.907 4.399 . 0 0 "[ . 1 . 2]" 1
12 1 3 LEU QD 1 4 GLY H . . 4.150 3.648 2.453 4.150 . 0 0 "[ . 1 . 2]" 1
13 1 3 LEU QD 1 5 SER H . . 5.290 4.526 3.698 5.145 . 0 0 "[ . 1 . 2]" 1
14 1 3 LEU MD1 1 81 SER HB3 . . 5.830 4.287 2.016 5.830 . 0 0 "[ . 1 . 2]" 1
15 1 3 LEU MD2 1 81 SER HB3 . . 5.830 3.907 2.246 5.599 . 0 0 "[ . 1 . 2]" 1
16 1 4 GLY H 1 5 SER H . . 4.530 2.193 1.902 2.791 . 0 0 "[ . 1 . 2]" 1
17 1 4 GLY H 1 82 VAL HB . . 4.780 3.747 1.958 4.708 . 0 0 "[ . 1 . 2]" 1
18 1 4 GLY QA 1 5 SER H . . 3.270 2.866 2.611 2.990 . 0 0 "[ . 1 . 2]" 1
19 1 4 GLY QA 1 5 SER HA . . 4.860 4.011 3.951 4.124 . 0 0 "[ . 1 . 2]" 1
20 1 4 GLY QA 1 82 VAL HB . . 4.840 4.087 3.301 4.837 . 0 0 "[ . 1 . 2]" 1
21 1 4 GLY QA 1 82 VAL QG . . 4.870 2.432 1.779 3.982 . 0 0 "[ . 1 . 2]" 1
22 1 5 SER H 1 82 VAL HB . . 4.640 3.682 2.704 4.406 . 0 0 "[ . 1 . 2]" 1
23 1 5 SER H 1 82 VAL MG1 . . 5.500 3.935 1.939 5.235 . 0 0 "[ . 1 . 2]" 1
24 1 5 SER H 1 82 VAL QG . . 4.030 2.655 1.919 3.525 . 0 0 "[ . 1 . 2]" 1
25 1 5 SER H 1 82 VAL MG2 . . 5.500 2.989 1.931 5.312 . 0 0 "[ . 1 . 2]" 1
26 1 6 LEU H 1 6 LEU MD1 . . 4.730 3.965 1.892 4.716 . 0 0 "[ . 1 . 2]" 1
27 1 6 LEU H 1 6 LEU QD . . 4.000 3.362 1.889 3.919 . 0 0 "[ . 1 . 2]" 1
28 1 6 LEU H 1 6 LEU MD2 . . 4.730 3.998 1.986 4.621 . 0 0 "[ . 1 . 2]" 1
29 1 6 LEU QD 1 7 TYR H . . 4.360 2.875 2.059 4.361 0.001 15 0 "[ . 1 . 2]" 1
30 1 6 LEU QD 1 32 ILE HB . . 3.390 2.881 2.156 3.394 0.004 16 0 "[ . 1 . 2]" 1
31 1 6 LEU QD 1 32 ILE MG . . 3.820 3.374 2.569 3.821 0.001 1 0 "[ . 1 . 2]" 1
32 1 6 LEU QD 1 75 VAL HA . . 4.590 4.250 3.692 4.592 0.002 5 0 "[ . 1 . 2]" 1
33 1 6 LEU QD 1 78 ASP H . . 4.680 4.442 3.991 4.681 0.001 7 0 "[ . 1 . 2]" 1
34 1 6 LEU QD 1 78 ASP HA . . 4.010 3.560 2.865 4.011 0.001 15 0 "[ . 1 . 2]" 1
35 1 6 LEU QD 1 78 ASP HB3 . . 4.190 2.009 1.695 2.335 . 0 0 "[ . 1 . 2]" 1
36 1 6 LEU QD 1 79 ILE H . . 5.200 3.770 3.186 4.402 . 0 0 "[ . 1 . 2]" 1
37 1 6 LEU QD 1 79 ILE HA . . 3.630 2.651 1.812 3.561 . 0 0 "[ . 1 . 2]" 1
38 1 6 LEU QD 1 82 VAL H . . 4.450 3.663 3.066 4.214 . 0 0 "[ . 1 . 2]" 1
39 1 6 LEU MD1 1 7 TYR H . . 5.020 3.480 2.064 4.802 . 0 0 "[ . 1 . 2]" 1
40 1 6 LEU MD1 1 82 VAL H . . 5.460 4.421 3.348 5.467 0.007 18 0 "[ . 1 . 2]" 1
41 1 6 LEU MD2 1 7 TYR H . . 5.020 3.597 2.234 5.001 . 0 0 "[ . 1 . 2]" 1
42 1 6 LEU MD2 1 82 VAL H . . 5.460 4.229 3.084 5.355 . 0 0 "[ . 1 . 2]" 1
43 1 8 ALA H 1 62 ILE MD . . 4.390 3.914 3.309 4.238 . 0 0 "[ . 1 . 2]" 1
44 1 8 ALA HA 1 9 ILE MG . . 4.310 3.692 2.955 4.213 . 0 0 "[ . 1 . 2]" 1
45 1 8 ALA HA 1 62 ILE HA . . 4.200 2.583 2.007 3.095 . 0 0 "[ . 1 . 2]" 1
46 1 8 ALA HA 1 62 ILE MD . . 4.490 2.194 1.881 2.644 . 0 0 "[ . 1 . 2]" 1
47 1 8 ALA HA 1 63 ILE MG . . 5.120 5.011 4.604 5.123 0.003 11 0 "[ . 1 . 2]" 1
48 1 8 ALA MB 1 9 ILE H . . 3.600 2.739 2.226 3.146 . 0 0 "[ . 1 . 2]" 1
49 1 8 ALA MB 1 32 ILE HB . . 4.960 3.874 3.383 4.273 . 0 0 "[ . 1 . 2]" 1
50 1 8 ALA MB 1 32 ILE MD . . 3.300 2.147 1.771 2.800 . 0 0 "[ . 1 . 2]" 1
51 1 8 ALA MB 1 60 VAL HB . . 3.550 2.501 2.006 3.132 . 0 0 "[ . 1 . 2]" 1
52 1 8 ALA MB 1 62 ILE HA . . 4.090 3.562 2.934 4.091 0.001 6 0 "[ . 1 . 2]" 1
53 1 8 ALA MB 1 62 ILE MD . . 3.100 1.908 1.676 2.359 . 0 0 "[ . 1 . 2]" 1
54 1 9 ILE H 1 9 ILE MD . . 4.830 4.361 4.079 4.799 . 0 0 "[ . 1 . 2]" 1
55 1 9 ILE H 1 9 ILE MG . . 3.490 2.154 1.850 2.542 . 0 0 "[ . 1 . 2]" 1
56 1 9 ILE H 1 10 VAL H . . 5.080 4.375 4.200 4.535 . 0 0 "[ . 1 . 2]" 1
57 1 9 ILE H 1 60 VAL HB . . 4.640 3.754 3.097 4.591 . 0 0 "[ . 1 . 2]" 1
58 1 9 ILE H 1 62 ILE HA . . 4.460 3.587 3.223 3.821 . 0 0 "[ . 1 . 2]" 1
59 1 9 ILE H 1 63 ILE MD . . 4.980 4.372 3.177 4.980 . 0 0 "[ . 1 . 2]" 1
60 1 9 ILE H 1 63 ILE MG . . 4.910 4.488 4.086 4.896 . 0 0 "[ . 1 . 2]" 1
61 1 9 ILE HA 1 9 ILE MD . . 4.200 3.073 2.400 3.857 . 0 0 "[ . 1 . 2]" 1
62 1 9 ILE HA 1 10 VAL H . . 3.290 2.202 2.179 2.245 . 0 0 "[ . 1 . 2]" 1
63 1 9 ILE HA 1 29 ASN HA . . 4.100 2.427 2.156 2.857 . 0 0 "[ . 1 . 2]" 1
64 1 9 ILE HB 1 29 ASN HA . . 4.400 3.685 2.553 4.380 . 0 0 "[ . 1 . 2]" 1
65 1 9 ILE MD 1 10 VAL H . . 4.070 3.119 2.334 4.115 0.045 18 0 "[ . 1 . 2]" 1
66 1 9 ILE MD 1 27 GLY HA2 . . 4.040 2.804 2.196 3.149 . 0 0 "[ . 1 . 2]" 1
67 1 9 ILE MD 1 27 GLY HA3 . . 4.040 3.967 3.502 4.094 0.054 13 0 "[ . 1 . 2]" 1
68 1 9 ILE MD 1 29 ASN H . . 5.500 4.637 3.703 5.317 . 0 0 "[ . 1 . 2]" 1
69 1 9 ILE MD 1 29 ASN HA . . 5.410 3.541 2.395 4.214 . 0 0 "[ . 1 . 2]" 1
70 1 9 ILE MD 1 29 ASN HD21 . . 4.320 2.904 1.814 4.055 . 0 0 "[ . 1 . 2]" 1
71 1 9 ILE MD 1 29 ASN HD22 . . 4.150 3.102 1.891 4.076 . 0 0 "[ . 1 . 2]" 1
72 1 9 ILE HG13 1 10 VAL H . . 4.520 3.660 2.528 4.564 0.044 19 0 "[ . 1 . 2]" 1
73 1 9 ILE MG 1 10 VAL H . . 4.530 4.003 3.580 4.398 . 0 0 "[ . 1 . 2]" 1
74 1 9 ILE MG 1 29 ASN HA . . 5.180 4.741 4.057 5.181 0.001 5 0 "[ . 1 . 2]" 1
75 1 9 ILE MG 1 60 VAL HB . . 5.240 4.761 4.178 5.216 . 0 0 "[ . 1 . 2]" 1
76 1 9 ILE MG 1 61 SER HA . . 4.660 4.248 3.940 4.610 . 0 0 "[ . 1 . 2]" 1
77 1 9 ILE MG 1 62 ILE HA . . 4.530 3.834 3.191 4.532 0.002 11 0 "[ . 1 . 2]" 1
78 1 10 VAL H 1 10 VAL HB . . 3.350 2.564 2.193 2.724 . 0 0 "[ . 1 . 2]" 1
79 1 10 VAL H 1 10 VAL QG . . 3.240 2.127 1.912 2.493 . 0 0 "[ . 1 . 2]" 1
80 1 10 VAL H 1 11 LEU H . . 4.610 4.465 4.160 4.602 . 0 0 "[ . 1 . 2]" 1
81 1 10 VAL H 1 28 GLU H . . 4.350 2.786 2.436 3.232 . 0 0 "[ . 1 . 2]" 1
82 1 10 VAL H 1 29 ASN H . . 5.470 4.511 4.237 4.765 . 0 0 "[ . 1 . 2]" 1
83 1 10 VAL H 1 29 ASN HA . . 4.240 3.321 2.849 3.797 . 0 0 "[ . 1 . 2]" 1
84 1 10 VAL H 1 60 VAL MG1 . . 4.440 4.165 3.672 4.468 0.028 20 0 "[ . 1 . 2]" 1
85 1 10 VAL HA 1 11 LEU H . . 3.440 2.200 2.182 2.269 . 0 0 "[ . 1 . 2]" 1
86 1 10 VAL HA 1 12 TYR H . . 3.840 3.433 3.263 3.750 . 0 0 "[ . 1 . 2]" 1
87 1 10 VAL HA 1 28 GLU H . . 4.690 4.172 3.976 4.478 . 0 0 "[ . 1 . 2]" 1
88 1 10 VAL HA 1 60 VAL HA . . 3.540 2.151 1.997 2.488 . 0 0 "[ . 1 . 2]" 1
89 1 10 VAL HA 1 60 VAL HB . . 4.320 3.551 2.821 4.060 . 0 0 "[ . 1 . 2]" 1
90 1 10 VAL HA 1 60 VAL MG1 . . 3.450 2.336 1.973 2.827 . 0 0 "[ . 1 . 2]" 1
91 1 10 VAL HA 1 60 VAL MG2 . . 4.860 4.568 4.239 4.822 . 0 0 "[ . 1 . 2]" 1
92 1 10 VAL HA 1 61 SER H . . 4.260 3.699 3.361 4.024 . 0 0 "[ . 1 . 2]" 1
93 1 10 VAL HB 1 11 LEU H . . 4.810 4.225 3.953 4.581 . 0 0 "[ . 1 . 2]" 1
94 1 10 VAL HB 1 12 TYR H . . 4.250 3.993 3.519 4.335 0.085 20 0 "[ . 1 . 2]" 1
95 1 10 VAL HB 1 24 THR MG . . 4.150 3.051 2.647 3.521 . 0 0 "[ . 1 . 2]" 1
96 1 10 VAL HB 1 26 VAL HA . . 4.570 3.849 3.433 4.476 . 0 0 "[ . 1 . 2]" 1
97 1 10 VAL HB 1 27 GLY H . . 4.980 4.067 3.048 4.826 . 0 0 "[ . 1 . 2]" 1
98 1 10 VAL HB 1 28 GLU H . . 3.390 2.284 1.965 2.693 . 0 0 "[ . 1 . 2]" 1
99 1 10 VAL QG 1 11 LEU H . . 3.510 2.748 2.483 3.279 . 0 0 "[ . 1 . 2]" 1
100 1 10 VAL QG 1 12 TYR H . . 3.130 2.024 1.876 2.259 . 0 0 "[ . 1 . 2]" 1
101 1 10 VAL QG 1 12 TYR HA . . 4.600 4.057 3.734 4.290 . 0 0 "[ . 1 . 2]" 1
102 1 10 VAL QG 1 24 THR HB . . 3.780 2.539 2.033 3.052 . 0 0 "[ . 1 . 2]" 1
103 1 10 VAL QG 1 25 TYR H . . 4.470 3.046 2.384 3.626 . 0 0 "[ . 1 . 2]" 1
104 1 10 VAL QG 1 26 VAL HA . . 3.410 2.874 2.017 3.412 0.002 9 0 "[ . 1 . 2]" 1
105 1 10 VAL QG 1 27 GLY H . . 4.780 3.778 2.419 4.441 . 0 0 "[ . 1 . 2]" 1
106 1 10 VAL QG 1 28 GLU H . . 3.660 3.119 2.800 3.507 . 0 0 "[ . 1 . 2]" 1
107 1 10 VAL QG 1 29 ASN H . . 5.440 4.223 3.530 4.918 . 0 0 "[ . 1 . 2]" 1
108 1 10 VAL QG 1 29 ASN HD21 . . 5.440 5.142 4.465 5.443 0.003 16 0 "[ . 1 . 2]" 1
109 1 10 VAL QG 1 60 VAL HA . . 3.640 3.234 2.974 3.672 0.032 6 0 "[ . 1 . 2]" 1
110 1 10 VAL MG1 1 24 THR HB . . 5.150 2.656 2.225 3.187 . 0 0 "[ . 1 . 2]" 1
111 1 10 VAL MG1 1 28 GLU H . . 4.380 3.619 2.878 3.989 . 0 0 "[ . 1 . 2]" 1
112 1 10 VAL MG1 1 60 VAL HA . . 4.310 3.613 3.139 4.167 . 0 0 "[ . 1 . 2]" 1
113 1 10 VAL MG2 1 24 THR HB . . 5.150 3.391 2.176 4.285 . 0 0 "[ . 1 . 2]" 1
114 1 10 VAL MG2 1 28 GLU H . . 4.380 3.525 3.107 4.132 . 0 0 "[ . 1 . 2]" 1
115 1 10 VAL MG2 1 60 VAL HA . . 4.310 3.698 3.234 4.313 0.003 6 0 "[ . 1 . 2]" 1
116 1 11 LEU H 1 11 LEU MD1 . . 4.100 3.083 1.874 4.100 . 0 0 "[ . 1 . 2]" 1
117 1 11 LEU H 1 11 LEU QD . . 3.400 2.352 1.868 3.171 . 0 0 "[ . 1 . 2]" 1
118 1 11 LEU H 1 11 LEU MD2 . . 4.100 3.064 1.957 4.077 . 0 0 "[ . 1 . 2]" 1
119 1 11 LEU H 1 11 LEU HG . . 3.880 2.261 1.950 3.676 . 0 0 "[ . 1 . 2]" 1
120 1 11 LEU H 1 12 TYR H . . 3.460 2.299 1.947 3.009 . 0 0 "[ . 1 . 2]" 1
121 1 11 LEU H 1 26 VAL QG . . 5.440 4.813 4.394 5.466 0.026 14 0 "[ . 1 . 2]" 1
122 1 11 LEU H 1 60 VAL HA . . 3.650 2.759 2.208 3.173 . 0 0 "[ . 1 . 2]" 1
123 1 11 LEU H 1 60 VAL HB . . 5.500 5.018 4.248 5.503 0.003 20 0 "[ . 1 . 2]" 1
124 1 11 LEU H 1 60 VAL MG1 . . 4.000 3.752 3.209 4.009 0.009 14 0 "[ . 1 . 2]" 1
125 1 11 LEU H 1 61 SER H . . 5.200 4.250 3.344 4.635 . 0 0 "[ . 1 . 2]" 1
126 1 11 LEU HA 1 11 LEU MD1 . . 4.280 3.854 2.433 4.144 . 0 0 "[ . 1 . 2]" 1
127 1 11 LEU HA 1 11 LEU QD . . 3.140 2.894 2.105 3.229 0.089 16 0 "[ . 1 . 2]" 1
128 1 11 LEU HA 1 11 LEU MD2 . . 4.280 3.090 2.304 4.103 . 0 0 "[ . 1 . 2]" 1
129 1 11 LEU HA 1 11 LEU HG . . 4.170 3.346 2.736 3.788 . 0 0 "[ . 1 . 2]" 1
130 1 11 LEU HB3 1 12 TYR H . . 4.800 4.536 3.924 4.720 . 0 0 "[ . 1 . 2]" 1
131 1 11 LEU QD 1 12 TYR H . . 4.390 3.825 2.978 4.345 . 0 0 "[ . 1 . 2]" 1
132 1 11 LEU QD 1 12 TYR QD . . 3.970 2.971 1.786 3.974 0.004 6 0 "[ . 1 . 2]" 1
133 1 11 LEU QD 1 12 TYR QE . . 3.870 2.505 1.789 3.819 . 0 0 "[ . 1 . 2]" 1
134 1 11 LEU QD 1 59 PHE HA . . 4.040 3.778 2.879 4.058 0.018 19 0 "[ . 1 . 2]" 1
135 1 11 LEU QD 1 60 VAL H . . 4.290 3.484 2.779 3.849 . 0 0 "[ . 1 . 2]" 1
136 1 11 LEU QD 1 60 VAL HA . . 3.790 2.616 1.871 3.655 . 0 0 "[ . 1 . 2]" 1
137 1 11 LEU QD 1 61 SER H . . 3.740 2.653 2.103 3.347 . 0 0 "[ . 1 . 2]" 1
138 1 11 LEU QD 1 61 SER HA . . 3.480 3.437 3.292 3.508 0.028 10 0 "[ . 1 . 2]" 1
139 1 11 LEU MD1 1 12 TYR QD . . 5.160 3.083 1.788 4.893 . 0 0 "[ . 1 . 2]" 1
140 1 11 LEU MD1 1 60 VAL HA . . 4.440 3.555 1.898 4.680 0.240 6 0 "[ . 1 . 2]" 1
141 1 11 LEU MD1 1 61 SER H . . 4.890 3.664 2.206 4.738 . 0 0 "[ . 1 . 2]" 1
142 1 11 LEU MD1 1 61 SER HA . . 4.790 4.007 3.375 4.804 0.014 6 0 "[ . 1 . 2]" 1
143 1 11 LEU MD2 1 12 TYR QD . . 5.160 4.402 3.623 5.169 0.009 14 0 "[ . 1 . 2]" 1
144 1 11 LEU MD2 1 60 VAL HA . . 4.440 3.545 1.872 4.453 0.013 13 0 "[ . 1 . 2]" 1
145 1 11 LEU MD2 1 61 SER H . . 4.890 3.186 2.108 4.390 . 0 0 "[ . 1 . 2]" 1
146 1 11 LEU MD2 1 61 SER HA . . 4.790 4.149 3.465 4.802 0.012 17 0 "[ . 1 . 2]" 1
147 1 11 LEU HG 1 60 VAL HA . . 3.870 3.383 2.903 3.876 0.006 6 0 "[ . 1 . 2]" 1
148 1 12 TYR H 1 12 TYR QD . . 4.120 3.250 2.401 4.060 . 0 0 "[ . 1 . 2]" 1
149 1 12 TYR H 1 13 ASP H . . 4.480 4.316 4.101 4.473 . 0 0 "[ . 1 . 2]" 1
150 1 12 TYR H 1 26 VAL HB . . 5.500 4.266 3.571 5.508 0.008 5 0 "[ . 1 . 2]" 1
151 1 12 TYR H 1 26 VAL QG . . 4.150 3.667 3.015 4.189 0.039 6 0 "[ . 1 . 2]" 1
152 1 12 TYR H 1 60 VAL HA . . 4.890 4.567 4.131 4.897 0.007 11 0 "[ . 1 . 2]" 1
153 1 12 TYR HA 1 12 TYR QD . . 3.830 2.820 2.289 3.173 . 0 0 "[ . 1 . 2]" 1
154 1 12 TYR HA 1 13 ASP H . . 2.760 2.310 2.209 2.743 . 0 0 "[ . 1 . 2]" 1
155 1 12 TYR HA 1 13 ASP HB3 . . 4.930 4.600 4.314 4.894 . 0 0 "[ . 1 . 2]" 1
156 1 12 TYR HA 1 26 VAL H . . 4.860 4.440 4.040 4.873 0.013 13 0 "[ . 1 . 2]" 1
157 1 12 TYR HA 1 26 VAL MG1 . . 4.140 3.442 2.149 4.019 . 0 0 "[ . 1 . 2]" 1
158 1 12 TYR HA 1 26 VAL QG . . 3.020 2.428 1.826 2.918 . 0 0 "[ . 1 . 2]" 1
159 1 12 TYR HA 1 26 VAL MG2 . . 4.140 2.717 1.973 4.168 0.028 12 0 "[ . 1 . 2]" 1
160 1 12 TYR HB3 1 13 ASP H . . 3.520 3.028 2.239 3.387 . 0 0 "[ . 1 . 2]" 1
161 1 12 TYR HB3 1 13 ASP HA . . 5.040 4.872 4.714 5.049 0.009 8 0 "[ . 1 . 2]" 1
162 1 12 TYR QD 1 13 ASP H . . 4.270 3.995 3.398 4.280 0.010 6 0 "[ . 1 . 2]" 1
163 1 12 TYR QD 1 26 VAL QG . . 4.310 3.812 2.866 4.177 . 0 0 "[ . 1 . 2]" 1
164 1 12 TYR QD 1 59 PHE H . . 4.800 4.695 4.447 4.820 0.020 6 0 "[ . 1 . 2]" 1
165 1 12 TYR QE 1 59 PHE HA . . 4.220 3.951 2.715 4.249 0.029 10 0 "[ . 1 . 2]" 1
166 1 13 ASP H 1 13 ASP HB3 . . 3.190 2.340 2.133 2.569 . 0 0 "[ . 1 . 2]" 1
167 1 13 ASP H 1 25 TYR HA . . 4.800 4.635 4.273 4.805 0.005 19 0 "[ . 1 . 2]" 1
168 1 13 ASP H 1 26 VAL H . . 4.120 3.509 2.850 4.148 0.028 14 0 "[ . 1 . 2]" 1
169 1 13 ASP H 1 26 VAL HA . . 4.300 3.487 2.851 3.974 . 0 0 "[ . 1 . 2]" 1
170 1 13 ASP H 1 26 VAL HB . . 4.380 2.570 1.943 4.385 0.005 9 0 "[ . 1 . 2]" 1
171 1 13 ASP H 1 26 VAL QG . . 2.950 2.670 1.725 2.972 0.022 6 0 "[ . 1 . 2]" 1
172 1 13 ASP HA 1 14 PHE H . . 3.150 2.288 2.254 2.480 . 0 0 "[ . 1 . 2]" 1
173 1 13 ASP HA 1 24 THR H . . 4.900 4.590 4.204 4.908 0.008 5 0 "[ . 1 . 2]" 1
174 1 13 ASP HA 1 25 TYR HA . . 3.540 2.424 1.998 2.691 . 0 0 "[ . 1 . 2]" 1
175 1 13 ASP HA 1 25 TYR QD . . 5.300 5.065 4.724 5.282 . 0 0 "[ . 1 . 2]" 1
176 1 13 ASP HA 1 26 VAL H . . 3.890 2.782 2.233 3.382 . 0 0 "[ . 1 . 2]" 1
177 1 13 ASP HA 1 26 VAL HA . . 4.220 3.456 3.031 3.879 . 0 0 "[ . 1 . 2]" 1
178 1 13 ASP HA 1 26 VAL HB . . 5.290 4.012 3.466 5.316 0.026 14 0 "[ . 1 . 2]" 1
179 1 13 ASP HA 1 26 VAL QG . . 3.570 3.403 2.756 3.651 0.081 19 0 "[ . 1 . 2]" 1
180 1 13 ASP HB3 1 14 PHE H . . 4.760 4.452 3.967 4.631 . 0 0 "[ . 1 . 2]" 1
181 1 14 PHE H 1 14 PHE QD . . 4.220 4.015 3.783 4.173 . 0 0 "[ . 1 . 2]" 1
182 1 14 PHE H 1 15 LYS H . . 4.820 4.569 4.405 4.639 . 0 0 "[ . 1 . 2]" 1
183 1 14 PHE H 1 24 THR H . . 3.960 3.139 2.306 3.639 . 0 0 "[ . 1 . 2]" 1
184 1 14 PHE H 1 25 TYR HA . . 4.340 3.946 3.196 4.345 0.005 19 0 "[ . 1 . 2]" 1
185 1 14 PHE H 1 26 VAL H . . 5.500 4.979 4.395 5.567 0.067 12 0 "[ . 1 . 2]" 1
186 1 14 PHE HA 1 15 LYS H . . 2.930 2.268 2.196 2.405 . 0 0 "[ . 1 . 2]" 1
187 1 14 PHE QD 1 15 LYS H . . 3.580 2.280 1.941 3.121 . 0 0 "[ . 1 . 2]" 1
188 1 14 PHE QD 1 24 THR H . . 4.780 3.523 2.106 4.722 . 0 0 "[ . 1 . 2]" 1
189 1 14 PHE QD 1 55 VAL HB . . 5.480 3.418 2.655 5.102 . 0 0 "[ . 1 . 2]" 1
190 1 14 PHE QD 1 55 VAL MG1 . . 4.340 3.639 2.212 4.429 0.089 12 0 "[ . 1 . 2]" 1
191 1 14 PHE QD 1 55 VAL QG . . 3.560 2.951 1.963 3.567 0.007 18 0 "[ . 1 . 2]" 1
192 1 14 PHE QD 1 55 VAL MG2 . . 4.340 3.498 1.966 4.391 0.051 5 0 "[ . 1 . 2]" 1
193 1 14 PHE QD 1 56 PRO HG3 . . 4.730 3.419 2.291 4.738 0.008 4 0 "[ . 1 . 2]" 1
194 1 14 PHE QE 1 56 PRO HG3 . . 4.470 3.333 2.447 4.083 . 0 0 "[ . 1 . 2]" 1
195 1 14 PHE HZ 1 16 ALA HA . . 3.890 3.245 2.207 3.798 . 0 0 "[ . 1 . 2]" 1
196 1 14 PHE HZ 1 16 ALA MB . . 4.920 4.386 3.347 4.932 0.012 6 0 "[ . 1 . 2]" 1
197 1 14 PHE HZ 1 17 GLU H . . 4.120 3.690 2.587 4.143 0.023 5 0 "[ . 1 . 2]" 1
198 1 14 PHE HZ 1 22 LEU H . . 4.810 4.009 2.563 4.818 0.008 6 0 "[ . 1 . 2]" 1
199 1 15 LYS H 1 15 LYS HG3 . . 4.200 3.630 3.203 4.002 . 0 0 "[ . 1 . 2]" 1
200 1 15 LYS H 1 16 ALA H . . 4.700 4.349 4.080 4.566 . 0 0 "[ . 1 . 2]" 1
201 1 15 LYS HA 1 15 LYS HG3 . . 4.020 3.514 2.276 4.164 0.144 8 0 "[ . 1 . 2]" 1
202 1 15 LYS HA 1 16 ALA H . . 2.910 2.223 2.176 2.374 . 0 0 "[ . 1 . 2]" 1
203 1 15 LYS HA 1 16 ALA HA . . 4.610 4.370 4.322 4.466 . 0 0 "[ . 1 . 2]" 1
204 1 15 LYS HA 1 16 ALA MB . . 4.130 3.884 3.825 3.967 . 0 0 "[ . 1 . 2]" 1
205 1 15 LYS HA 1 23 THR HA . . 3.520 3.325 2.673 3.558 0.038 17 0 "[ . 1 . 2]" 1
206 1 15 LYS HA 1 24 THR H . . 4.560 4.019 3.477 4.556 . 0 0 "[ . 1 . 2]" 1
207 1 15 LYS HB3 1 16 ALA H . . 4.620 3.627 2.775 4.478 . 0 0 "[ . 1 . 2]" 1
208 1 16 ALA H 1 16 ALA MB . . 2.950 2.046 1.933 2.233 . 0 0 "[ . 1 . 2]" 1
209 1 16 ALA H 1 17 GLU H . . 4.690 4.539 4.447 4.635 . 0 0 "[ . 1 . 2]" 1
210 1 16 ALA H 1 22 LEU H . . 5.500 5.313 4.813 5.525 0.025 5 0 "[ . 1 . 2]" 1
211 1 16 ALA H 1 23 THR HA . . 3.480 2.869 2.170 3.490 0.010 17 0 "[ . 1 . 2]" 1
212 1 16 ALA H 1 23 THR HB . . 4.180 3.008 1.945 4.199 0.019 12 0 "[ . 1 . 2]" 1
213 1 16 ALA HA 1 17 GLU H . . 2.900 2.201 2.186 2.261 . 0 0 "[ . 1 . 2]" 1
214 1 16 ALA HA 1 17 GLU HA . . 4.520 4.348 4.339 4.380 . 0 0 "[ . 1 . 2]" 1
215 1 16 ALA HA 1 17 GLU HB3 . . 4.350 4.328 4.227 4.362 0.012 14 0 "[ . 1 . 2]" 1
216 1 16 ALA HA 1 18 LYS H . . 4.060 3.775 3.603 4.003 . 0 0 "[ . 1 . 2]" 1
217 1 16 ALA HA 1 21 GLU HA . . 5.120 4.736 4.526 5.001 . 0 0 "[ . 1 . 2]" 1
218 1 16 ALA HA 1 21 GLU HB3 . . 3.730 2.747 2.055 3.540 . 0 0 "[ . 1 . 2]" 1
219 1 16 ALA HA 1 22 LEU H . . 4.530 3.694 3.056 4.530 0.000 2 0 "[ . 1 . 2]" 1
220 1 16 ALA HA 1 22 LEU HA . . 5.150 4.862 4.031 5.228 0.078 17 0 "[ . 1 . 2]" 1
221 1 16 ALA MB 1 17 GLU H . . 3.280 3.247 2.998 3.324 0.044 14 0 "[ . 1 . 2]" 1
222 1 16 ALA MB 1 17 GLU HA . . 4.350 4.068 3.981 4.188 . 0 0 "[ . 1 . 2]" 1
223 1 16 ALA MB 1 17 GLU HB3 . . 5.500 5.065 4.916 5.160 . 0 0 "[ . 1 . 2]" 1
224 1 16 ALA MB 1 18 LYS H . . 4.440 4.132 3.794 4.308 . 0 0 "[ . 1 . 2]" 1
225 1 16 ALA MB 1 21 GLU H . . 4.070 3.931 3.394 4.098 0.028 10 0 "[ . 1 . 2]" 1
226 1 16 ALA MB 1 21 GLU HA . . 3.980 3.897 3.421 4.072 0.092 17 0 "[ . 1 . 2]" 1
227 1 16 ALA MB 1 21 GLU HB3 . . 3.570 2.641 1.903 3.521 . 0 0 "[ . 1 . 2]" 1
228 1 16 ALA MB 1 22 LEU H . . 3.830 2.789 2.410 3.389 . 0 0 "[ . 1 . 2]" 1
229 1 16 ALA MB 1 23 THR HB . . 3.940 2.555 1.957 3.370 . 0 0 "[ . 1 . 2]" 1
230 1 17 GLU H 1 17 GLU HB3 . . 3.300 2.874 2.694 3.043 . 0 0 "[ . 1 . 2]" 1
231 1 17 GLU H 1 17 GLU HG3 . . 3.760 3.522 3.412 3.673 . 0 0 "[ . 1 . 2]" 1
232 1 17 GLU H 1 18 LYS H . . 2.900 1.869 1.749 2.076 . 0 0 "[ . 1 . 2]" 1
233 1 17 GLU H 1 18 LYS HA . . 4.730 4.522 4.406 4.721 . 0 0 "[ . 1 . 2]" 1
234 1 17 GLU H 1 21 GLU HA . . 5.260 5.022 4.579 5.276 0.016 5 0 "[ . 1 . 2]" 1
235 1 17 GLU HA 1 17 GLU HG3 . . 3.870 3.662 3.624 3.722 . 0 0 "[ . 1 . 2]" 1
236 1 17 GLU HA 1 18 LYS H . . 3.640 3.578 3.539 3.616 . 0 0 "[ . 1 . 2]" 1
237 1 17 GLU HB3 1 18 LYS H . . 4.290 3.834 3.706 3.952 . 0 0 "[ . 1 . 2]" 1
238 1 17 GLU HG3 1 18 LYS H . . 3.290 2.736 2.387 3.153 . 0 0 "[ . 1 . 2]" 1
239 1 17 GLU HG3 1 18 LYS HA . . 3.540 3.062 2.932 3.220 . 0 0 "[ . 1 . 2]" 1
240 1 18 LYS H 1 18 LYS HB3 . . 3.510 2.955 2.779 3.339 . 0 0 "[ . 1 . 2]" 1
241 1 18 LYS H 1 21 GLU HA . . 4.950 4.628 4.475 4.929 . 0 0 "[ . 1 . 2]" 1
242 1 18 LYS HA 1 19 ALA H . . 3.460 2.698 2.356 2.871 . 0 0 "[ . 1 . 2]" 1
243 1 18 LYS HA 1 19 ALA HA . . 4.480 4.322 4.276 4.349 . 0 0 "[ . 1 . 2]" 1
244 1 18 LYS HA 1 19 ALA MB . . 4.380 4.097 4.008 4.182 . 0 0 "[ . 1 . 2]" 1
245 1 18 LYS HB3 1 19 ALA H . . 4.560 2.677 1.931 3.462 . 0 0 "[ . 1 . 2]" 1
246 1 18 LYS HB3 1 21 GLU HA . . 5.340 3.628 3.111 4.496 . 0 0 "[ . 1 . 2]" 1
247 1 19 ALA H 1 19 ALA MB . . 3.230 2.097 1.948 2.245 . 0 0 "[ . 1 . 2]" 1
248 1 19 ALA H 1 20 ASP H . . 3.950 2.331 2.174 2.646 . 0 0 "[ . 1 . 2]" 1
249 1 19 ALA HA 1 21 GLU H . . 4.150 3.858 3.632 4.025 . 0 0 "[ . 1 . 2]" 1
250 1 19 ALA MB 1 20 ASP H . . 3.350 2.830 2.366 3.151 . 0 0 "[ . 1 . 2]" 1
251 1 19 ALA MB 1 20 ASP HA . . 4.210 3.991 3.874 4.122 . 0 0 "[ . 1 . 2]" 1
252 1 19 ALA MB 1 20 ASP HB3 . . 5.220 4.898 4.540 5.254 0.034 1 0 "[ . 1 . 2]" 1
253 1 19 ALA MB 1 21 GLU H . . 4.680 4.346 4.189 4.531 . 0 0 "[ . 1 . 2]" 1
254 1 20 ASP H 1 20 ASP HB3 . . 3.760 3.078 2.717 3.453 . 0 0 "[ . 1 . 2]" 1
255 1 20 ASP H 1 21 GLU H . . 3.100 2.500 2.098 2.806 . 0 0 "[ . 1 . 2]" 1
256 1 20 ASP H 1 21 GLU HA . . 4.700 4.385 4.153 4.712 0.012 15 0 "[ . 1 . 2]" 1
257 1 20 ASP H 1 54 LEU QD . . 4.780 3.979 3.463 4.560 . 0 0 "[ . 1 . 2]" 1
258 1 20 ASP HA 1 21 GLU H . . 3.650 3.077 3.000 3.431 . 0 0 "[ . 1 . 2]" 1
259 1 20 ASP HB3 1 21 GLU H . . 4.680 4.090 3.558 4.237 . 0 0 "[ . 1 . 2]" 1
260 1 20 ASP HB3 1 54 LEU QD . . 3.680 3.053 2.264 3.688 0.008 13 0 "[ . 1 . 2]" 1
261 1 21 GLU H 1 21 GLU HB3 . . 3.710 2.950 2.746 3.463 . 0 0 "[ . 1 . 2]" 1
262 1 21 GLU H 1 22 LEU H . . 4.800 4.585 4.534 4.641 . 0 0 "[ . 1 . 2]" 1
263 1 21 GLU H 1 22 LEU QD . . 5.150 4.572 3.743 4.992 . 0 0 "[ . 1 . 2]" 1
264 1 21 GLU H 1 54 LEU QD . . 4.590 4.387 3.932 4.625 0.035 19 0 "[ . 1 . 2]" 1
265 1 21 GLU HA 1 22 LEU H . . 3.480 2.525 2.252 2.736 . 0 0 "[ . 1 . 2]" 1
266 1 21 GLU HA 1 22 LEU QD . . 4.330 3.992 2.934 4.401 0.071 14 0 "[ . 1 . 2]" 1
267 1 21 GLU HA 1 53 GLY HA2 . . 4.260 3.513 2.834 4.224 . 0 0 "[ . 1 . 2]" 1
268 1 21 GLU HA 1 53 GLY HA3 . . 4.400 3.928 3.206 4.426 0.026 13 0 "[ . 1 . 2]" 1
269 1 21 GLU HA 1 54 LEU H . . 3.730 2.258 1.947 2.643 . 0 0 "[ . 1 . 2]" 1
270 1 21 GLU HA 1 54 LEU HA . . 5.100 4.909 4.533 5.146 0.046 16 0 "[ . 1 . 2]" 1
271 1 21 GLU HA 1 54 LEU HB3 . . 4.850 4.705 3.934 4.903 0.053 5 0 "[ . 1 . 2]" 1
272 1 21 GLU HA 1 54 LEU QD . . 3.860 3.282 2.385 3.717 . 0 0 "[ . 1 . 2]" 1
273 1 22 LEU H 1 22 LEU HB3 . . 3.860 3.514 3.162 3.815 . 0 0 "[ . 1 . 2]" 1
274 1 22 LEU H 1 22 LEU MD1 . . 5.260 4.303 2.895 4.692 . 0 0 "[ . 1 . 2]" 1
275 1 22 LEU H 1 22 LEU QD . . 4.200 3.481 2.844 3.890 . 0 0 "[ . 1 . 2]" 1
276 1 22 LEU H 1 22 LEU MD2 . . 5.260 3.856 2.889 4.848 . 0 0 "[ . 1 . 2]" 1
277 1 22 LEU H 1 53 GLY HA3 . . 4.230 3.549 2.265 4.231 0.001 11 0 "[ . 1 . 2]" 1
278 1 22 LEU H 1 54 LEU H . . 3.270 2.989 2.502 3.298 0.028 20 0 "[ . 1 . 2]" 1
279 1 22 LEU H 1 54 LEU HA . . 5.500 5.345 4.942 5.552 0.052 8 0 "[ . 1 . 2]" 1
280 1 22 LEU H 1 54 LEU QD . . 5.440 4.991 4.441 5.463 0.023 11 0 "[ . 1 . 2]" 1
281 1 22 LEU HA 1 22 LEU MD1 . . 4.120 2.936 1.929 3.783 . 0 0 "[ . 1 . 2]" 1
282 1 22 LEU HA 1 22 LEU QD . . 3.440 2.033 1.840 2.834 . 0 0 "[ . 1 . 2]" 1
283 1 22 LEU HA 1 22 LEU MD2 . . 4.120 2.421 1.845 3.787 . 0 0 "[ . 1 . 2]" 1
284 1 22 LEU HA 1 23 THR H . . 2.840 2.295 2.178 2.426 . 0 0 "[ . 1 . 2]" 1
285 1 22 LEU HA 1 23 THR HB . . 4.420 4.221 4.100 4.388 . 0 0 "[ . 1 . 2]" 1
286 1 22 LEU HA 1 53 GLY HA3 . . 5.400 4.252 3.601 4.751 . 0 0 "[ . 1 . 2]" 1
287 1 22 LEU HB3 1 53 GLY HA3 . . 4.380 3.325 1.987 4.421 0.041 14 0 "[ . 1 . 2]" 1
288 1 22 LEU QD 1 23 THR H . . 3.720 2.849 1.974 3.733 0.013 16 0 "[ . 1 . 2]" 1
289 1 22 LEU QD 1 44 LYS H . . 5.440 4.801 3.561 5.462 0.022 5 0 "[ . 1 . 2]" 1
290 1 22 LEU QD 1 44 LYS HA . . 4.150 3.377 2.481 4.049 . 0 0 "[ . 1 . 2]" 1
291 1 22 LEU QD 1 50 GLY QA . . 3.850 3.120 1.753 3.854 0.004 7 0 "[ . 1 . 2]" 1
292 1 22 LEU QD 1 51 GLY H . . 3.670 2.679 1.849 3.677 0.007 5 0 "[ . 1 . 2]" 1
293 1 22 LEU QD 1 51 GLY QA . . 3.030 2.029 1.792 2.752 . 0 0 "[ . 1 . 2]" 1
294 1 22 LEU QD 1 52 PRO HA . . 4.730 3.315 2.407 4.696 . 0 0 "[ . 1 . 2]" 1
295 1 22 LEU QD 1 53 GLY H . . 4.520 2.942 2.029 4.250 . 0 0 "[ . 1 . 2]" 1
296 1 22 LEU QD 1 53 GLY HA3 . . 4.250 2.279 1.823 3.506 . 0 0 "[ . 1 . 2]" 1
297 1 22 LEU MD1 1 23 THR H . . 4.720 3.635 1.981 4.769 0.049 12 0 "[ . 1 . 2]" 1
298 1 22 LEU MD1 1 53 GLY H . . 5.440 3.784 2.031 5.449 0.009 5 0 "[ . 1 . 2]" 1
299 1 22 LEU MD2 1 23 THR H . . 4.720 3.549 2.719 4.735 0.015 16 0 "[ . 1 . 2]" 1
300 1 22 LEU MD2 1 53 GLY H . . 5.440 4.046 2.257 5.346 . 0 0 "[ . 1 . 2]" 1
301 1 23 THR H 1 23 THR HB . . 2.950 2.446 2.032 2.920 . 0 0 "[ . 1 . 2]" 1
302 1 23 THR H 1 24 THR H . . 4.720 4.559 4.342 4.650 . 0 0 "[ . 1 . 2]" 1
303 1 23 THR HA 1 23 THR MG . . 3.310 3.080 2.574 3.233 . 0 0 "[ . 1 . 2]" 1
304 1 23 THR HA 1 24 THR H . . 3.260 2.244 2.150 2.344 . 0 0 "[ . 1 . 2]" 1
305 1 23 THR HB 1 24 THR H . . 4.500 4.303 4.045 4.529 0.029 12 0 "[ . 1 . 2]" 1
306 1 23 THR MG 1 24 THR H . . 4.050 3.335 2.138 4.059 0.009 7 0 "[ . 1 . 2]" 1
307 1 24 THR H 1 24 THR MG . . 4.060 3.904 3.746 4.024 . 0 0 "[ . 1 . 2]" 1
308 1 24 THR HA 1 25 TYR QD . . 4.180 2.526 2.279 3.393 . 0 0 "[ . 1 . 2]" 1
309 1 24 THR HB 1 25 TYR H . . 3.670 2.847 2.656 3.105 . 0 0 "[ . 1 . 2]" 1
310 1 24 THR MG 1 25 TYR H . . 4.540 1.881 1.833 1.950 . 0 0 "[ . 1 . 2]" 1
311 1 24 THR MG 1 25 TYR QD . . 4.170 2.928 2.778 3.160 . 0 0 "[ . 1 . 2]" 1
312 1 24 THR MG 1 25 TYR QE . . 4.630 4.505 4.303 4.635 0.005 17 0 "[ . 1 . 2]" 1
313 1 24 THR MG 1 29 ASN H . . 5.500 5.159 4.377 5.527 0.027 19 0 "[ . 1 . 2]" 1
314 1 25 TYR H 1 26 VAL H . . 4.490 4.396 4.280 4.507 0.017 20 0 "[ . 1 . 2]" 1
315 1 25 TYR HA 1 25 TYR QD . . 3.840 3.197 2.859 3.281 . 0 0 "[ . 1 . 2]" 1
316 1 25 TYR HA 1 26 VAL H . . 3.230 2.333 2.219 2.644 . 0 0 "[ . 1 . 2]" 1
317 1 25 TYR HA 1 26 VAL HA . . 4.440 4.305 4.279 4.350 . 0 0 "[ . 1 . 2]" 1
318 1 25 TYR HA 1 26 VAL HB . . 5.440 4.890 4.624 5.609 0.169 14 0 "[ . 1 . 2]" 1
319 1 25 TYR HA 1 26 VAL QG . . 4.240 3.474 3.168 3.736 . 0 0 "[ . 1 . 2]" 1
320 1 25 TYR HB3 1 26 VAL H . . 3.740 2.951 2.200 3.322 . 0 0 "[ . 1 . 2]" 1
321 1 25 TYR QD 1 26 VAL H . . 4.480 4.261 3.740 4.487 0.007 16 0 "[ . 1 . 2]" 1
322 1 26 VAL H 1 26 VAL HB . . 3.590 2.800 2.455 3.484 . 0 0 "[ . 1 . 2]" 1
323 1 26 VAL H 1 26 VAL MG1 . . 3.720 2.056 1.821 3.720 . 0 0 "[ . 1 . 2]" 1
324 1 26 VAL H 1 26 VAL QG . . 2.980 1.872 1.799 2.037 . 0 0 "[ . 1 . 2]" 1
325 1 26 VAL H 1 26 VAL MG2 . . 3.720 3.340 1.922 3.685 . 0 0 "[ . 1 . 2]" 1
326 1 26 VAL HA 1 26 VAL MG1 . . 3.180 3.003 2.266 3.196 0.016 2 0 "[ . 1 . 2]" 1
327 1 26 VAL HA 1 26 VAL MG2 . . 3.180 2.605 2.445 3.161 . 0 0 "[ . 1 . 2]" 1
328 1 26 VAL HA 1 27 GLY H . . 3.300 2.358 2.188 2.482 . 0 0 "[ . 1 . 2]" 1
329 1 26 VAL HA 1 27 GLY HA2 . . 4.690 4.443 4.358 4.495 . 0 0 "[ . 1 . 2]" 1
330 1 26 VAL HA 1 27 GLY HA3 . . 4.690 4.568 4.397 4.658 . 0 0 "[ . 1 . 2]" 1
331 1 26 VAL HA 1 28 GLU H . . 4.520 3.948 3.485 4.301 . 0 0 "[ . 1 . 2]" 1
332 1 26 VAL QG 1 27 GLY H . . 3.640 2.177 1.843 2.991 . 0 0 "[ . 1 . 2]" 1
333 1 26 VAL QG 1 27 GLY QA . . 3.240 2.876 2.680 3.190 . 0 0 "[ . 1 . 2]" 1
334 1 27 GLY H 1 28 GLU H . . 4.000 2.991 2.285 3.347 . 0 0 "[ . 1 . 2]" 1
335 1 28 GLU H 1 29 ASN H . . 4.730 4.493 4.448 4.550 . 0 0 "[ . 1 . 2]" 1
336 1 28 GLU HA 1 29 ASN H . . 3.430 2.508 2.350 2.650 . 0 0 "[ . 1 . 2]" 1
337 1 28 GLU HB3 1 29 ASN H . . 4.370 3.157 2.319 4.074 . 0 0 "[ . 1 . 2]" 1
338 1 29 ASN HA 1 29 ASN HD21 . . 4.590 2.568 1.944 3.434 . 0 0 "[ . 1 . 2]" 1
339 1 29 ASN HA 1 29 ASN HD22 . . 4.450 3.797 3.240 4.469 0.019 4 0 "[ . 1 . 2]" 1
340 1 30 LEU HA 1 30 LEU MD1 . . 4.240 3.487 2.565 3.982 . 0 0 "[ . 1 . 2]" 1
341 1 30 LEU HA 1 30 LEU QD . . 3.590 3.070 2.092 3.452 . 0 0 "[ . 1 . 2]" 1
342 1 30 LEU HA 1 30 LEU MD2 . . 4.240 3.621 2.102 4.132 . 0 0 "[ . 1 . 2]" 1
343 1 30 LEU QD 1 32 ILE MD . . 4.070 2.789 1.934 4.076 0.006 17 0 "[ . 1 . 2]" 1
344 1 30 LEU QD 1 43 ALA HA . . 5.020 3.188 1.994 3.828 . 0 0 "[ . 1 . 2]" 1
345 1 30 LEU QD 1 43 ALA MB . . 2.980 2.308 1.662 2.989 0.009 12 0 "[ . 1 . 2]" 1
346 1 30 LEU QD 1 44 LYS H . . 4.210 3.175 1.915 4.182 . 0 0 "[ . 1 . 2]" 1
347 1 30 LEU QD 1 55 VAL HB . . 4.780 4.287 3.543 4.840 0.060 20 0 "[ . 1 . 2]" 1
348 1 30 LEU MD1 1 32 ILE MD . . 5.370 3.588 1.939 5.370 . 0 0 "[ . 1 . 2]" 1
349 1 30 LEU MD1 1 44 LYS H . . 5.030 4.270 1.916 5.062 0.032 20 0 "[ . 1 . 2]" 1
350 1 30 LEU MD2 1 32 ILE MD . . 5.370 3.615 2.229 4.819 . 0 0 "[ . 1 . 2]" 1
351 1 30 LEU MD2 1 44 LYS H . . 5.030 3.664 2.337 5.037 0.007 8 0 "[ . 1 . 2]" 1
352 1 32 ILE HB 1 84 LEU QD . . 4.140 2.806 1.953 3.276 . 0 0 "[ . 1 . 2]" 1
353 1 32 ILE MD 1 33 CYS H . . 4.370 3.423 3.104 3.614 . 0 0 "[ . 1 . 2]" 1
354 1 32 ILE MD 1 41 PHE HB3 . . 4.200 1.875 1.767 1.967 . 0 0 "[ . 1 . 2]" 1
355 1 32 ILE MD 1 41 PHE QD . . 4.150 2.945 2.700 3.304 . 0 0 "[ . 1 . 2]" 1
356 1 32 ILE MD 1 42 ILE HA . . 5.030 4.839 4.507 5.046 0.016 10 0 "[ . 1 . 2]" 1
357 1 32 ILE MD 1 43 ALA HA . . 4.260 3.552 2.884 3.886 . 0 0 "[ . 1 . 2]" 1
358 1 32 ILE MD 1 43 ALA MB . . 3.790 3.508 2.536 3.807 0.017 15 0 "[ . 1 . 2]" 1
359 1 32 ILE MD 1 44 LYS H . . 5.500 5.246 4.612 5.522 0.022 19 0 "[ . 1 . 2]" 1
360 1 32 ILE MD 1 55 VAL HB . . 5.270 4.958 4.052 5.285 0.015 20 0 "[ . 1 . 2]" 1
361 1 32 ILE MD 1 55 VAL QG . . 4.200 3.003 2.368 4.171 . 0 0 "[ . 1 . 2]" 1
362 1 32 ILE MD 1 60 VAL HB . . 4.170 3.802 3.403 4.118 . 0 0 "[ . 1 . 2]" 1
363 1 32 ILE MD 1 60 VAL MG1 . . 4.090 3.507 2.880 3.892 . 0 0 "[ . 1 . 2]" 1
364 1 32 ILE MD 1 60 VAL MG2 . . 3.400 2.854 2.498 3.402 0.002 6 0 "[ . 1 . 2]" 1
365 1 32 ILE MD 1 62 ILE MD . . 4.060 3.644 3.004 4.059 . 0 0 "[ . 1 . 2]" 1
366 1 32 ILE MG 1 33 CYS H . . 3.950 2.619 2.025 3.224 . 0 0 "[ . 1 . 2]" 1
367 1 32 ILE MG 1 34 ALA H . . 3.630 2.038 1.818 2.301 . 0 0 "[ . 1 . 2]" 1
368 1 32 ILE MG 1 34 ALA HA . . 4.650 3.233 2.959 3.457 . 0 0 "[ . 1 . 2]" 1
369 1 32 ILE MG 1 35 HIS H . . 4.780 4.224 3.905 4.354 . 0 0 "[ . 1 . 2]" 1
370 1 32 ILE MG 1 35 HIS HA . . 4.900 3.592 3.318 3.711 . 0 0 "[ . 1 . 2]" 1
371 1 32 ILE MG 1 36 HIS H . . 5.500 5.388 5.147 5.505 0.005 10 0 "[ . 1 . 2]" 1
372 1 32 ILE MG 1 41 PHE HA . . 4.220 3.107 2.884 3.454 . 0 0 "[ . 1 . 2]" 1
373 1 32 ILE MG 1 41 PHE HB3 . . 3.850 2.240 1.957 2.708 . 0 0 "[ . 1 . 2]" 1
374 1 32 ILE MG 1 42 ILE H . . 3.950 2.403 1.916 2.987 . 0 0 "[ . 1 . 2]" 1
375 1 32 ILE MG 1 79 ILE HA . . 5.500 5.415 5.002 5.515 0.015 20 0 "[ . 1 . 2]" 1
376 1 32 ILE MG 1 79 ILE MD . . 4.210 4.136 3.855 4.216 0.006 8 0 "[ . 1 . 2]" 1
377 1 32 ILE MG 1 84 LEU MD1 . . 3.920 2.637 1.880 3.410 . 0 0 "[ . 1 . 2]" 1
378 1 32 ILE MG 1 84 LEU QD . . 3.300 1.930 1.721 2.180 . 0 0 "[ . 1 . 2]" 1
379 1 32 ILE MG 1 84 LEU MD2 . . 3.920 2.079 1.749 2.793 . 0 0 "[ . 1 . 2]" 1
380 1 33 CYS H 1 34 ALA H . . 3.670 2.133 1.934 2.413 . 0 0 "[ . 1 . 2]" 1
381 1 33 CYS H 1 42 ILE HA . . 4.610 4.517 4.209 4.617 0.007 14 0 "[ . 1 . 2]" 1
382 1 33 CYS H 1 42 ILE MD . . 5.350 5.125 4.761 5.347 . 0 0 "[ . 1 . 2]" 1
383 1 33 CYS H 1 43 ALA HA . . 4.290 3.762 3.217 4.019 . 0 0 "[ . 1 . 2]" 1
384 1 33 CYS H 1 84 LEU MD1 . . 4.820 4.432 3.724 4.827 0.007 10 0 "[ . 1 . 2]" 1
385 1 33 CYS H 1 84 LEU QD . . 4.050 3.979 3.598 4.062 0.012 6 0 "[ . 1 . 2]" 1
386 1 33 CYS H 1 84 LEU MD2 . . 4.820 4.562 4.238 4.821 0.001 2 0 "[ . 1 . 2]" 1
387 1 34 ALA H 1 34 ALA MB . . 3.550 2.802 2.729 2.893 . 0 0 "[ . 1 . 2]" 1
388 1 34 ALA H 1 41 PHE HB3 . . 4.800 4.380 3.779 4.651 . 0 0 "[ . 1 . 2]" 1
389 1 34 ALA H 1 41 PHE QD . . 5.010 4.642 4.350 5.007 . 0 0 "[ . 1 . 2]" 1
390 1 34 ALA H 1 42 ILE H . . 4.230 2.341 2.149 2.470 . 0 0 "[ . 1 . 2]" 1
391 1 34 ALA H 1 42 ILE HA . . 4.500 4.457 4.326 4.508 0.008 18 0 "[ . 1 . 2]" 1
392 1 34 ALA H 1 42 ILE HB . . 3.910 2.011 1.937 2.224 . 0 0 "[ . 1 . 2]" 1
393 1 34 ALA H 1 42 ILE MD . . 4.530 4.430 3.804 4.574 0.044 10 0 "[ . 1 . 2]" 1
394 1 34 ALA H 1 87 VAL HB . . 5.500 5.159 4.625 5.498 . 0 0 "[ . 1 . 2]" 1
395 1 34 ALA HA 1 35 HIS H . . 3.210 2.617 2.445 2.654 . 0 0 "[ . 1 . 2]" 1
396 1 34 ALA HA 1 84 LEU QD . . 4.120 1.991 1.766 2.689 . 0 0 "[ . 1 . 2]" 1
397 1 34 ALA MB 1 35 HIS H . . 3.110 2.329 2.142 2.581 . 0 0 "[ . 1 . 2]" 1
398 1 34 ALA MB 1 35 HIS HA . . 4.190 3.854 3.781 4.012 . 0 0 "[ . 1 . 2]" 1
399 1 34 ALA MB 1 35 HIS HD2 . . 4.370 4.228 4.033 4.426 0.056 19 0 "[ . 1 . 2]" 1
400 1 34 ALA MB 1 42 ILE H . . 4.020 3.713 3.430 4.009 . 0 0 "[ . 1 . 2]" 1
401 1 34 ALA MB 1 42 ILE MG . . 3.580 2.959 2.599 3.310 . 0 0 "[ . 1 . 2]" 1
402 1 34 ALA MB 1 86 THR HA . . 3.660 3.134 2.713 3.577 . 0 0 "[ . 1 . 2]" 1
403 1 34 ALA MB 1 87 VAL HA . . 2.890 2.165 1.853 2.543 . 0 0 "[ . 1 . 2]" 1
404 1 34 ALA MB 1 87 VAL HB . . 3.050 2.298 1.952 2.921 . 0 0 "[ . 1 . 2]" 1
405 1 34 ALA MB 1 90 TRP H . . 4.360 4.148 3.764 4.361 0.001 5 0 "[ . 1 . 2]" 1
406 1 34 ALA MB 1 90 TRP HB3 . . 4.090 3.109 2.447 3.498 . 0 0 "[ . 1 . 2]" 1
407 1 34 ALA MB 1 90 TRP HE3 . . 3.900 2.968 2.364 3.491 . 0 0 "[ . 1 . 2]" 1
408 1 35 HIS H 1 35 HIS HD2 . . 3.620 2.692 2.372 3.007 . 0 0 "[ . 1 . 2]" 1
409 1 35 HIS H 1 41 PHE QD . . 4.930 4.654 4.251 4.940 0.010 15 0 "[ . 1 . 2]" 1
410 1 35 HIS H 1 42 ILE HB . . 5.500 5.105 4.755 5.491 . 0 0 "[ . 1 . 2]" 1
411 1 35 HIS H 1 84 LEU QD . . 4.440 3.047 2.495 3.398 . 0 0 "[ . 1 . 2]" 1
412 1 35 HIS H 1 86 THR MG . . 4.030 3.644 3.267 4.035 0.005 1 0 "[ . 1 . 2]" 1
413 1 35 HIS H 1 87 VAL H . . 4.060 2.627 2.268 2.895 . 0 0 "[ . 1 . 2]" 1
414 1 35 HIS H 1 87 VAL HA . . 4.590 4.249 3.665 4.600 0.010 6 0 "[ . 1 . 2]" 1
415 1 35 HIS H 1 87 VAL HB . . 4.590 4.018 3.502 4.426 . 0 0 "[ . 1 . 2]" 1
416 1 35 HIS H 1 87 VAL QG . . 3.900 3.703 3.263 3.909 0.009 10 0 "[ . 1 . 2]" 1
417 1 35 HIS HA 1 36 HIS H . . 3.210 2.328 2.189 2.416 . 0 0 "[ . 1 . 2]" 1
418 1 35 HIS HA 1 36 HIS HA . . 4.650 4.394 4.359 4.432 . 0 0 "[ . 1 . 2]" 1
419 1 35 HIS HA 1 39 GLU H . . 5.500 5.325 4.994 5.513 0.013 6 0 "[ . 1 . 2]" 1
420 1 35 HIS HA 1 40 TRP H . . 4.630 4.591 4.284 4.681 0.051 11 0 "[ . 1 . 2]" 1
421 1 35 HIS HA 1 41 PHE QD . . 3.950 2.417 2.042 2.703 . 0 0 "[ . 1 . 2]" 1
422 1 35 HIS HA 1 42 ILE MD . . 5.180 4.278 3.461 4.819 . 0 0 "[ . 1 . 2]" 1
423 1 35 HIS HA 1 84 LEU QD . . 4.690 3.914 3.484 4.289 . 0 0 "[ . 1 . 2]" 1
424 1 35 HIS HA 1 87 VAL QG . . 4.040 3.843 3.550 4.071 0.031 19 0 "[ . 1 . 2]" 1
425 1 35 HIS HD2 1 79 ILE MG . . 3.990 2.508 2.014 2.752 . 0 0 "[ . 1 . 2]" 1
426 1 35 HIS HD2 1 84 LEU QD . . 3.860 2.149 1.773 2.511 . 0 0 "[ . 1 . 2]" 1
427 1 35 HIS HD2 1 86 THR MG . . 4.250 3.260 2.842 3.694 . 0 0 "[ . 1 . 2]" 1
428 1 35 HIS HE1 1 37 ASN HA . . 5.200 5.164 4.977 5.246 0.046 19 0 "[ . 1 . 2]" 1
429 1 35 HIS HE1 1 38 CYS H . . 3.710 3.642 3.453 3.736 0.026 18 0 "[ . 1 . 2]" 1
430 1 35 HIS HE1 1 38 CYS HA . . 4.890 4.127 3.972 4.281 . 0 0 "[ . 1 . 2]" 1
431 1 35 HIS HE1 1 79 ILE MG . . 4.160 3.049 2.578 3.599 . 0 0 "[ . 1 . 2]" 1
432 1 35 HIS HE1 1 86 THR MG . . 3.540 2.710 2.264 3.022 . 0 0 "[ . 1 . 2]" 1
433 1 35 HIS HE2 1 86 THR HB . . 5.500 5.192 4.693 5.512 0.012 18 0 "[ . 1 . 2]" 1
434 1 35 HIS HE2 1 86 THR MG . . 4.240 2.353 1.930 2.724 . 0 0 "[ . 1 . 2]" 1
435 1 36 HIS H 1 36 HIS HB3 . . 3.810 2.867 2.447 3.595 . 0 0 "[ . 1 . 2]" 1
436 1 36 HIS H 1 36 HIS HD2 . . 5.210 4.857 4.014 5.315 0.105 18 0 "[ . 1 . 2]" 1
437 1 36 HIS H 1 39 GLU H . . 4.490 3.426 3.092 3.710 . 0 0 "[ . 1 . 2]" 1
438 1 36 HIS H 1 40 TRP H . . 3.800 2.627 2.362 2.770 . 0 0 "[ . 1 . 2]" 1
439 1 36 HIS H 1 41 PHE QD . . 4.280 3.968 3.626 4.269 . 0 0 "[ . 1 . 2]" 1
440 1 36 HIS H 1 54 LEU QD . . 5.010 4.718 4.086 5.011 0.001 6 0 "[ . 1 . 2]" 1
441 1 36 HIS H 1 87 VAL QG . . 3.970 3.477 3.099 3.738 . 0 0 "[ . 1 . 2]" 1
442 1 36 HIS HA 1 37 ASN H . . 3.350 2.187 2.185 2.191 . 0 0 "[ . 1 . 2]" 1
443 1 36 HIS HA 1 37 ASN HA . . 4.440 4.299 4.297 4.300 . 0 0 "[ . 1 . 2]" 1
444 1 36 HIS HA 1 38 CYS H . . 4.590 3.579 3.413 3.728 . 0 0 "[ . 1 . 2]" 1
445 1 36 HIS HA 1 86 THR HB . . 3.690 3.445 3.013 3.699 0.009 1 0 "[ . 1 . 2]" 1
446 1 36 HIS HA 1 86 THR MG . . 4.190 3.412 3.214 3.746 . 0 0 "[ . 1 . 2]" 1
447 1 36 HIS HA 1 87 VAL H . . 4.100 3.519 3.178 4.031 . 0 0 "[ . 1 . 2]" 1
448 1 36 HIS HA 1 87 VAL QG . . 3.530 2.596 2.291 2.932 . 0 0 "[ . 1 . 2]" 1
449 1 36 HIS HB3 1 37 ASN H . . 4.830 4.253 3.826 4.634 . 0 0 "[ . 1 . 2]" 1
450 1 37 ASN H 1 38 CYS H . . 4.300 2.712 2.656 2.822 . 0 0 "[ . 1 . 2]" 1
451 1 37 ASN H 1 40 TRP H . . 5.060 4.891 4.784 4.952 . 0 0 "[ . 1 . 2]" 1
452 1 37 ASN H 1 86 THR HB . . 4.650 4.252 3.787 4.648 . 0 0 "[ . 1 . 2]" 1
453 1 37 ASN H 1 87 VAL QG . . 4.800 4.345 4.042 4.627 . 0 0 "[ . 1 . 2]" 1
454 1 37 ASN HA 1 37 ASN QD . . 4.340 3.433 1.934 4.044 . 0 0 "[ . 1 . 2]" 1
455 1 37 ASN HA 1 39 GLU H . . 4.370 4.226 4.119 4.477 0.107 11 0 "[ . 1 . 2]" 1
456 1 37 ASN HB3 1 37 ASN HD22 . . 4.120 3.737 3.448 4.135 0.015 13 0 "[ . 1 . 2]" 1
457 1 37 ASN HB3 1 38 CYS H . . 4.660 4.315 4.044 4.615 . 0 0 "[ . 1 . 2]" 1
458 1 37 ASN HB3 1 39 GLU H . . 4.460 3.533 2.874 4.341 . 0 0 "[ . 1 . 2]" 1
459 1 38 CYS H 1 39 GLU H . . 3.800 2.776 2.643 2.926 . 0 0 "[ . 1 . 2]" 1
460 1 38 CYS H 1 40 TRP H . . 4.550 3.995 3.627 4.254 . 0 0 "[ . 1 . 2]" 1
461 1 38 CYS H 1 79 ILE MD . . 4.540 4.424 3.988 4.559 0.019 19 0 "[ . 1 . 2]" 1
462 1 38 CYS HA 1 40 TRP H . . 5.210 4.238 3.799 4.424 . 0 0 "[ . 1 . 2]" 1
463 1 38 CYS HA 1 75 VAL MG1 . . 4.850 4.377 3.947 4.838 . 0 0 "[ . 1 . 2]" 1
464 1 38 CYS HA 1 76 ILE MD . . 4.100 3.895 3.493 4.104 0.004 13 0 "[ . 1 . 2]" 1
465 1 38 CYS HA 1 79 ILE MD . . 3.620 2.995 2.519 3.280 . 0 0 "[ . 1 . 2]" 1
466 1 38 CYS HB3 1 76 ILE MD . . 3.890 3.164 1.964 3.892 0.002 5 0 "[ . 1 . 2]" 1
467 1 38 CYS HB3 1 76 ILE MG . . 4.530 4.249 3.864 4.537 0.007 16 0 "[ . 1 . 2]" 1
468 1 39 GLU H 1 39 GLU HG3 . . 4.000 3.510 2.614 4.024 0.024 15 0 "[ . 1 . 2]" 1
469 1 39 GLU H 1 40 TRP H . . 3.180 1.847 1.778 1.886 . 0 0 "[ . 1 . 2]" 1
470 1 39 GLU H 1 40 TRP HD1 . . 4.760 4.660 4.327 4.783 0.023 3 0 "[ . 1 . 2]" 1
471 1 39 GLU H 1 57 VAL QG . . 4.440 4.243 3.513 4.466 0.026 19 0 "[ . 1 . 2]" 1
472 1 39 GLU H 1 79 ILE MD . . 5.500 5.358 4.961 5.520 0.020 9 0 "[ . 1 . 2]" 1
473 1 39 GLU HA 1 39 GLU HG3 . . 4.030 3.712 3.614 3.869 . 0 0 "[ . 1 . 2]" 1
474 1 39 GLU HA 1 40 TRP H . . 3.590 3.562 3.401 3.597 0.007 11 0 "[ . 1 . 2]" 1
475 1 39 GLU HA 1 40 TRP HD1 . . 4.730 4.323 4.023 4.927 0.197 15 0 "[ . 1 . 2]" 1
476 1 39 GLU HA 1 57 VAL H . . 4.940 4.137 3.625 4.503 . 0 0 "[ . 1 . 2]" 1
477 1 39 GLU HA 1 57 VAL HB . . 3.950 3.463 2.734 3.973 0.023 18 0 "[ . 1 . 2]" 1
478 1 39 GLU HA 1 57 VAL MG1 . . 4.450 2.415 1.970 4.406 . 0 0 "[ . 1 . 2]" 1
479 1 39 GLU HA 1 57 VAL QG . . 3.450 2.064 1.963 2.262 . 0 0 "[ . 1 . 2]" 1
480 1 39 GLU HA 1 57 VAL MG2 . . 4.450 3.698 1.967 4.440 . 0 0 "[ . 1 . 2]" 1
481 1 39 GLU HB3 1 40 TRP H . . 4.400 3.898 3.740 4.135 . 0 0 "[ . 1 . 2]" 1
482 1 39 GLU HG3 1 40 TRP H . . 4.120 2.911 1.948 4.158 0.038 15 0 "[ . 1 . 2]" 1
483 1 40 TRP H 1 40 TRP HD1 . . 3.930 3.497 3.143 3.924 . 0 0 "[ . 1 . 2]" 1
484 1 40 TRP H 1 41 PHE H . . 4.570 4.495 4.431 4.522 . 0 0 "[ . 1 . 2]" 1
485 1 40 TRP H 1 57 VAL QG . . 4.710 4.273 3.564 4.604 . 0 0 "[ . 1 . 2]" 1
486 1 40 TRP HA 1 40 TRP HD1 . . 3.960 2.643 2.349 3.601 . 0 0 "[ . 1 . 2]" 1
487 1 40 TRP HA 1 40 TRP HE1 . . 5.450 4.781 4.688 5.176 . 0 0 "[ . 1 . 2]" 1
488 1 40 TRP HA 1 41 PHE H . . 3.200 2.467 2.399 2.522 . 0 0 "[ . 1 . 2]" 1
489 1 40 TRP HA 1 56 PRO HA . . 3.570 2.552 1.991 3.034 . 0 0 "[ . 1 . 2]" 1
490 1 40 TRP HA 1 56 PRO HB3 . . 5.100 4.530 3.837 5.103 0.003 1 0 "[ . 1 . 2]" 1
491 1 40 TRP HA 1 57 VAL H . . 4.110 3.230 2.622 3.758 . 0 0 "[ . 1 . 2]" 1
492 1 40 TRP HA 1 57 VAL QG . . 4.230 3.815 2.926 4.231 0.001 6 0 "[ . 1 . 2]" 1
493 1 40 TRP HB3 1 41 PHE H . . 3.870 2.591 2.470 2.748 . 0 0 "[ . 1 . 2]" 1
494 1 40 TRP HB3 1 42 ILE MD . . 4.470 3.957 3.640 4.435 . 0 0 "[ . 1 . 2]" 1
495 1 40 TRP HB3 1 54 LEU HB3 . . 4.300 3.415 2.797 3.997 . 0 0 "[ . 1 . 2]" 1
496 1 40 TRP HB3 1 54 LEU QD . . 3.480 2.685 1.953 3.244 . 0 0 "[ . 1 . 2]" 1
497 1 40 TRP HB3 1 55 VAL H . . 4.400 3.663 3.117 3.820 . 0 0 "[ . 1 . 2]" 1
498 1 40 TRP HB3 1 56 PRO HA . . 5.090 4.508 4.079 5.100 0.010 1 0 "[ . 1 . 2]" 1
499 1 40 TRP HB3 1 87 VAL QG . . 4.410 4.345 4.161 4.508 0.098 19 0 "[ . 1 . 2]" 1
500 1 40 TRP HE3 1 41 PHE H . . 4.870 4.386 2.595 4.891 0.021 19 0 "[ . 1 . 2]" 1
501 1 40 TRP HE3 1 54 LEU MD1 . . 4.820 3.134 1.852 4.166 . 0 0 "[ . 1 . 2]" 1
502 1 40 TRP HE3 1 54 LEU QD . . 3.730 2.011 1.767 2.750 . 0 0 "[ . 1 . 2]" 1
503 1 40 TRP HE3 1 54 LEU MD2 . . 4.820 2.144 1.781 3.712 . 0 0 "[ . 1 . 2]" 1
504 1 40 TRP HE3 1 54 LEU HG . . 4.670 4.276 3.966 4.693 0.023 11 0 "[ . 1 . 2]" 1
505 1 40 TRP HE3 1 55 VAL H . . 4.600 4.201 1.977 4.615 0.015 5 0 "[ . 1 . 2]" 1
506 1 41 PHE H 1 41 PHE HB3 . . 3.850 3.692 3.596 3.780 . 0 0 "[ . 1 . 2]" 1
507 1 41 PHE H 1 42 ILE MD . . 4.730 4.056 3.628 4.335 . 0 0 "[ . 1 . 2]" 1
508 1 41 PHE H 1 54 LEU HA . . 4.270 4.030 3.782 4.294 0.024 15 0 "[ . 1 . 2]" 1
509 1 41 PHE H 1 54 LEU QD . . 4.220 3.751 3.026 4.232 0.012 19 0 "[ . 1 . 2]" 1
510 1 41 PHE H 1 55 VAL H . . 3.810 2.299 1.943 2.426 . 0 0 "[ . 1 . 2]" 1
511 1 41 PHE H 1 55 VAL HB . . 5.240 4.859 3.837 5.287 0.047 11 0 "[ . 1 . 2]" 1
512 1 41 PHE H 1 55 VAL MG1 . . 5.190 3.723 2.514 5.104 . 0 0 "[ . 1 . 2]" 1
513 1 41 PHE H 1 55 VAL QG . . 4.530 3.116 2.489 4.096 . 0 0 "[ . 1 . 2]" 1
514 1 41 PHE H 1 55 VAL MG2 . . 5.190 3.818 3.029 4.805 . 0 0 "[ . 1 . 2]" 1
515 1 41 PHE H 1 56 PRO HA . . 4.180 3.812 3.375 4.029 . 0 0 "[ . 1 . 2]" 1
516 1 41 PHE H 1 57 VAL H . . 5.140 4.936 4.416 5.177 0.037 20 0 "[ . 1 . 2]" 1
517 1 41 PHE HA 1 41 PHE QD . . 4.100 2.143 1.965 2.366 . 0 0 "[ . 1 . 2]" 1
518 1 41 PHE HA 1 42 ILE H . . 3.500 2.422 2.322 2.524 . 0 0 "[ . 1 . 2]" 1
519 1 41 PHE HA 1 42 ILE HB . . 4.900 4.634 4.298 4.823 . 0 0 "[ . 1 . 2]" 1
520 1 41 PHE HA 1 42 ILE MD . . 4.150 3.680 2.786 3.931 . 0 0 "[ . 1 . 2]" 1
521 1 41 PHE HA 1 55 VAL QG . . 5.440 4.196 3.656 5.379 . 0 0 "[ . 1 . 2]" 1
522 1 41 PHE HA 1 60 VAL MG2 . . 5.500 5.501 5.368 5.556 0.056 10 0 "[ . 1 . 2]" 1
523 1 41 PHE HA 1 84 LEU QD . . 5.320 4.648 4.292 4.960 . 0 0 "[ . 1 . 2]" 1
524 1 41 PHE HB3 1 42 ILE H . . 4.510 2.664 2.433 2.961 . 0 0 "[ . 1 . 2]" 1
525 1 41 PHE HB3 1 42 ILE MD . . 5.000 4.888 4.282 5.049 0.049 19 0 "[ . 1 . 2]" 1
526 1 41 PHE HB3 1 43 ALA MB . . 4.900 4.542 3.516 4.923 0.023 14 0 "[ . 1 . 2]" 1
527 1 41 PHE HB3 1 55 VAL H . . 4.880 4.534 4.174 4.902 0.022 12 0 "[ . 1 . 2]" 1
528 1 41 PHE HB3 1 55 VAL QG . . 4.280 3.075 2.366 4.294 0.014 16 0 "[ . 1 . 2]" 1
529 1 41 PHE HB3 1 60 VAL MG2 . . 4.330 4.046 3.725 4.273 . 0 0 "[ . 1 . 2]" 1
530 1 41 PHE QD 1 42 ILE H . . 4.470 3.586 3.330 3.886 . 0 0 "[ . 1 . 2]" 1
531 1 41 PHE QD 1 55 VAL HB . . 5.320 5.101 4.247 5.399 0.079 19 0 "[ . 1 . 2]" 1
532 1 41 PHE QD 1 57 VAL HA . . 3.930 2.647 2.201 3.124 . 0 0 "[ . 1 . 2]" 1
533 1 41 PHE QD 1 60 VAL MG1 . . 4.100 3.425 3.052 3.924 . 0 0 "[ . 1 . 2]" 1
534 1 41 PHE QD 1 60 VAL MG2 . . 3.590 1.804 1.765 1.892 . 0 0 "[ . 1 . 2]" 1
535 1 41 PHE QD 1 84 LEU QD . . 4.110 3.719 3.321 4.113 0.003 3 0 "[ . 1 . 2]" 1
536 1 41 PHE QE 1 57 VAL H . . 4.680 4.325 3.622 4.706 0.026 7 0 "[ . 1 . 2]" 1
537 1 41 PHE QE 1 57 VAL QG . . 4.330 1.911 1.733 2.408 . 0 0 "[ . 1 . 2]" 1
538 1 41 PHE QE 1 62 ILE MD . . 4.510 4.127 3.786 4.509 . 0 0 "[ . 1 . 2]" 1
539 1 41 PHE QE 1 75 VAL MG2 . . 3.550 2.272 1.955 2.604 . 0 0 "[ . 1 . 2]" 1
540 1 41 PHE QE 1 79 ILE MD . . 3.530 2.042 1.888 2.423 . 0 0 "[ . 1 . 2]" 1
541 1 41 PHE HZ 1 57 VAL HA . . 4.850 4.416 4.110 4.856 0.006 13 0 "[ . 1 . 2]" 1
542 1 41 PHE HZ 1 57 VAL HB . . 5.090 3.597 2.635 5.092 0.002 10 0 "[ . 1 . 2]" 1
543 1 41 PHE HZ 1 57 VAL QG . . 4.920 2.230 1.927 2.906 . 0 0 "[ . 1 . 2]" 1
544 1 41 PHE HZ 1 62 ILE MD . . 5.260 4.420 3.886 4.860 . 0 0 "[ . 1 . 2]" 1
545 1 41 PHE HZ 1 75 VAL MG1 . . 3.890 1.977 1.827 2.652 . 0 0 "[ . 1 . 2]" 1
546 1 41 PHE HZ 1 75 VAL MG2 . . 3.680 1.926 1.775 2.062 . 0 0 "[ . 1 . 2]" 1
547 1 41 PHE HZ 1 79 ILE HG13 . . 5.500 5.011 4.339 5.335 . 0 0 "[ . 1 . 2]" 1
548 1 42 ILE H 1 42 ILE HB . . 3.890 2.462 2.263 2.566 . 0 0 "[ . 1 . 2]" 1
549 1 42 ILE H 1 42 ILE MD . . 4.190 3.250 2.453 3.481 . 0 0 "[ . 1 . 2]" 1
550 1 42 ILE HA 1 42 ILE MD . . 3.430 1.942 1.887 2.106 . 0 0 "[ . 1 . 2]" 1
551 1 42 ILE HA 1 42 ILE MG . . 3.410 2.433 2.271 2.677 . 0 0 "[ . 1 . 2]" 1
552 1 42 ILE HA 1 43 ALA H . . 3.290 2.214 2.176 2.329 . 0 0 "[ . 1 . 2]" 1
553 1 42 ILE HA 1 43 ALA HA . . 4.570 4.398 4.366 4.487 . 0 0 "[ . 1 . 2]" 1
554 1 42 ILE HA 1 43 ALA MB . . 4.110 3.986 3.863 4.124 0.014 5 0 "[ . 1 . 2]" 1
555 1 42 ILE HA 1 53 GLY H . . 4.540 4.168 3.453 4.556 0.016 13 0 "[ . 1 . 2]" 1
556 1 42 ILE HA 1 54 LEU HA . . 3.650 2.612 2.032 2.995 . 0 0 "[ . 1 . 2]" 1
557 1 42 ILE HA 1 54 LEU QD . . 3.830 3.515 2.925 3.781 . 0 0 "[ . 1 . 2]" 1
558 1 42 ILE HA 1 55 VAL H . . 4.100 3.826 3.680 3.981 . 0 0 "[ . 1 . 2]" 1
559 1 42 ILE MD 1 42 ILE MG . . 3.020 2.122 1.918 3.203 0.183 18 0 "[ . 1 . 2]" 1
560 1 42 ILE MD 1 43 ALA H . . 3.970 3.661 3.369 3.838 . 0 0 "[ . 1 . 2]" 1
561 1 42 ILE MD 1 53 GLY HA2 . . 4.570 4.559 4.300 4.712 0.142 18 0 "[ . 1 . 2]" 1
562 1 42 ILE MD 1 54 LEU H . . 4.580 4.394 4.067 4.587 0.007 11 0 "[ . 1 . 2]" 1
563 1 42 ILE MD 1 54 LEU HA . . 3.760 2.572 1.974 2.807 . 0 0 "[ . 1 . 2]" 1
564 1 42 ILE MD 1 54 LEU HB3 . . 4.560 3.693 3.130 4.120 . 0 0 "[ . 1 . 2]" 1
565 1 42 ILE MD 1 54 LEU HG . . 4.740 2.537 1.803 3.890 . 0 0 "[ . 1 . 2]" 1
566 1 42 ILE MD 1 87 VAL HA . . 4.070 3.929 3.737 4.084 0.014 18 0 "[ . 1 . 2]" 1
567 1 42 ILE MD 1 87 VAL HB . . 3.920 2.165 1.969 2.481 . 0 0 "[ . 1 . 2]" 1
568 1 42 ILE MD 1 87 VAL MG1 . . 3.440 2.753 2.097 3.263 . 0 0 "[ . 1 . 2]" 1
569 1 42 ILE MD 1 87 VAL QG . . 2.940 1.912 1.811 2.039 . 0 0 "[ . 1 . 2]" 1
570 1 42 ILE MD 1 87 VAL MG2 . . 3.440 1.960 1.831 2.096 . 0 0 "[ . 1 . 2]" 1
571 1 42 ILE MD 1 90 TRP HE3 . . 4.600 4.351 4.011 4.593 . 0 0 "[ . 1 . 2]" 1
572 1 42 ILE MD 1 90 TRP HZ3 . . 4.090 3.730 3.008 4.092 0.002 5 0 "[ . 1 . 2]" 1
573 1 42 ILE MG 1 43 ALA H . . 3.770 3.131 2.581 3.649 . 0 0 "[ . 1 . 2]" 1
574 1 42 ILE MG 1 43 ALA HA . . 4.450 4.020 3.676 4.458 0.008 20 0 "[ . 1 . 2]" 1
575 1 42 ILE MG 1 44 LYS H . . 5.500 5.087 4.474 5.513 0.013 5 0 "[ . 1 . 2]" 1
576 1 42 ILE MG 1 52 PRO HA . . 4.210 3.748 2.572 4.220 0.010 14 0 "[ . 1 . 2]" 1
577 1 42 ILE MG 1 52 PRO HB3 . . 3.580 2.644 2.049 3.353 . 0 0 "[ . 1 . 2]" 1
578 1 42 ILE MG 1 53 GLY H . . 4.260 3.150 2.696 3.470 . 0 0 "[ . 1 . 2]" 1
579 1 42 ILE MG 1 54 LEU H . . 5.500 5.239 4.751 5.535 0.035 18 0 "[ . 1 . 2]" 1
580 1 42 ILE MG 1 54 LEU HA . . 4.590 4.180 3.521 4.642 0.052 18 0 "[ . 1 . 2]" 1
581 1 42 ILE MG 1 54 LEU QD . . 4.220 3.872 3.327 4.270 0.050 18 0 "[ . 1 . 2]" 1
582 1 42 ILE MG 1 87 VAL QG . . 4.240 3.418 2.937 3.658 . 0 0 "[ . 1 . 2]" 1
583 1 42 ILE MG 1 90 TRP HH2 . . 3.950 3.565 3.114 3.951 0.001 12 0 "[ . 1 . 2]" 1
584 1 43 ALA H 1 43 ALA MB . . 3.470 2.186 2.017 2.376 . 0 0 "[ . 1 . 2]" 1
585 1 43 ALA H 1 44 LYS H . . 4.660 4.548 4.453 4.651 . 0 0 "[ . 1 . 2]" 1
586 1 43 ALA H 1 52 PRO HA . . 5.410 5.193 4.502 5.426 0.016 15 0 "[ . 1 . 2]" 1
587 1 43 ALA H 1 53 GLY H . . 4.180 3.106 2.900 3.703 . 0 0 "[ . 1 . 2]" 1
588 1 43 ALA H 1 54 LEU HA . . 4.350 3.191 2.636 3.642 . 0 0 "[ . 1 . 2]" 1
589 1 43 ALA H 1 54 LEU QD . . 5.210 4.709 3.973 5.042 . 0 0 "[ . 1 . 2]" 1
590 1 43 ALA H 1 55 VAL QG . . 4.280 2.483 1.983 3.747 . 0 0 "[ . 1 . 2]" 1
591 1 43 ALA HA 1 44 LYS H . . 3.460 2.467 2.191 2.718 . 0 0 "[ . 1 . 2]" 1
592 1 43 ALA HA 1 44 LYS HA . . 4.720 4.522 4.362 4.654 . 0 0 "[ . 1 . 2]" 1
593 1 43 ALA HA 1 55 VAL QG . . 5.440 3.463 3.008 4.130 . 0 0 "[ . 1 . 2]" 1
594 1 43 ALA MB 1 44 LYS H . . 3.340 2.510 2.006 3.306 . 0 0 "[ . 1 . 2]" 1
595 1 43 ALA MB 1 44 LYS HA . . 4.050 3.879 3.641 4.317 0.267 14 0 "[ . 1 . 2]" 1
596 1 43 ALA MB 1 54 LEU HA . . 4.820 4.234 3.624 4.811 . 0 0 "[ . 1 . 2]" 1
597 1 43 ALA MB 1 55 VAL H . . 4.660 4.275 3.981 4.679 0.019 18 0 "[ . 1 . 2]" 1
598 1 43 ALA MB 1 55 VAL HB . . 3.780 3.228 2.638 3.797 0.017 11 0 "[ . 1 . 2]" 1
599 1 43 ALA MB 1 55 VAL QG . . 2.870 1.792 1.534 2.565 . 0 0 "[ . 1 . 2]" 1
600 1 45 PRO HA 1 46 ILE H . . 3.540 2.427 2.165 2.781 . 0 0 "[ . 1 . 2]" 1
601 1 47 GLY H 1 48 ARG H . . 4.700 2.980 1.936 4.524 . 0 0 "[ . 1 . 2]" 1
602 1 48 ARG H 1 49 LEU H . . 4.610 4.254 4.000 4.456 . 0 0 "[ . 1 . 2]" 1
603 1 48 ARG H 1 49 LEU HA . . 4.960 4.764 4.482 4.999 0.039 7 0 "[ . 1 . 2]" 1
604 1 50 GLY QA 1 51 GLY H . . 3.070 2.406 2.171 2.863 . 0 0 "[ . 1 . 2]" 1
605 1 50 GLY QA 1 51 GLY QA . . 4.370 3.687 3.596 3.804 . 0 0 "[ . 1 . 2]" 1
606 1 51 GLY H 1 52 PRO HA . . 4.660 4.394 4.230 4.534 . 0 0 "[ . 1 . 2]" 1
607 1 53 GLY HA2 1 54 LEU H . . 3.560 2.508 2.216 2.812 . 0 0 "[ . 1 . 2]" 1
608 1 53 GLY HA2 1 54 LEU QD . . 4.650 3.934 3.055 4.470 . 0 0 "[ . 1 . 2]" 1
609 1 53 GLY HA2 1 54 LEU HG . . 5.500 3.905 3.460 4.464 . 0 0 "[ . 1 . 2]" 1
610 1 53 GLY HA3 1 54 LEU H . . 3.460 2.756 2.444 3.200 . 0 0 "[ . 1 . 2]" 1
611 1 53 GLY HA3 1 54 LEU HG . . 5.500 4.946 4.546 5.433 . 0 0 "[ . 1 . 2]" 1
612 1 54 LEU H 1 54 LEU MD1 . . 4.410 3.302 2.558 4.008 . 0 0 "[ . 1 . 2]" 1
613 1 54 LEU H 1 54 LEU QD . . 3.570 3.133 2.543 3.503 . 0 0 "[ . 1 . 2]" 1
614 1 54 LEU H 1 54 LEU MD2 . . 4.410 4.168 2.827 4.482 0.072 7 0 "[ . 1 . 2]" 1
615 1 54 LEU H 1 54 LEU HG . . 4.000 3.069 2.181 3.600 . 0 0 "[ . 1 . 2]" 1
616 1 54 LEU HA 1 54 LEU MD1 . . 4.130 3.801 3.504 3.968 . 0 0 "[ . 1 . 2]" 1
617 1 54 LEU HA 1 54 LEU QD . . 3.180 2.535 1.932 3.038 . 0 0 "[ . 1 . 2]" 1
618 1 54 LEU HA 1 54 LEU MD2 . . 4.130 2.594 1.938 3.308 . 0 0 "[ . 1 . 2]" 1
619 1 54 LEU HA 1 54 LEU HG . . 4.120 2.624 2.337 3.471 . 0 0 "[ . 1 . 2]" 1
620 1 54 LEU HA 1 55 VAL H . . 3.050 2.297 2.187 2.521 . 0 0 "[ . 1 . 2]" 1
621 1 54 LEU HA 1 55 VAL HA . . 4.630 4.437 4.380 4.545 . 0 0 "[ . 1 . 2]" 1
622 1 54 LEU HA 1 55 VAL QG . . 3.850 3.112 2.843 3.660 . 0 0 "[ . 1 . 2]" 1
623 1 54 LEU HB3 1 54 LEU QD . . 3.130 2.078 1.946 2.152 . 0 0 "[ . 1 . 2]" 1
624 1 54 LEU HB3 1 55 VAL H . . 3.560 2.986 2.374 3.447 . 0 0 "[ . 1 . 2]" 1
625 1 54 LEU QD 1 55 VAL H . . 3.600 3.386 2.760 3.626 0.026 7 0 "[ . 1 . 2]" 1
626 1 54 LEU QD 1 87 VAL H . . 5.310 5.148 4.654 5.317 0.007 5 0 "[ . 1 . 2]" 1
627 1 54 LEU QD 1 87 VAL HA . . 5.230 5.179 4.947 5.246 0.016 10 0 "[ . 1 . 2]" 1
628 1 54 LEU QD 1 87 VAL HB . . 4.230 3.490 3.180 3.651 . 0 0 "[ . 1 . 2]" 1
629 1 54 LEU QD 1 87 VAL QG . . 2.960 2.261 1.898 2.597 . 0 0 "[ . 1 . 2]" 1
630 1 55 VAL H 1 55 VAL HB . . 3.890 3.533 3.011 3.914 0.024 11 0 "[ . 1 . 2]" 1
631 1 55 VAL H 1 55 VAL QG . . 3.590 2.248 1.893 2.623 . 0 0 "[ . 1 . 2]" 1
632 1 55 VAL HA 1 55 VAL MG1 . . 3.630 2.733 1.984 3.207 . 0 0 "[ . 1 . 2]" 1
633 1 55 VAL HA 1 55 VAL QG . . 3.150 2.336 1.942 2.564 . 0 0 "[ . 1 . 2]" 1
634 1 55 VAL HA 1 55 VAL MG2 . . 3.630 2.740 2.209 3.188 . 0 0 "[ . 1 . 2]" 1
635 1 55 VAL HA 1 56 PRO HB3 . . 5.140 4.973 4.956 5.027 . 0 0 "[ . 1 . 2]" 1
636 1 55 VAL HA 1 56 PRO HG3 . . 4.270 4.208 4.181 4.269 . 0 0 "[ . 1 . 2]" 1
637 1 55 VAL QG 1 56 PRO HA . . 4.500 3.938 3.668 4.451 . 0 0 "[ . 1 . 2]" 1
638 1 55 VAL QG 1 59 PHE QD . . 4.920 4.293 2.473 5.011 0.091 11 0 "[ . 1 . 2]" 1
639 1 56 PRO HA 1 57 VAL H . . 3.300 2.273 2.193 2.363 . 0 0 "[ . 1 . 2]" 1
640 1 56 PRO HA 1 57 VAL HA . . 4.280 4.227 4.212 4.240 . 0 0 "[ . 1 . 2]" 1
641 1 56 PRO HA 1 57 VAL HB . . 4.920 4.501 4.338 4.913 . 0 0 "[ . 1 . 2]" 1
642 1 56 PRO HA 1 58 GLY H . . 4.510 3.761 3.528 4.021 . 0 0 "[ . 1 . 2]" 1
643 1 56 PRO HB3 1 57 VAL H . . 4.360 3.656 3.497 3.832 . 0 0 "[ . 1 . 2]" 1
644 1 56 PRO HB3 1 59 PHE QD . . 4.910 4.412 3.731 5.054 0.144 20 0 "[ . 1 . 2]" 1
645 1 56 PRO HG3 1 59 PHE QD . . 5.160 3.678 3.153 4.432 . 0 0 "[ . 1 . 2]" 1
646 1 57 VAL H 1 57 VAL HB . . 3.730 2.564 2.397 2.778 . 0 0 "[ . 1 . 2]" 1
647 1 57 VAL H 1 57 VAL MG1 . . 4.020 2.227 1.868 3.734 . 0 0 "[ . 1 . 2]" 1
648 1 57 VAL H 1 57 VAL QG . . 3.350 1.963 1.863 2.233 . 0 0 "[ . 1 . 2]" 1
649 1 57 VAL H 1 57 VAL MG2 . . 4.020 3.454 1.888 3.738 . 0 0 "[ . 1 . 2]" 1
650 1 57 VAL H 1 58 GLY H . . 3.820 2.490 2.288 2.673 . 0 0 "[ . 1 . 2]" 1
651 1 57 VAL HA 1 59 PHE H . . 4.030 3.352 3.233 3.558 . 0 0 "[ . 1 . 2]" 1
652 1 57 VAL HA 1 60 VAL H . . 4.300 3.305 2.880 3.890 . 0 0 "[ . 1 . 2]" 1
653 1 57 VAL HA 1 60 VAL MG1 . . 4.570 3.816 3.566 4.332 . 0 0 "[ . 1 . 2]" 1
654 1 57 VAL HA 1 60 VAL MG2 . . 3.540 1.872 1.769 2.172 . 0 0 "[ . 1 . 2]" 1
655 1 57 VAL HA 1 75 VAL MG2 . . 5.460 5.145 4.952 5.441 . 0 0 "[ . 1 . 2]" 1
656 1 57 VAL HB 1 58 GLY H . . 4.220 4.076 3.259 4.285 0.065 20 0 "[ . 1 . 2]" 1
657 1 57 VAL HB 1 58 GLY QA . . 5.340 5.106 3.990 5.314 . 0 0 "[ . 1 . 2]" 1
658 1 57 VAL HB 1 60 VAL MG2 . . 4.460 3.771 3.477 4.465 0.005 18 0 "[ . 1 . 2]" 1
659 1 57 VAL QG 1 58 GLY H . . 4.010 2.463 1.926 3.690 . 0 0 "[ . 1 . 2]" 1
660 1 57 VAL QG 1 58 GLY QA . . 4.670 3.183 2.946 3.935 . 0 0 "[ . 1 . 2]" 1
661 1 57 VAL QG 1 59 PHE H . . 4.920 3.900 3.794 4.164 . 0 0 "[ . 1 . 2]" 1
662 1 57 VAL QG 1 75 VAL HB . . 4.410 3.553 2.946 3.792 . 0 0 "[ . 1 . 2]" 1
663 1 57 VAL QG 1 75 VAL MG1 . . 3.130 2.121 1.890 2.413 . 0 0 "[ . 1 . 2]" 1
664 1 57 VAL QG 1 75 VAL MG2 . . 3.730 3.271 2.878 3.595 . 0 0 "[ . 1 . 2]" 1
665 1 57 VAL MG1 1 75 VAL MG1 . . 4.190 3.736 1.964 4.200 0.010 7 0 "[ . 1 . 2]" 1
666 1 57 VAL MG2 1 75 VAL MG1 . . 4.190 2.243 1.895 3.308 . 0 0 "[ . 1 . 2]" 1
667 1 58 GLY H 1 59 PHE H . . 3.640 2.638 2.418 2.721 . 0 0 "[ . 1 . 2]" 1
668 1 58 GLY H 1 59 PHE HA . . 5.450 5.131 4.980 5.247 . 0 0 "[ . 1 . 2]" 1
669 1 58 GLY H 1 60 VAL H . . 4.440 4.177 3.939 4.451 0.011 11 0 "[ . 1 . 2]" 1
670 1 58 GLY QA 1 60 VAL MG2 . . 5.340 4.676 4.367 4.920 . 0 0 "[ . 1 . 2]" 1
671 1 59 PHE H 1 59 PHE HB3 . . 3.820 3.513 2.398 3.769 . 0 0 "[ . 1 . 2]" 1
672 1 59 PHE H 1 59 PHE QD . . 3.620 2.931 2.427 3.649 0.029 10 0 "[ . 1 . 2]" 1
673 1 59 PHE H 1 60 VAL HA . . 5.150 4.635 4.458 4.926 . 0 0 "[ . 1 . 2]" 1
674 1 59 PHE H 1 60 VAL MG1 . . 3.930 3.354 2.959 3.672 . 0 0 "[ . 1 . 2]" 1
675 1 59 PHE HA 1 60 VAL MG1 . . 4.490 4.085 3.949 4.283 . 0 0 "[ . 1 . 2]" 1
676 1 59 PHE HB3 1 60 VAL MG1 . . 4.120 3.139 2.765 3.570 . 0 0 "[ . 1 . 2]" 1
677 1 60 VAL H 1 60 VAL HB . . 4.080 3.900 3.796 3.946 . 0 0 "[ . 1 . 2]" 1
678 1 60 VAL H 1 60 VAL MG1 . . 4.100 3.031 2.777 3.179 . 0 0 "[ . 1 . 2]" 1
679 1 60 VAL H 1 60 VAL MG2 . . 3.080 2.474 2.346 2.612 . 0 0 "[ . 1 . 2]" 1
680 1 60 VAL H 1 61 SER H . . 4.490 4.346 4.255 4.460 . 0 0 "[ . 1 . 2]" 1
681 1 60 VAL HA 1 60 VAL MG1 . . 3.370 2.349 2.253 2.505 . 0 0 "[ . 1 . 2]" 1
682 1 60 VAL HA 1 61 SER H . . 3.330 2.348 2.270 2.583 . 0 0 "[ . 1 . 2]" 1
683 1 60 VAL HB 1 61 SER H . . 3.470 2.814 2.317 3.019 . 0 0 "[ . 1 . 2]" 1
684 1 60 VAL HB 1 61 SER HA . . 4.800 4.564 4.441 4.799 . 0 0 "[ . 1 . 2]" 1
685 1 60 VAL MG1 1 61 SER H . . 4.120 3.939 3.813 4.123 0.003 16 0 "[ . 1 . 2]" 1
686 1 60 VAL MG2 1 61 SER H . . 3.850 3.618 3.154 3.820 . 0 0 "[ . 1 . 2]" 1
687 1 60 VAL MG2 1 61 SER HA . . 4.270 3.667 3.408 3.831 . 0 0 "[ . 1 . 2]" 1
688 1 61 SER H 1 63 ILE MG . . 5.270 4.908 4.577 5.231 . 0 0 "[ . 1 . 2]" 1
689 1 61 SER HA 1 62 ILE H . . 3.140 2.390 2.251 2.478 . 0 0 "[ . 1 . 2]" 1
690 1 61 SER HA 1 62 ILE HB . . 4.860 4.632 4.436 4.866 0.006 18 0 "[ . 1 . 2]" 1
691 1 61 SER HA 1 62 ILE MD . . 4.860 4.088 3.495 4.634 . 0 0 "[ . 1 . 2]" 1
692 1 61 SER HA 1 75 VAL HB . . 5.500 4.635 4.027 5.159 . 0 0 "[ . 1 . 2]" 1
693 1 62 ILE H 1 62 ILE HB . . 3.810 2.458 2.325 2.667 . 0 0 "[ . 1 . 2]" 1
694 1 62 ILE H 1 62 ILE MD . . 4.100 3.479 2.926 3.874 . 0 0 "[ . 1 . 2]" 1
695 1 62 ILE H 1 62 ILE HG13 . . 4.150 3.902 3.502 4.158 0.008 15 0 "[ . 1 . 2]" 1
696 1 62 ILE H 1 62 ILE MG . . 3.850 3.750 3.653 3.841 . 0 0 "[ . 1 . 2]" 1
697 1 62 ILE H 1 63 ILE MG . . 4.670 3.541 3.060 4.257 . 0 0 "[ . 1 . 2]" 1
698 1 62 ILE H 1 75 VAL MG1 . . 5.240 4.990 4.398 5.247 0.007 16 0 "[ . 1 . 2]" 1
699 1 62 ILE HA 1 62 ILE MD . . 3.720 1.982 1.897 2.226 . 0 0 "[ . 1 . 2]" 1
700 1 62 ILE HA 1 62 ILE MG . . 3.580 2.371 2.189 2.509 . 0 0 "[ . 1 . 2]" 1
701 1 62 ILE HA 1 63 ILE MG . . 4.400 3.560 3.258 3.905 . 0 0 "[ . 1 . 2]" 1
702 1 62 ILE HB 1 74 ASP HA . . 5.070 4.555 3.979 4.831 . 0 0 "[ . 1 . 2]" 1
703 1 62 ILE HB 1 75 VAL H . . 4.630 4.324 3.702 4.634 0.004 11 0 "[ . 1 . 2]" 1
704 1 62 ILE MD 1 62 ILE MG . . 3.120 2.089 1.913 2.369 . 0 0 "[ . 1 . 2]" 1
705 1 62 ILE MD 1 75 VAL HB . . 4.510 3.577 3.305 3.815 . 0 0 "[ . 1 . 2]" 1
706 1 62 ILE MD 1 75 VAL MG2 . . 3.140 2.357 1.962 2.867 . 0 0 "[ . 1 . 2]" 1
707 1 62 ILE HG13 1 62 ILE MG . . 3.700 2.323 2.131 2.495 . 0 0 "[ . 1 . 2]" 1
708 1 62 ILE HG13 1 75 VAL H . . 4.850 4.324 3.861 4.845 . 0 0 "[ . 1 . 2]" 1
709 1 62 ILE HG13 1 75 VAL HA . . 4.180 2.211 2.003 2.597 . 0 0 "[ . 1 . 2]" 1
710 1 62 ILE HG13 1 75 VAL MG2 . . 3.390 1.938 1.849 2.158 . 0 0 "[ . 1 . 2]" 1
711 1 62 ILE MG 1 75 VAL HA . . 4.420 2.954 2.456 3.413 . 0 0 "[ . 1 . 2]" 1
712 1 62 ILE MG 1 78 ASP H . . 4.730 4.447 3.504 4.731 0.001 3 0 "[ . 1 . 2]" 1
713 1 62 ILE MG 1 78 ASP HA . . 5.000 4.609 4.111 5.007 0.007 13 0 "[ . 1 . 2]" 1
714 1 62 ILE MG 1 78 ASP HB3 . . 3.900 2.873 2.163 3.249 . 0 0 "[ . 1 . 2]" 1
715 1 63 ILE H 1 63 ILE MG . . 3.970 2.975 2.446 3.446 . 0 0 "[ . 1 . 2]" 1
716 1 63 ILE MD 1 70 ALA HA . . 5.030 4.783 3.860 5.034 0.004 19 0 "[ . 1 . 2]" 1
717 1 63 ILE MG 1 70 ALA H . . 4.700 4.222 3.252 4.699 . 0 0 "[ . 1 . 2]" 1
718 1 63 ILE MG 1 70 ALA HA . . 3.240 2.742 2.257 3.090 . 0 0 "[ . 1 . 2]" 1
719 1 63 ILE MG 1 70 ALA MB . . 3.450 2.686 1.764 3.371 . 0 0 "[ . 1 . 2]" 1
720 1 63 ILE MG 1 71 THR H . . 4.470 4.109 3.419 4.474 0.004 14 0 "[ . 1 . 2]" 1
721 1 67 THR MG 1 68 GLY H . . 4.320 2.929 1.919 4.163 . 0 0 "[ . 1 . 2]" 1
722 1 67 THR MG 1 69 TYR H . . 4.510 3.354 1.868 4.441 . 0 0 "[ . 1 . 2]" 1
723 1 67 THR MG 1 69 TYR QD . . 4.200 2.706 1.850 3.977 . 0 0 "[ . 1 . 2]" 1
724 1 67 THR MG 1 69 TYR QE . . 4.100 2.798 1.935 4.093 . 0 0 "[ . 1 . 2]" 1
725 1 68 GLY H 1 69 TYR H . . 4.200 2.601 1.901 4.200 . 0 0 "[ . 1 . 2]" 1
726 1 69 TYR H 1 69 TYR HB3 . . 4.100 3.471 3.176 3.741 . 0 0 "[ . 1 . 2]" 1
727 1 69 TYR H 1 70 ALA H . . 4.540 4.437 4.372 4.539 . 0 0 "[ . 1 . 2]" 1
728 1 69 TYR H 1 70 ALA MB . . 5.500 5.293 4.721 5.497 . 0 0 "[ . 1 . 2]" 1
729 1 69 TYR HA 1 69 TYR QD . . 3.800 2.800 2.047 3.770 . 0 0 "[ . 1 . 2]" 1
730 1 69 TYR HA 1 70 ALA H . . 2.940 2.649 2.521 2.752 . 0 0 "[ . 1 . 2]" 1
731 1 69 TYR HB3 1 70 ALA H . . 3.730 2.590 1.975 3.681 . 0 0 "[ . 1 . 2]" 1
732 1 69 TYR QD 1 70 ALA H . . 4.260 3.448 2.818 4.230 . 0 0 "[ . 1 . 2]" 1
733 1 70 ALA H 1 70 ALA MB . . 2.910 2.331 1.938 2.698 . 0 0 "[ . 1 . 2]" 1
734 1 70 ALA H 1 71 THR H . . 4.590 4.372 3.825 4.563 . 0 0 "[ . 1 . 2]" 1
735 1 70 ALA H 1 71 THR MG . . 4.720 4.661 4.406 4.722 0.002 8 0 "[ . 1 . 2]" 1
736 1 70 ALA HA 1 71 THR H . . 3.080 2.248 2.188 2.385 . 0 0 "[ . 1 . 2]" 1
737 1 70 ALA HA 1 71 THR HA . . 4.590 4.373 4.347 4.412 . 0 0 "[ . 1 . 2]" 1
738 1 70 ALA HA 1 71 THR MG . . 3.640 3.372 3.169 3.593 . 0 0 "[ . 1 . 2]" 1
739 1 70 ALA HA 1 72 GLY H . . 4.110 3.732 3.330 4.097 . 0 0 "[ . 1 . 2]" 1
740 1 70 ALA MB 1 71 THR H . . 3.470 3.146 2.724 3.467 . 0 0 "[ . 1 . 2]" 1
741 1 70 ALA MB 1 71 THR MG . . 4.710 4.299 4.049 4.521 . 0 0 "[ . 1 . 2]" 1
742 1 70 ALA MB 1 72 GLY H . . 3.380 3.000 2.364 3.269 . 0 0 "[ . 1 . 2]" 1
743 1 70 ALA MB 1 72 GLY HA2 . . 4.230 3.709 3.262 3.934 . 0 0 "[ . 1 . 2]" 1
744 1 70 ALA MB 1 72 GLY HA3 . . 5.030 4.836 4.469 5.032 0.002 11 0 "[ . 1 . 2]" 1
745 1 70 ALA MB 1 73 ASN H . . 4.970 4.537 3.966 4.970 0.000 19 0 "[ . 1 . 2]" 1
746 1 71 THR H 1 71 THR HB . . 4.080 3.549 3.482 3.585 . 0 0 "[ . 1 . 2]" 1
747 1 71 THR H 1 71 THR MG . . 3.170 2.174 1.937 2.476 . 0 0 "[ . 1 . 2]" 1
748 1 71 THR H 1 72 GLY HA3 . . 5.500 5.011 4.904 5.476 . 0 0 "[ . 1 . 2]" 1
749 1 71 THR H 1 73 ASN H . . 4.560 3.468 3.132 4.356 . 0 0 "[ . 1 . 2]" 1
750 1 71 THR HA 1 71 THR HB . . 2.980 2.459 2.398 2.581 . 0 0 "[ . 1 . 2]" 1
751 1 71 THR HA 1 71 THR MG . . 3.040 2.521 2.394 2.602 . 0 0 "[ . 1 . 2]" 1
752 1 71 THR HA 1 73 ASN H . . 5.140 4.738 4.378 4.942 . 0 0 "[ . 1 . 2]" 1
753 1 71 THR HA 1 73 ASN HD21 . . 5.500 4.908 4.377 5.501 0.001 20 0 "[ . 1 . 2]" 1
754 1 71 THR HA 1 73 ASN QD . . 4.680 4.475 4.206 4.673 . 0 0 "[ . 1 . 2]" 1
755 1 71 THR HA 1 73 ASN HD22 . . 5.500 5.299 4.418 5.501 0.001 8 0 "[ . 1 . 2]" 1
756 1 71 THR HB 1 72 GLY H . . 4.230 4.142 3.704 4.231 0.001 12 0 "[ . 1 . 2]" 1
757 1 71 THR HB 1 72 GLY HA3 . . 5.130 4.990 4.677 5.130 . 10 0 "[ . 1 . 2]" 1
758 1 71 THR HB 1 73 ASN H . . 4.600 4.261 3.543 4.595 . 0 0 "[ . 1 . 2]" 1
759 1 71 THR HB 1 73 ASN HD21 . . 4.430 3.557 2.535 4.096 . 0 0 "[ . 1 . 2]" 1
760 1 71 THR HB 1 73 ASN QD . . 3.740 3.165 2.145 3.743 0.003 9 0 "[ . 1 . 2]" 1
761 1 71 THR HB 1 73 ASN HD22 . . 4.430 3.644 2.159 4.428 . 0 0 "[ . 1 . 2]" 1
762 1 71 THR MG 1 72 GLY H . . 4.030 3.839 3.594 4.031 0.001 20 0 "[ . 1 . 2]" 1
763 1 71 THR MG 1 73 ASN H . . 4.670 4.185 3.922 4.606 . 0 0 "[ . 1 . 2]" 1
764 1 71 THR MG 1 73 ASN QD . . 4.860 3.221 2.090 4.055 . 0 0 "[ . 1 . 2]" 1
765 1 72 GLY H 1 73 ASN H . . 3.050 2.030 1.900 2.528 . 0 0 "[ . 1 . 2]" 1
766 1 72 GLY H 1 73 ASN QD . . 4.130 3.299 2.926 3.952 . 0 0 "[ . 1 . 2]" 1
767 1 72 GLY HA2 1 73 ASN H . . 3.550 3.370 3.132 3.534 . 0 0 "[ . 1 . 2]" 1
768 1 72 GLY HA2 1 73 ASN QD . . 5.340 4.695 4.060 5.284 . 0 0 "[ . 1 . 2]" 1
769 1 72 GLY HA3 1 73 ASN H . . 3.610 3.318 3.113 3.523 . 0 0 "[ . 1 . 2]" 1
770 1 73 ASN H 1 73 ASN HD21 . . 4.210 2.082 1.899 2.618 . 0 0 "[ . 1 . 2]" 1
771 1 73 ASN H 1 73 ASN HD22 . . 4.210 3.377 2.973 3.701 . 0 0 "[ . 1 . 2]" 1
772 1 73 ASN H 1 74 ASP H . . 4.650 4.562 4.485 4.648 . 0 0 "[ . 1 . 2]" 1
773 1 73 ASN HA 1 74 ASP H . . 2.910 2.700 2.582 2.765 . 0 0 "[ . 1 . 2]" 1
774 1 73 ASN QD 1 74 ASP H . . 5.340 4.731 4.302 5.078 . 0 0 "[ . 1 . 2]" 1
775 1 74 ASP H 1 75 VAL HA . . 5.120 4.956 4.811 5.083 . 0 0 "[ . 1 . 2]" 1
776 1 74 ASP H 1 77 GLU H . . 4.240 3.950 3.672 4.222 . 0 0 "[ . 1 . 2]" 1
777 1 74 ASP H 1 77 GLU HG3 . . 4.480 3.037 2.595 3.737 . 0 0 "[ . 1 . 2]" 1
778 1 74 ASP H 1 78 ASP H . . 4.590 4.423 4.143 4.586 . 0 0 "[ . 1 . 2]" 1
779 1 74 ASP HA 1 75 VAL H . . 2.780 2.604 2.469 2.731 . 0 0 "[ . 1 . 2]" 1
780 1 74 ASP HA 1 75 VAL HA . . 4.550 4.369 4.360 4.379 . 0 0 "[ . 1 . 2]" 1
781 1 74 ASP HA 1 75 VAL HB . . 5.500 4.554 4.458 4.726 . 0 0 "[ . 1 . 2]" 1
782 1 74 ASP HA 1 75 VAL MG1 . . 4.230 4.146 3.863 4.237 0.007 13 0 "[ . 1 . 2]" 1
783 1 74 ASP HA 1 76 ILE H . . 4.530 4.420 4.212 4.528 . 0 0 "[ . 1 . 2]" 1
784 1 74 ASP HA 1 77 GLU HG3 . . 5.010 4.736 4.537 5.013 0.003 17 0 "[ . 1 . 2]" 1
785 1 75 VAL H 1 75 VAL HB . . 2.840 2.599 2.493 2.787 . 0 0 "[ . 1 . 2]" 1
786 1 75 VAL H 1 75 VAL MG1 . . 2.980 1.907 1.859 1.924 . 0 0 "[ . 1 . 2]" 1
787 1 75 VAL H 1 75 VAL MG2 . . 3.850 3.722 3.693 3.741 . 0 0 "[ . 1 . 2]" 1
788 1 75 VAL H 1 76 ILE H . . 3.440 2.381 2.293 2.485 . 0 0 "[ . 1 . 2]" 1
789 1 75 VAL H 1 76 ILE HA . . 5.300 4.955 4.883 5.043 . 0 0 "[ . 1 . 2]" 1
790 1 75 VAL H 1 76 ILE HB . . 4.470 4.278 4.182 4.305 . 0 0 "[ . 1 . 2]" 1
791 1 75 VAL H 1 76 ILE MG . . 5.500 5.494 5.413 5.510 0.010 13 0 "[ . 1 . 2]" 1
792 1 75 VAL H 1 78 ASP H . . 4.760 4.636 4.467 4.762 0.002 8 0 "[ . 1 . 2]" 1
793 1 75 VAL HA 1 75 VAL MG1 . . 3.430 3.207 3.194 3.217 . 0 0 "[ . 1 . 2]" 1
794 1 75 VAL HA 1 75 VAL MG2 . . 2.920 2.276 2.203 2.409 . 0 0 "[ . 1 . 2]" 1
795 1 75 VAL HA 1 76 ILE MD . . 4.800 4.571 4.269 4.786 . 0 0 "[ . 1 . 2]" 1
796 1 75 VAL HA 1 78 ASP H . . 3.650 3.149 2.971 3.366 . 0 0 "[ . 1 . 2]" 1
797 1 75 VAL HA 1 78 ASP HB3 . . 4.050 3.721 3.509 3.993 . 0 0 "[ . 1 . 2]" 1
798 1 75 VAL HA 1 79 ILE H . . 4.650 4.137 3.953 4.440 . 0 0 "[ . 1 . 2]" 1
799 1 75 VAL HA 1 79 ILE MD . . 4.310 3.982 3.754 4.222 . 0 0 "[ . 1 . 2]" 1
800 1 75 VAL HB 1 76 ILE H . . 4.190 4.016 3.870 4.149 . 0 0 "[ . 1 . 2]" 1
801 1 75 VAL HB 1 76 ILE MD . . 4.410 4.180 4.007 4.412 0.002 14 0 "[ . 1 . 2]" 1
802 1 75 VAL HB 1 79 ILE MD . . 4.250 4.198 4.011 4.256 0.006 11 0 "[ . 1 . 2]" 1
803 1 75 VAL MG1 1 76 ILE H . . 3.050 1.929 1.883 2.043 . 0 0 "[ . 1 . 2]" 1
804 1 75 VAL MG1 1 76 ILE HA . . 3.820 3.396 3.185 3.646 . 0 0 "[ . 1 . 2]" 1
805 1 75 VAL MG1 1 77 GLU H . . 4.430 4.375 4.211 4.437 0.007 19 0 "[ . 1 . 2]" 1
806 1 75 VAL MG1 1 78 ASP H . . 5.500 4.746 4.595 5.017 . 0 0 "[ . 1 . 2]" 1
807 1 75 VAL MG1 1 79 ILE MD . . 3.300 2.407 2.096 2.965 . 0 0 "[ . 1 . 2]" 1
808 1 75 VAL MG2 1 76 ILE HA . . 4.130 3.895 3.685 4.024 . 0 0 "[ . 1 . 2]" 1
809 1 75 VAL MG2 1 78 ASP H . . 4.450 4.229 4.096 4.402 . 0 0 "[ . 1 . 2]" 1
810 1 75 VAL MG2 1 79 ILE HA . . 5.500 4.561 4.291 4.784 . 0 0 "[ . 1 . 2]" 1
811 1 75 VAL MG2 1 79 ILE MD . . 3.370 1.962 1.789 2.197 . 0 0 "[ . 1 . 2]" 1
812 1 76 ILE H 1 76 ILE HB . . 2.900 2.202 2.161 2.283 . 0 0 "[ . 1 . 2]" 1
813 1 76 ILE H 1 76 ILE MD . . 3.290 1.909 1.837 1.989 . 0 0 "[ . 1 . 2]" 1
814 1 76 ILE H 1 76 ILE HG13 . . 4.110 3.496 3.100 3.852 . 0 0 "[ . 1 . 2]" 1
815 1 76 ILE H 1 76 ILE MG . . 3.840 3.631 3.602 3.673 . 0 0 "[ . 1 . 2]" 1
816 1 76 ILE H 1 77 GLU H . . 3.260 2.802 2.667 2.947 . 0 0 "[ . 1 . 2]" 1
817 1 76 ILE H 1 78 ASP H . . 4.180 3.931 3.661 4.186 0.006 8 0 "[ . 1 . 2]" 1
818 1 76 ILE H 1 79 ILE MD . . 4.340 3.421 3.236 3.701 . 0 0 "[ . 1 . 2]" 1
819 1 76 ILE HA 1 76 ILE MD . . 3.600 2.805 2.018 3.251 . 0 0 "[ . 1 . 2]" 1
820 1 76 ILE HA 1 76 ILE HG13 . . 4.130 2.266 2.148 2.570 . 0 0 "[ . 1 . 2]" 1
821 1 76 ILE HA 1 76 ILE MG . . 3.250 2.587 2.519 2.638 . 0 0 "[ . 1 . 2]" 1
822 1 76 ILE HA 1 78 ASP H . . 4.770 4.146 3.793 4.558 . 0 0 "[ . 1 . 2]" 1
823 1 76 ILE HA 1 79 ILE H . . 3.870 3.189 3.060 3.352 . 0 0 "[ . 1 . 2]" 1
824 1 76 ILE HA 1 79 ILE HB . . 3.750 2.434 2.170 2.734 . 0 0 "[ . 1 . 2]" 1
825 1 76 ILE HA 1 79 ILE MD . . 3.420 2.010 1.851 2.287 . 0 0 "[ . 1 . 2]" 1
826 1 76 ILE HA 1 79 ILE MG . . 4.290 3.756 3.395 4.045 . 0 0 "[ . 1 . 2]" 1
827 1 76 ILE HA 1 80 LYS H . . 4.630 4.347 3.992 4.631 0.001 16 0 "[ . 1 . 2]" 1
828 1 76 ILE HB 1 76 ILE MD . . 3.210 2.146 1.981 2.516 . 0 0 "[ . 1 . 2]" 1
829 1 76 ILE HB 1 77 GLU H . . 3.430 2.709 2.580 2.933 . 0 0 "[ . 1 . 2]" 1
830 1 76 ILE HB 1 77 GLU HA . . 4.820 4.614 4.530 4.687 . 0 0 "[ . 1 . 2]" 1
831 1 76 ILE HB 1 79 ILE H . . 5.500 5.298 5.178 5.446 . 0 0 "[ . 1 . 2]" 1
832 1 76 ILE HB 1 79 ILE MD . . 4.590 4.335 4.139 4.589 . 0 0 "[ . 1 . 2]" 1
833 1 76 ILE MD 1 77 GLU H . . 4.280 3.950 3.821 4.066 . 0 0 "[ . 1 . 2]" 1
834 1 76 ILE MD 1 79 ILE MD . . 3.670 2.834 2.147 3.311 . 0 0 "[ . 1 . 2]" 1
835 1 76 ILE HG13 1 76 ILE MG . . 3.290 2.619 2.369 2.779 . 0 0 "[ . 1 . 2]" 1
836 1 76 ILE HG13 1 77 GLU H . . 5.500 5.020 4.909 5.205 . 0 0 "[ . 1 . 2]" 1
837 1 76 ILE MG 1 77 GLU H . . 3.420 2.982 2.739 3.342 . 0 0 "[ . 1 . 2]" 1
838 1 76 ILE MG 1 77 GLU HA . . 3.540 3.163 2.998 3.394 . 0 0 "[ . 1 . 2]" 1
839 1 76 ILE MG 1 77 GLU HG3 . . 4.520 3.958 3.634 4.521 0.001 7 0 "[ . 1 . 2]" 1
840 1 76 ILE MG 1 78 ASP H . . 5.500 4.646 4.391 4.980 . 0 0 "[ . 1 . 2]" 1
841 1 76 ILE MG 1 79 ILE H . . 4.760 4.327 4.126 4.464 . 0 0 "[ . 1 . 2]" 1
842 1 76 ILE MG 1 80 LYS H . . 4.710 4.106 3.819 4.460 . 0 0 "[ . 1 . 2]" 1
843 1 76 ILE MG 1 80 LYS HG3 . . 3.420 3.074 2.475 3.428 0.008 9 0 "[ . 1 . 2]" 1
844 1 77 GLU H 1 77 GLU HG3 . . 3.650 2.302 2.038 3.114 . 0 0 "[ . 1 . 2]" 1
845 1 77 GLU H 1 78 ASP H . . 3.210 2.655 2.586 2.735 . 0 0 "[ . 1 . 2]" 1
846 1 77 GLU H 1 78 ASP HA . . 5.300 5.167 5.109 5.242 . 0 0 "[ . 1 . 2]" 1
847 1 77 GLU H 1 79 ILE H . . 4.260 3.966 3.774 4.153 . 0 0 "[ . 1 . 2]" 1
848 1 77 GLU HA 1 77 GLU HG3 . . 4.030 3.592 3.513 3.814 . 0 0 "[ . 1 . 2]" 1
849 1 77 GLU HA 1 79 ILE H . . 4.310 4.099 3.701 4.328 0.018 19 0 "[ . 1 . 2]" 1
850 1 77 GLU HA 1 80 LYS H . . 3.600 3.386 3.190 3.599 . 0 0 "[ . 1 . 2]" 1
851 1 77 GLU HA 1 80 LYS HG3 . . 3.850 3.478 3.123 3.854 0.004 17 0 "[ . 1 . 2]" 1
852 1 78 ASP H 1 79 ILE H . . 3.570 2.399 2.206 2.565 . 0 0 "[ . 1 . 2]" 1
853 1 78 ASP H 1 79 ILE HB . . 4.620 4.421 4.222 4.618 . 0 0 "[ . 1 . 2]" 1
854 1 78 ASP H 1 80 LYS H . . 4.300 4.004 3.710 4.240 . 0 0 "[ . 1 . 2]" 1
855 1 78 ASP HA 1 80 LYS H . . 4.460 4.207 3.804 4.467 0.007 18 0 "[ . 1 . 2]" 1
856 1 78 ASP HA 1 81 SER H . . 4.060 3.141 3.020 3.242 . 0 0 "[ . 1 . 2]" 1
857 1 78 ASP HB3 1 79 ILE H . . 4.070 3.569 3.383 3.860 . 0 0 "[ . 1 . 2]" 1
858 1 78 ASP HB3 1 80 LYS H . . 5.500 5.382 4.998 5.506 0.006 15 0 "[ . 1 . 2]" 1
859 1 78 ASP HB3 1 84 LEU QD . . 5.440 5.057 3.955 5.445 0.005 14 0 "[ . 1 . 2]" 1
860 1 79 ILE H 1 79 ILE HB . . 2.990 2.264 2.152 2.355 . 0 0 "[ . 1 . 2]" 1
861 1 79 ILE H 1 79 ILE MD . . 3.760 3.251 3.079 3.510 . 0 0 "[ . 1 . 2]" 1
862 1 79 ILE H 1 79 ILE HG13 . . 4.160 2.483 2.249 2.720 . 0 0 "[ . 1 . 2]" 1
863 1 79 ILE H 1 79 ILE MG . . 3.780 3.661 3.588 3.698 . 0 0 "[ . 1 . 2]" 1
864 1 79 ILE H 1 80 LYS H . . 3.500 2.525 2.290 2.676 . 0 0 "[ . 1 . 2]" 1
865 1 79 ILE H 1 82 VAL H . . 5.130 4.991 4.816 5.141 0.011 14 0 "[ . 1 . 2]" 1
866 1 79 ILE H 1 82 VAL QG . . 4.730 4.559 3.922 4.733 0.003 6 0 "[ . 1 . 2]" 1
867 1 79 ILE H 1 84 LEU QD . . 5.130 4.910 4.344 5.175 0.045 9 0 "[ . 1 . 2]" 1
868 1 79 ILE HA 1 79 ILE MD . . 4.030 3.815 3.771 3.855 . 0 0 "[ . 1 . 2]" 1
869 1 79 ILE HA 1 79 ILE HG13 . . 3.980 2.576 2.466 2.660 . 0 0 "[ . 1 . 2]" 1
870 1 79 ILE HA 1 79 ILE MG . . 3.450 2.539 2.427 2.655 . 0 0 "[ . 1 . 2]" 1
871 1 79 ILE HA 1 80 LYS HA . . 4.770 4.673 4.645 4.707 . 0 0 "[ . 1 . 2]" 1
872 1 79 ILE HA 1 82 VAL H . . 4.380 3.627 3.383 3.984 . 0 0 "[ . 1 . 2]" 1
873 1 79 ILE HA 1 82 VAL QG . . 5.440 2.703 2.055 3.051 . 0 0 "[ . 1 . 2]" 1
874 1 79 ILE HA 1 84 LEU H . . 4.210 3.316 2.849 3.868 . 0 0 "[ . 1 . 2]" 1
875 1 79 ILE HA 1 84 LEU QD . . 4.060 3.022 2.362 3.415 . 0 0 "[ . 1 . 2]" 1
876 1 79 ILE HB 1 79 ILE MD . . 3.190 2.113 2.017 2.245 . 0 0 "[ . 1 . 2]" 1
877 1 79 ILE HB 1 80 LYS H . . 3.120 2.906 2.733 3.126 0.006 14 0 "[ . 1 . 2]" 1
878 1 79 ILE MD 1 80 LYS H . . 4.710 4.559 4.390 4.716 0.006 19 0 "[ . 1 . 2]" 1
879 1 79 ILE MG 1 80 LYS H . . 3.770 3.437 3.045 3.601 . 0 0 "[ . 1 . 2]" 1
880 1 79 ILE MG 1 80 LYS HA . . 3.690 3.435 3.141 3.631 . 0 0 "[ . 1 . 2]" 1
881 1 79 ILE MG 1 82 VAL H . . 4.750 4.641 4.267 4.758 0.008 13 0 "[ . 1 . 2]" 1
882 1 79 ILE MG 1 83 ASN HA . . 4.890 4.020 3.465 4.786 . 0 0 "[ . 1 . 2]" 1
883 1 79 ILE MG 1 84 LEU H . . 3.840 3.104 2.631 3.729 . 0 0 "[ . 1 . 2]" 1
884 1 79 ILE MG 1 84 LEU HA . . 5.270 4.293 3.764 4.886 . 0 0 "[ . 1 . 2]" 1
885 1 79 ILE MG 1 84 LEU QD . . 3.190 2.565 1.933 3.248 0.058 9 0 "[ . 1 . 2]" 1
886 1 80 LYS H 1 80 LYS HG3 . . 3.380 3.322 3.144 3.383 0.003 19 0 "[ . 1 . 2]" 1
887 1 80 LYS H 1 81 SER H . . 3.660 2.373 2.302 2.440 . 0 0 "[ . 1 . 2]" 1
888 1 80 LYS H 1 82 VAL H . . 4.400 4.155 3.891 4.399 . 0 0 "[ . 1 . 2]" 1
889 1 80 LYS HA 1 82 VAL QG . . 5.200 4.674 4.325 5.056 . 0 0 "[ . 1 . 2]" 1
890 1 80 LYS HA 1 83 ASN H . . 3.700 2.993 2.739 3.509 . 0 0 "[ . 1 . 2]" 1
891 1 80 LYS HA 1 84 LEU H . . 4.670 4.077 3.364 4.392 . 0 0 "[ . 1 . 2]" 1
892 1 80 LYS HG3 1 81 SER H . . 5.500 5.102 4.819 5.316 . 0 0 "[ . 1 . 2]" 1
893 1 81 SER H 1 81 SER HB3 . . 3.680 3.124 2.174 3.634 . 0 0 "[ . 1 . 2]" 1
894 1 81 SER H 1 82 VAL H . . 3.930 2.572 2.221 2.791 . 0 0 "[ . 1 . 2]" 1
895 1 81 SER H 1 82 VAL HB . . 5.500 5.288 4.907 5.679 0.179 19 0 "[ . 1 . 2]" 1
896 1 81 SER H 1 82 VAL QG . . 4.520 3.772 2.950 4.248 . 0 0 "[ . 1 . 2]" 1
897 1 81 SER H 1 83 ASN HA . . 5.500 5.155 5.016 5.416 . 0 0 "[ . 1 . 2]" 1
898 1 81 SER HA 1 82 VAL HA . . 4.730 4.555 4.492 4.608 . 0 0 "[ . 1 . 2]" 1
899 1 82 VAL H 1 82 VAL MG1 . . 3.840 2.264 1.949 3.521 . 0 0 "[ . 1 . 2]" 1
900 1 82 VAL H 1 82 VAL QG . . 3.290 2.079 1.892 2.256 . 0 0 "[ . 1 . 2]" 1
901 1 82 VAL H 1 82 VAL MG2 . . 3.840 3.557 1.900 3.847 0.007 10 0 "[ . 1 . 2]" 1
902 1 82 VAL H 1 83 ASN H . . 3.320 2.291 1.896 2.695 . 0 0 "[ . 1 . 2]" 1
903 1 82 VAL H 1 83 ASN HA . . 4.870 4.167 3.873 4.512 . 0 0 "[ . 1 . 2]" 1
904 1 82 VAL H 1 84 LEU H . . 4.410 3.132 2.839 3.599 . 0 0 "[ . 1 . 2]" 1
905 1 82 VAL HB 1 83 ASN H . . 4.600 4.514 4.225 4.605 0.005 15 0 "[ . 1 . 2]" 1
906 1 82 VAL HB 1 84 LEU H . . 4.880 4.507 3.212 4.885 0.005 3 0 "[ . 1 . 2]" 1
907 1 82 VAL QG 1 83 ASN H . . 3.800 3.232 3.067 3.439 . 0 0 "[ . 1 . 2]" 1
908 1 82 VAL QG 1 84 LEU H . . 3.850 2.098 1.947 2.494 . 0 0 "[ . 1 . 2]" 1
909 1 82 VAL QG 1 84 LEU HA . . 4.950 2.992 2.552 4.126 . 0 0 "[ . 1 . 2]" 1
910 1 82 VAL MG1 1 83 ASN H . . 4.430 3.510 3.159 4.463 0.033 9 0 "[ . 1 . 2]" 1
911 1 82 VAL MG1 1 84 LEU H . . 4.510 2.422 1.963 4.540 0.030 9 0 "[ . 1 . 2]" 1
912 1 82 VAL MG2 1 83 ASN H . . 4.430 4.106 3.186 4.396 . 0 0 "[ . 1 . 2]" 1
913 1 82 VAL MG2 1 84 LEU H . . 4.510 3.525 1.951 4.510 . 0 0 "[ . 1 . 2]" 1
914 1 83 ASN H 1 84 LEU H . . 3.550 2.883 2.731 3.038 . 0 0 "[ . 1 . 2]" 1
915 1 84 LEU H 1 84 LEU HB3 . . 3.600 2.515 2.105 2.979 . 0 0 "[ . 1 . 2]" 1
916 1 84 LEU H 1 84 LEU MD1 . . 4.410 4.073 3.507 4.323 . 0 0 "[ . 1 . 2]" 1
917 1 84 LEU H 1 84 LEU MD2 . . 4.410 4.088 3.462 4.384 . 0 0 "[ . 1 . 2]" 1
918 1 84 LEU HA 1 84 LEU QD . . 4.190 2.542 1.873 2.918 . 0 0 "[ . 1 . 2]" 1
919 1 85 PRO HA 1 86 THR MG . . 4.050 3.714 3.544 3.878 . 0 0 "[ . 1 . 2]" 1
920 1 85 PRO HA 1 89 GLU H . . 5.500 5.378 4.982 5.532 0.032 6 0 "[ . 1 . 2]" 1
921 1 86 THR H 1 86 THR MG . . 3.170 2.362 2.095 2.991 . 0 0 "[ . 1 . 2]" 1
922 1 86 THR H 1 89 GLU HB3 . . 4.460 3.591 3.286 4.067 . 0 0 "[ . 1 . 2]" 1
923 1 86 THR HA 1 87 VAL QG . . 3.880 3.682 3.593 3.799 . 0 0 "[ . 1 . 2]" 1
924 1 86 THR HA 1 89 GLU H . . 4.470 4.285 4.144 4.443 . 0 0 "[ . 1 . 2]" 1
925 1 86 THR HB 1 87 VAL H . . 3.270 2.935 2.662 3.170 . 0 0 "[ . 1 . 2]" 1
926 1 86 THR HB 1 87 VAL QG . . 3.710 3.264 2.991 3.524 . 0 0 "[ . 1 . 2]" 1
927 1 86 THR HB 1 88 GLN H . . 3.420 2.463 2.385 2.544 . 0 0 "[ . 1 . 2]" 1
928 1 86 THR HB 1 88 GLN HB3 . . 5.150 4.920 4.669 5.127 . 0 0 "[ . 1 . 2]" 1
929 1 86 THR HB 1 89 GLU H . . 3.740 3.135 2.930 3.337 . 0 0 "[ . 1 . 2]" 1
930 1 86 THR HB 1 90 TRP H . . 5.150 5.012 4.844 5.142 . 0 0 "[ . 1 . 2]" 1
931 1 86 THR MG 1 87 VAL H . . 3.770 3.721 3.634 3.776 0.006 18 0 "[ . 1 . 2]" 1
932 1 86 THR MG 1 88 GLN H . . 4.210 4.151 4.097 4.215 0.005 15 0 "[ . 1 . 2]" 1
933 1 86 THR MG 1 89 GLU H . . 4.230 4.128 4.021 4.238 0.008 6 0 "[ . 1 . 2]" 1
934 1 87 VAL H 1 87 VAL HB . . 3.270 2.572 2.433 2.680 . 0 0 "[ . 1 . 2]" 1
935 1 87 VAL H 1 87 VAL MG1 . . 3.730 1.919 1.864 2.109 . 0 0 "[ . 1 . 2]" 1
936 1 87 VAL H 1 87 VAL QG . . 2.940 1.913 1.859 2.097 . 0 0 "[ . 1 . 2]" 1
937 1 87 VAL H 1 87 VAL MG2 . . 3.730 3.693 3.677 3.712 . 0 0 "[ . 1 . 2]" 1
938 1 87 VAL H 1 88 GLN H . . 3.720 2.762 2.614 2.892 . 0 0 "[ . 1 . 2]" 1
939 1 87 VAL HA 1 87 VAL MG1 . . 3.370 3.196 3.162 3.218 . 0 0 "[ . 1 . 2]" 1
940 1 87 VAL HA 1 87 VAL QG . . 2.920 2.423 2.344 2.496 . 0 0 "[ . 1 . 2]" 1
941 1 87 VAL HA 1 87 VAL MG2 . . 3.370 2.511 2.412 2.614 . 0 0 "[ . 1 . 2]" 1
942 1 87 VAL HA 1 89 GLU H . . 5.180 4.558 4.080 5.042 . 0 0 "[ . 1 . 2]" 1
943 1 87 VAL HA 1 90 TRP H . . 3.730 3.480 3.202 3.735 0.005 5 0 "[ . 1 . 2]" 1
944 1 87 VAL HA 1 90 TRP HB3 . . 3.220 2.569 2.236 2.902 . 0 0 "[ . 1 . 2]" 1
945 1 87 VAL HA 1 90 TRP HE3 . . 4.310 2.319 2.001 2.846 . 0 0 "[ . 1 . 2]" 1
946 1 87 VAL HA 1 91 LYS HB3 . . 4.730 4.551 4.216 4.732 0.002 19 0 "[ . 1 . 2]" 1
947 1 87 VAL HB 1 88 GLN H . . 4.460 4.257 4.122 4.329 . 0 0 "[ . 1 . 2]" 1
948 1 87 VAL QG 1 88 GLN H . . 3.160 2.268 2.136 2.377 . 0 0 "[ . 1 . 2]" 1
949 1 87 VAL QG 1 88 GLN HA . . 3.640 3.192 3.108 3.292 . 0 0 "[ . 1 . 2]" 1
950 1 87 VAL QG 1 88 GLN QE . . 3.650 2.937 1.912 3.611 . 0 0 "[ . 1 . 2]" 1
951 1 87 VAL QG 1 90 TRP HZ3 . . 4.600 2.870 1.946 4.126 . 0 0 "[ . 1 . 2]" 1
952 1 87 VAL QG 1 91 LYS H . . 4.200 3.757 3.483 3.935 . 0 0 "[ . 1 . 2]" 1
953 1 87 VAL QG 1 91 LYS HB3 . . 3.470 3.238 2.765 3.466 . 0 0 "[ . 1 . 2]" 1
954 1 87 VAL MG1 1 88 GLN H . . 3.770 2.290 2.149 2.404 . 0 0 "[ . 1 . 2]" 1
955 1 87 VAL MG2 1 88 GLN H . . 3.770 3.670 3.370 3.774 0.004 1 0 "[ . 1 . 2]" 1
956 1 88 GLN H 1 88 GLN HB3 . . 3.630 3.562 3.526 3.610 . 0 0 "[ . 1 . 2]" 1
957 1 88 GLN H 1 88 GLN HG3 . . 4.100 3.627 3.378 3.811 . 0 0 "[ . 1 . 2]" 1
958 1 88 GLN H 1 89 GLU H . . 3.230 2.421 2.295 2.556 . 0 0 "[ . 1 . 2]" 1
959 1 88 GLN H 1 90 TRP H . . 4.700 3.656 3.553 3.852 . 0 0 "[ . 1 . 2]" 1
960 1 88 GLN HA 1 88 GLN HG3 . . 3.770 3.709 3.660 3.759 . 0 0 "[ . 1 . 2]" 1
961 1 88 GLN HA 1 90 TRP H . . 4.530 3.986 3.768 4.396 . 0 0 "[ . 1 . 2]" 1
962 1 88 GLN HA 1 91 LYS H . . 3.970 3.669 3.346 3.946 . 0 0 "[ . 1 . 2]" 1
963 1 88 GLN HB3 1 89 GLU H . . 4.080 3.674 3.237 3.984 . 0 0 "[ . 1 . 2]" 1
964 1 89 GLU H 1 89 GLU HB3 . . 4.070 3.480 3.459 3.510 . 0 0 "[ . 1 . 2]" 1
965 1 89 GLU H 1 90 TRP H . . 3.410 2.539 2.276 2.748 . 0 0 "[ . 1 . 2]" 1
966 1 89 GLU H 1 90 TRP HB3 . . 5.500 4.495 4.167 4.873 . 0 0 "[ . 1 . 2]" 1
967 1 89 GLU HB3 1 90 TRP H . . 3.850 3.791 3.546 3.857 0.007 6 0 "[ . 1 . 2]" 1
968 1 89 GLU HB3 1 90 TRP HA . . 4.320 4.283 4.155 4.321 0.001 3 0 "[ . 1 . 2]" 1
969 1 90 TRP H 1 90 TRP HB3 . . 3.440 2.195 2.102 2.361 . 0 0 "[ . 1 . 2]" 1
970 1 90 TRP H 1 90 TRP HE3 . . 4.550 4.171 3.696 4.554 0.004 10 0 "[ . 1 . 2]" 1
971 1 90 TRP H 1 91 LYS H . . 3.980 2.628 2.475 2.787 . 0 0 "[ . 1 . 2]" 1
972 1 90 TRP HA 1 90 TRP HD1 . . 3.710 2.806 2.483 3.215 . 0 0 "[ . 1 . 2]" 1
973 1 90 TRP HA 1 90 TRP HE1 . . 5.500 5.275 4.998 5.497 . 0 0 "[ . 1 . 2]" 1
974 1 90 TRP HA 1 91 LYS HA . . 5.190 4.829 4.767 4.872 . 0 0 "[ . 1 . 2]" 1
975 1 90 TRP HA 1 93 ASN H . . 3.510 3.206 2.900 3.508 . 0 0 "[ . 1 . 2]" 1
976 1 90 TRP HB3 1 91 LYS H . . 3.670 2.459 2.221 2.747 . 0 0 "[ . 1 . 2]" 1
977 1 90 TRP HD1 1 91 LYS H . . 5.280 4.775 4.456 5.152 . 0 0 "[ . 1 . 2]" 1
978 1 90 TRP HE1 1 94 ILE MD . . 4.250 2.512 1.848 3.979 . 0 0 "[ . 1 . 2]" 1
979 1 90 TRP HE1 1 94 ILE MG . . 4.550 4.430 3.519 4.553 0.003 16 0 "[ . 1 . 2]" 1
980 1 90 TRP HE3 1 91 LYS H . . 3.950 3.170 2.236 3.721 . 0 0 "[ . 1 . 2]" 1
981 1 90 TRP HE3 1 91 LYS HA . . 5.080 4.683 3.871 5.077 . 0 0 "[ . 1 . 2]" 1
982 1 90 TRP HE3 1 91 LYS HB3 . . 4.690 3.712 2.618 4.364 . 0 0 "[ . 1 . 2]" 1
983 1 91 LYS H 1 91 LYS HB3 . . 4.120 2.151 2.107 2.241 . 0 0 "[ . 1 . 2]" 1
984 1 91 LYS H 1 91 LYS HG3 . . 4.040 3.960 3.860 4.042 0.002 17 0 "[ . 1 . 2]" 1
985 1 91 LYS H 1 92 SER H . . 3.430 2.785 2.627 2.890 . 0 0 "[ . 1 . 2]" 1
986 1 91 LYS HA 1 91 LYS HG3 . . 4.240 3.620 3.550 3.743 . 0 0 "[ . 1 . 2]" 1
987 1 91 LYS HA 1 92 SER HA . . 5.500 4.683 4.610 4.773 . 0 0 "[ . 1 . 2]" 1
988 1 91 LYS HA 1 94 ILE HB . . 4.450 2.898 2.208 4.443 . 0 0 "[ . 1 . 2]" 1
989 1 91 LYS HA 1 94 ILE MD . . 4.200 2.851 1.926 4.196 . 0 0 "[ . 1 . 2]" 1
990 1 91 LYS HA 1 94 ILE MG . . 4.320 3.960 3.551 4.320 . 0 0 "[ . 1 . 2]" 1
991 1 91 LYS HB3 1 92 SER H . . 4.640 3.931 3.846 4.056 . 0 0 "[ . 1 . 2]" 1
992 1 91 LYS HG3 1 92 SER H . . 3.620 3.306 3.015 3.577 . 0 0 "[ . 1 . 2]" 1
993 1 91 LYS HG3 1 92 SER HA . . 4.200 3.347 3.105 3.554 . 0 0 "[ . 1 . 2]" 1
994 1 92 SER H 1 92 SER HB3 . . 3.050 2.473 2.173 2.787 . 0 0 "[ . 1 . 2]" 1
995 1 93 ASN HA 1 93 ASN QD . . 3.600 2.911 1.992 3.598 . 0 0 "[ . 1 . 2]" 1
996 1 94 ILE H 1 94 ILE HB . . 3.710 2.483 2.205 3.508 . 0 0 "[ . 1 . 2]" 1
997 1 94 ILE H 1 94 ILE MD . . 4.610 3.485 2.379 4.411 . 0 0 "[ . 1 . 2]" 1
998 1 94 ILE H 1 94 ILE HG13 . . 4.070 2.591 1.946 3.529 . 0 0 "[ . 1 . 2]" 1
999 1 94 ILE HA 1 94 ILE MD . . 4.090 3.206 1.976 3.918 . 0 0 "[ . 1 . 2]" 1
1000 1 94 ILE HA 1 94 ILE MG . . 3.240 2.443 2.234 2.582 . 0 0 "[ . 1 . 2]" 1
1001 1 94 ILE HA 1 95 ALA MB . . 4.370 4.086 3.896 4.417 0.047 18 0 "[ . 1 . 2]" 1
1002 1 94 ILE HB 1 94 ILE MD . . 3.690 2.618 2.118 3.201 . 0 0 "[ . 1 . 2]" 1
1003 1 94 ILE MD 1 94 ILE MG . . 3.320 2.021 1.853 2.356 . 0 0 "[ . 1 . 2]" 1
1004 1 94 ILE MG 1 95 ALA H . . 3.370 2.706 1.954 3.367 . 0 0 "[ . 1 . 2]" 1
1005 1 94 ILE MG 1 95 ALA HA . . 4.100 3.780 3.244 4.109 0.009 19 0 "[ . 1 . 2]" 1
1006 1 95 ALA H 1 95 ALA MB . . 3.210 2.538 1.958 2.961 . 0 0 "[ . 1 . 2]" 1
1007 1 95 ALA MB 1 96 ARG H . . 3.430 2.878 1.940 3.484 0.054 16 0 "[ . 1 . 2]" 1
1008 1 96 ARG HE 1 97 TYR QD . . 4.470 3.831 1.974 4.504 0.034 20 0 "[ . 1 . 2]" 1
1009 1 97 TYR H 1 98 LYS H . . 4.740 3.827 2.846 4.523 . 0 0 "[ . 1 . 2]" 1
1010 1 98 LYS HA 1 98 LYS HG3 . . 3.410 2.577 2.000 3.407 . 0 0 "[ . 1 . 2]" 1
1011 1 99 ALA MB 1 100 SER H . . 4.650 2.913 2.015 3.751 . 0 0 "[ . 1 . 2]" 1
1012 1 101 ASN H 1 102 ILE H . . 4.450 3.927 2.206 4.436 . 0 0 "[ . 1 . 2]" 1
1013 1 101 ASN HA 1 102 ILE H . . 3.640 2.613 2.253 3.641 0.001 12 0 "[ . 1 . 2]" 1
1014 1 102 ILE H 1 102 ILE HB . . 3.940 3.226 2.210 3.887 . 0 0 "[ . 1 . 2]" 1
1015 1 102 ILE H 1 103 SER H . . 4.520 3.820 2.139 4.521 0.001 2 0 "[ . 1 . 2]" 1
1016 1 102 ILE HB 1 103 SER H . . 5.280 3.856 2.190 4.646 . 0 0 "[ . 1 . 2]" 1
1017 1 102 ILE MG 1 103 SER H . . 5.020 3.640 1.872 4.367 . 0 0 "[ . 1 . 2]" 1
1018 1 107 VAL HA 1 108 GLU H . . 3.470 2.417 2.183 3.456 . 0 0 "[ . 1 . 2]" 1
1019 1 107 VAL HB 1 108 GLU H . . 4.650 3.978 2.187 4.636 . 0 0 "[ . 1 . 2]" 1
1020 1 107 VAL QG 1 108 GLU H . . 4.810 2.676 1.808 3.682 . 0 0 "[ . 1 . 2]" 1
1021 1 107 VAL MG1 1 108 GLU H . . 5.500 3.438 2.095 4.379 . 0 0 "[ . 1 . 2]" 1
1022 1 107 VAL MG2 1 108 GLU H . . 5.500 3.182 1.846 4.333 . 0 0 "[ . 1 . 2]" 1
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