NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
585961 |
2mtf   |
25159 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2mtf
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 892
_Distance_constraint_stats_list.Viol_count 3115
_Distance_constraint_stats_list.Viol_total 6019.497
_Distance_constraint_stats_list.Viol_max 2.478
_Distance_constraint_stats_list.Viol_rms 0.0989
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0169
_Distance_constraint_stats_list.Viol_average_violations_only 0.0966
_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 10 ARG 0.019 0.007 10 0 "[ . 1 . 2]"
1 11 GLU 0.498 0.069 7 0 "[ . 1 . 2]"
1 12 ASP 0.730 0.069 7 0 "[ . 1 . 2]"
1 13 LEU 0.408 0.052 10 0 "[ . 1 . 2]"
1 17 TRP 59.811 2.478 5 20 [****+****-**********]
1 18 LYS 3.705 0.184 3 0 "[ . 1 . 2]"
1 20 PRO 0.306 0.078 16 0 "[ . 1 . 2]"
1 21 ASP 4.679 0.118 19 0 "[ . 1 . 2]"
1 22 GLU 4.715 0.128 14 0 "[ . 1 . 2]"
1 23 GLU 1.709 0.078 19 0 "[ . 1 . 2]"
1 24 LEU 2.393 0.053 14 0 "[ . 1 . 2]"
1 25 ILE 2.901 0.067 16 0 "[ . 1 . 2]"
1 26 LYS 1.095 0.075 12 0 "[ . 1 . 2]"
1 27 LYS 0.100 0.012 19 0 "[ . 1 . 2]"
1 28 LEU 4.071 0.145 5 0 "[ . 1 . 2]"
1 29 VAL 18.107 0.672 12 11 "[***-.****1 + . **]"
1 30 ASP 0.152 0.024 18 0 "[ . 1 . 2]"
1 31 GLN 7.107 0.468 4 0 "[ . 1 . 2]"
1 32 ILE 31.515 0.931 10 20 [*********+***-******]
1 33 GLU 14.812 0.931 10 20 [*********+***-******]
1 34 PHE 10.221 0.583 9 1 "[ . +1 . 2]"
1 35 TYR 4.911 0.120 16 0 "[ . 1 . 2]"
1 36 PHE 4.395 0.120 16 0 "[ . 1 . 2]"
1 37 SER 1.702 0.084 2 0 "[ . 1 . 2]"
1 38 ASP 0.003 0.003 16 0 "[ . 1 . 2]"
1 39 GLU 3.700 0.197 16 0 "[ . 1 . 2]"
1 40 ASN 4.166 0.118 4 0 "[ . 1 . 2]"
1 41 LEU 7.848 0.210 1 0 "[ . 1 . 2]"
1 42 GLU 7.048 0.269 12 0 "[ . 1 . 2]"
1 43 LYS 6.213 0.210 1 0 "[ . 1 . 2]"
1 44 ASP 3.446 0.148 11 0 "[ . 1 . 2]"
1 45 ALA 3.051 0.148 11 0 "[ . 1 . 2]"
1 46 PHE 0.016 0.016 7 0 "[ . 1 . 2]"
1 47 LEU 2.936 0.127 13 0 "[ . 1 . 2]"
1 48 LEU 0.207 0.110 16 0 "[ . 1 . 2]"
1 50 HIS 0.088 0.025 1 0 "[ . 1 . 2]"
1 51 VAL 0.036 0.024 15 0 "[ . 1 . 2]"
1 58 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 59 VAL 2.612 0.129 17 0 "[ . 1 . 2]"
1 60 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 61 VAL 7.312 0.536 9 2 "[ .- +1 . 2]"
1 63 LEU 8.764 0.546 17 9 "[ .* ** ****-+ 2]"
1 64 LEU 0.876 0.046 2 0 "[ . 1 . 2]"
1 65 THR 8.879 0.536 9 2 "[ .- +1 . 2]"
1 66 SER 2.227 0.098 12 0 "[ . 1 . 2]"
1 67 PHE 0.978 0.082 5 0 "[ . 1 . 2]"
1 69 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 70 VAL 0.997 0.054 10 0 "[ . 1 . 2]"
1 71 LYS 2.255 0.106 20 0 "[ . 1 . 2]"
1 72 HIS 0.414 0.041 10 0 "[ . 1 . 2]"
1 73 LEU 2.355 0.106 20 0 "[ . 1 . 2]"
1 74 THR 1.393 0.099 18 0 "[ . 1 . 2]"
1 75 ARG 0.098 0.044 4 0 "[ . 1 . 2]"
1 76 ASP 0.079 0.044 4 0 "[ . 1 . 2]"
1 77 TRP 1.634 0.126 17 0 "[ . 1 . 2]"
1 78 ARG 1.720 0.084 16 0 "[ . 1 . 2]"
1 79 THR 20.409 1.238 15 15 "[ * ******- * *+* ***]"
1 80 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 81 ALA 79.196 2.478 5 20 [****+-**************]
1 82 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 83 ALA 5.102 0.214 16 0 "[ . 1 . 2]"
1 84 LEU 9.695 0.398 1 0 "[ . 1 . 2]"
1 85 LYS 0.417 0.048 6 0 "[ . 1 . 2]"
1 86 TYR 10.890 0.672 12 10 "[***-.*** 1 + . **]"
1 87 SER 1.915 0.088 5 0 "[ . 1 . 2]"
1 88 VAL 0.696 0.069 4 0 "[ . 1 . 2]"
1 89 VAL 5.464 0.397 16 0 "[ . 1 . 2]"
1 90 LEU 19.352 1.020 1 13 "[+** * * ** ****- *]"
1 91 GLU 3.192 0.313 5 0 "[ . 1 . 2]"
1 92 LEU 17.593 0.398 1 0 "[ . 1 . 2]"
1 93 ASN 5.999 0.181 19 0 "[ . 1 . 2]"
1 94 GLU 3.769 0.114 6 0 "[ . 1 . 2]"
1 95 ASP 4.306 0.199 19 0 "[ . 1 . 2]"
1 96 HIS 9.551 0.199 19 0 "[ . 1 . 2]"
1 97 ARG 3.335 0.124 13 0 "[ . 1 . 2]"
1 98 LYS 0.152 0.045 4 0 "[ . 1 . 2]"
1 99 VAL 34.553 1.754 3 20 [**+-****************]
1 100 ARG 7.690 0.313 5 0 "[ . 1 . 2]"
1 101 ARG 12.308 1.020 1 13 "[+** * * ** ****- *]"
1 102 THR 0.566 0.212 14 0 "[ . 1 . 2]"
1 103 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 104 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 105 VAL 3.080 0.201 7 0 "[ . 1 . 2]"
1 107 LEU 17.773 0.546 17 9 "[ .* ** ****-+ 2]"
1 108 PHE 10.423 0.181 1 0 "[ . 1 . 2]"
1 110 ASN 3.692 0.141 1 0 "[ . 1 . 2]"
1 111 GLU 7.333 0.153 5 0 "[ . 1 . 2]"
1 112 ASN 3.090 0.106 18 0 "[ . 1 . 2]"
1 113 LEU 0.237 0.038 18 0 "[ . 1 . 2]"
1 115 SER 1.818 0.160 7 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 45 ALA H 1 45 ALA HA 2.614 . 3.468 2.870 2.765 2.886 . 0 0 "[ . 1 . 2]" 1
2 1 44 ASP H 1 44 ASP HA 2.764 . 3.719 2.941 2.907 2.949 . 0 0 "[ . 1 . 2]" 1
3 1 44 ASP H 1 44 ASP HB3 2.654 . 3.535 2.745 2.535 3.074 . 0 0 "[ . 1 . 2]" 1
4 1 44 ASP H 1 44 ASP HB2 2.652 . 3.531 2.912 2.645 3.088 . 0 0 "[ . 1 . 2]" 1
5 1 43 LYS H 1 43 LYS HA 2.557 . 3.374 2.939 2.936 2.943 . 0 0 "[ . 1 . 2]" 1
6 1 43 LYS H 1 43 LYS HB3 2.594 . 3.435 3.042 2.324 3.522 0.087 4 0 "[ . 1 . 2]" 1
7 1 43 LYS H 1 43 LYS HG2 2.596 . 3.438 3.472 3.459 3.495 0.057 8 0 "[ . 1 . 2]" 1
8 1 43 LYS H 1 43 LYS HE2 3.086 . 4.276 4.119 3.871 4.281 0.005 8 0 "[ . 1 . 2]" 1
9 1 42 GLU H 1 42 GLU HB3 2.458 . 3.213 3.367 3.292 3.482 0.269 12 0 "[ . 1 . 2]" 1
10 1 42 GLU H 1 42 GLU HG2 2.755 . 3.704 2.595 2.217 3.754 0.050 6 0 "[ . 1 . 2]" 1
11 1 42 GLU H 1 42 GLU HG3 2.853 . 3.870 2.000 1.744 3.885 0.092 16 0 "[ . 1 . 2]" 1
12 1 46 PHE H 1 46 PHE HA 2.876 . 3.910 2.841 2.774 2.893 . 0 0 "[ . 1 . 2]" 1
13 1 46 PHE H 1 46 PHE HB3 2.709 . 3.626 2.710 2.243 2.977 . 0 0 "[ . 1 . 2]" 1
14 1 46 PHE H 1 46 PHE HB2 2.715 . 3.636 3.528 2.580 3.602 . 0 0 "[ . 1 . 2]" 1
15 1 39 GLU H 1 39 GLU HA 2.565 . 3.387 2.813 2.768 2.851 . 0 0 "[ . 1 . 2]" 1
16 1 39 GLU H 1 39 GLU HB2 2.489 . 3.263 2.641 2.416 3.460 0.197 16 0 "[ . 1 . 2]" 1
17 1 39 GLU H 1 39 GLU HG2 2.737 . 3.673 2.283 2.118 3.136 . 0 0 "[ . 1 . 2]" 1
18 1 83 ALA H 1 83 ALA MB 2.451 . 3.202 2.209 2.135 2.245 . 0 0 "[ . 1 . 2]" 1
19 1 83 ALA H 1 83 ALA HA 2.863 . 3.888 2.769 2.757 2.821 . 0 0 "[ . 1 . 2]" 1
20 1 84 LEU H 1 84 LEU HB3 2.559 . 3.378 3.417 3.406 3.438 0.060 20 0 "[ . 1 . 2]" 1
21 1 81 ALA H 1 81 ALA HA 2.809 . 3.795 2.863 2.846 2.902 . 0 0 "[ . 1 . 2]" 1
22 1 84 LEU H 1 84 LEU MD1 2.834 . 3.838 2.279 2.094 2.402 . 0 0 "[ . 1 . 2]" 1
23 1 84 LEU H 1 84 LEU MD2 2.523 . 3.319 3.362 3.351 3.385 0.066 8 0 "[ . 1 . 2]" 1
24 1 84 LEU H 1 84 LEU HA 2.671 . 3.563 2.810 2.778 2.841 . 0 0 "[ . 1 . 2]" 1
25 1 86 TYR H 1 86 TYR HB2 2.881 . 3.919 2.585 2.407 2.670 . 0 0 "[ . 1 . 2]" 1
26 1 86 TYR H 1 86 TYR HB3 2.797 . 3.775 3.697 3.620 3.735 . 0 0 "[ . 1 . 2]" 1
27 1 86 TYR H 1 86 TYR QD 2.539 . 3.345 2.744 2.422 2.814 . 0 0 "[ . 1 . 2]" 1
28 1 87 SER H 1 87 SER HB2 2.292 . 2.949 2.751 2.424 3.009 0.060 12 0 "[ . 1 . 2]" 1
29 1 88 VAL H 1 88 VAL HB 2.895 . 3.942 2.674 2.594 2.726 . 0 0 "[ . 1 . 2]" 1
30 1 88 VAL H 1 88 VAL MG1 2.281 . 2.931 2.047 2.003 2.128 . 0 0 "[ . 1 . 2]" 1
31 1 88 VAL H 1 88 VAL HA 2.360 . 3.056 2.910 2.890 2.921 . 0 0 "[ . 1 . 2]" 1
32 1 89 VAL H 1 89 VAL MG2 2.410 . 3.136 2.050 1.965 2.230 . 0 0 "[ . 1 . 2]" 1
33 1 90 LEU H 1 90 LEU HB3 2.972 . 4.076 3.692 3.667 3.705 . 0 0 "[ . 1 . 2]" 1
34 1 90 LEU H 1 90 LEU HB2 2.912 . 3.972 2.525 2.484 2.571 . 0 0 "[ . 1 . 2]" 1
35 1 90 LEU H 1 90 LEU MD2 3.130 . 4.354 2.056 1.922 2.150 . 0 0 "[ . 1 . 2]" 1
36 1 90 LEU H 1 90 LEU MD1 3.134 . 4.362 4.005 3.948 4.033 . 0 0 "[ . 1 . 2]" 1
37 1 90 LEU H 1 90 LEU HG 3.002 . 4.128 3.996 3.791 4.138 0.010 4 0 "[ . 1 . 2]" 1
38 1 91 GLU H 1 91 GLU HB2 2.789 . 3.762 3.136 3.068 3.199 . 0 0 "[ . 1 . 2]" 1
39 1 91 GLU H 1 91 GLU HG3 2.967 . 4.068 4.006 3.510 4.138 0.070 5 0 "[ . 1 . 2]" 1
40 1 92 LEU H 1 92 LEU MD2 2.839 . 3.847 2.661 2.439 2.815 . 0 0 "[ . 1 . 2]" 1
41 1 92 LEU H 1 92 LEU HG 2.757 . 3.707 3.594 3.303 3.741 0.034 13 0 "[ . 1 . 2]" 1
42 1 92 LEU H 1 92 LEU HB3 2.593 . 3.434 3.467 3.441 3.519 0.085 5 0 "[ . 1 . 2]" 1
43 1 92 LEU H 1 92 LEU HB2 2.834 . 3.838 2.172 2.142 2.241 . 0 0 "[ . 1 . 2]" 1
44 1 93 ASN H 1 93 ASN HB3 3.115 . 4.328 2.457 2.427 2.515 . 0 0 "[ . 1 . 2]" 1
45 1 93 ASN H 1 93 ASN HB2 2.972 . 4.076 2.866 2.798 2.960 . 0 0 "[ . 1 . 2]" 1
46 1 94 GLU H 1 94 GLU HA 2.870 . 3.900 2.612 2.597 2.626 . 0 0 "[ . 1 . 2]" 1
47 1 94 GLU H 1 94 GLU HG2 3.030 . 4.178 3.242 2.426 4.289 0.111 19 0 "[ . 1 . 2]" 1
48 1 94 GLU H 1 94 GLU HB2 2.664 . 3.551 3.020 2.198 3.573 0.022 4 0 "[ . 1 . 2]" 1
49 1 95 ASP H 1 95 ASP HB3 2.862 . 3.886 3.195 2.499 3.633 . 0 0 "[ . 1 . 2]" 1
50 1 95 ASP H 1 95 ASP HB2 2.869 . 3.898 2.416 2.191 2.752 . 0 0 "[ . 1 . 2]" 1
51 1 95 ASP H 1 95 ASP HA 2.639 . 3.510 2.911 2.905 2.915 . 0 0 "[ . 1 . 2]" 1
52 1 96 HIS H 1 96 HIS HB3 3.251 . 4.572 3.955 3.931 3.968 . 0 0 "[ . 1 . 2]" 1
53 1 96 HIS H 1 96 HIS HB2 3.323 . 4.704 3.378 3.330 3.430 . 0 0 "[ . 1 . 2]" 1
54 1 97 ARG H 1 97 ARG HB3 2.768 . 3.726 3.494 3.104 3.584 . 0 0 "[ . 1 . 2]" 1
55 1 97 ARG H 1 97 ARG HB2 2.675 . 3.569 2.503 2.276 3.507 . 0 0 "[ . 1 . 2]" 1
56 1 97 ARG H 1 97 ARG HD3 3.078 . 4.262 4.100 3.852 4.276 0.014 14 0 "[ . 1 . 2]" 1
57 1 97 ARG H 1 97 ARG HG2 2.866 . 3.893 3.069 1.920 3.907 0.014 6 0 "[ . 1 . 2]" 1
58 1 98 LYS H 1 98 LYS HA 2.978 . 4.087 2.979 2.969 2.988 . 0 0 "[ . 1 . 2]" 1
59 1 99 VAL H 1 99 VAL HB 3.077 . 4.261 3.528 3.473 3.581 . 0 0 "[ . 1 . 2]" 1
60 1 99 VAL H 1 99 VAL MG1 2.502 . 3.284 2.264 2.132 2.461 . 0 0 "[ . 1 . 2]" 1
61 1 21 ASP H 1 21 ASP HA 2.195 . 2.797 2.909 2.879 2.915 0.118 19 0 "[ . 1 . 2]" 1
62 1 21 ASP H 1 21 ASP HB2 2.620 . 3.478 2.746 2.424 3.555 0.077 8 0 "[ . 1 . 2]" 1
63 1 22 GLU H 1 22 GLU HA 2.706 . 3.621 2.743 2.723 2.763 . 0 0 "[ . 1 . 2]" 1
64 1 22 GLU H 1 22 GLU HB2 2.583 . 3.417 3.535 3.531 3.545 0.128 14 0 "[ . 1 . 2]" 1
65 1 23 GLU H 1 23 GLU HB3 3.323 2.448 4.198 3.582 3.575 3.588 . 0 0 "[ . 1 . 2]" 1
66 1 23 GLU H 1 23 GLU HB2 2.201 . 2.807 2.627 2.546 2.668 . 0 0 "[ . 1 . 2]" 1
67 1 24 LEU H 1 24 LEU HA 2.739 . 3.677 2.867 2.860 2.879 . 0 0 "[ . 1 . 2]" 1
68 1 24 LEU H 1 24 LEU HB2 2.557 . 3.374 2.426 2.342 2.488 . 0 0 "[ . 1 . 2]" 1
69 1 24 LEU H 1 24 LEU HB3 2.507 . 3.292 2.630 2.573 2.700 . 0 0 "[ . 1 . 2]" 1
70 1 25 ILE H 1 25 ILE HB 2.530 . 3.330 2.537 2.500 2.590 . 0 0 "[ . 1 . 2]" 1
71 1 25 ILE H 1 25 ILE MD 2.637 . 3.506 3.542 3.525 3.564 0.058 5 0 "[ . 1 . 2]" 1
72 1 25 ILE H 1 25 ILE MG 2.778 . 3.743 3.764 3.755 3.771 0.028 20 0 "[ . 1 . 2]" 1
73 1 26 LYS H 1 26 LYS HB2 2.322 . 2.996 2.244 2.098 2.601 . 0 0 "[ . 1 . 2]" 1
74 1 27 LYS H 1 27 LYS HA 2.635 . 3.503 2.826 2.810 2.841 . 0 0 "[ . 1 . 2]" 1
75 1 27 LYS H 1 27 LYS HB2 2.412 . 3.139 2.309 2.150 2.533 . 0 0 "[ . 1 . 2]" 1
76 1 28 LEU H 1 28 LEU HB2 2.771 . 3.731 2.058 2.028 2.181 . 0 0 "[ . 1 . 2]" 1
77 1 28 LEU H 1 28 LEU HB3 2.708 . 3.625 3.345 3.302 3.490 . 0 0 "[ . 1 . 2]" 1
78 1 28 LEU H 1 28 LEU HA 2.831 . 3.833 2.779 2.747 2.816 . 0 0 "[ . 1 . 2]" 1
79 1 28 LEU H 1 28 LEU MD1 2.791 . 3.764 3.383 2.711 3.588 . 0 0 "[ . 1 . 2]" 1
80 1 28 LEU H 1 28 LEU HG 2.597 . 3.440 3.460 3.256 3.511 0.071 18 0 "[ . 1 . 2]" 1
81 1 29 VAL H 1 29 VAL HA 2.885 . 3.925 2.752 2.730 2.769 . 0 0 "[ . 1 . 2]" 1
82 1 29 VAL H 1 29 VAL HB 2.460 . 3.216 2.405 2.303 2.481 . 0 0 "[ . 1 . 2]" 1
83 1 29 VAL H 1 29 VAL MG1 2.323 . 2.998 2.282 2.127 2.595 . 0 0 "[ . 1 . 2]" 1
84 1 30 ASP H 1 30 ASP HA 2.571 . 3.397 2.808 2.781 2.846 . 0 0 "[ . 1 . 2]" 1
85 1 30 ASP H 1 30 ASP HB3 2.565 . 3.387 2.927 2.559 3.407 0.020 5 0 "[ . 1 . 2]" 1
86 1 30 ASP H 1 30 ASP HB2 2.623 . 3.483 2.275 2.093 2.521 . 0 0 "[ . 1 . 2]" 1
87 1 31 GLN H 1 31 GLN HA 2.627 . 3.489 2.846 2.829 2.861 . 0 0 "[ . 1 . 2]" 1
88 1 31 GLN H 1 31 GLN HB3 2.613 . 3.466 3.374 3.095 3.563 0.097 16 0 "[ . 1 . 2]" 1
89 1 31 GLN H 1 31 GLN HB2 2.524 . 3.320 2.151 2.075 2.575 . 0 0 "[ . 1 . 2]" 1
90 1 32 ILE H 1 32 ILE HA 2.883 . 3.922 2.819 2.805 2.836 . 0 0 "[ . 1 . 2]" 1
91 1 32 ILE H 1 32 ILE HB 2.503 . 3.286 2.829 2.739 2.915 . 0 0 "[ . 1 . 2]" 1
92 1 32 ILE H 1 32 ILE MD 2.679 . 3.576 2.369 2.276 2.500 . 0 0 "[ . 1 . 2]" 1
93 1 32 ILE H 1 32 ILE HG13 2.876 . 3.910 3.467 3.439 3.518 . 0 0 "[ . 1 . 2]" 1
94 1 32 ILE H 1 32 ILE HG12 2.697 . 3.607 1.922 1.889 1.967 . 0 0 "[ . 1 . 2]" 1
95 1 33 GLU H 1 33 GLU HA 2.865 . 3.891 2.758 2.733 2.773 . 0 0 "[ . 1 . 2]" 1
96 1 34 PHE H 1 34 PHE HA 2.674 . 3.568 2.903 2.898 2.911 . 0 0 "[ . 1 . 2]" 1
97 1 34 PHE H 1 34 PHE HB2 2.636 . 3.505 2.860 2.634 2.986 . 0 0 "[ . 1 . 2]" 1
98 1 34 PHE H 1 34 PHE HB3 2.631 . 3.496 2.327 2.210 2.541 . 0 0 "[ . 1 . 2]" 1
99 1 34 PHE H 1 34 PHE QD 3.453 . 4.943 4.023 3.897 4.217 . 0 0 "[ . 1 . 2]" 1
100 1 36 PHE H 1 36 PHE HB3 2.788 . 3.759 2.741 2.222 3.259 . 0 0 "[ . 1 . 2]" 1
101 1 36 PHE H 1 36 PHE HB2 2.797 . 3.775 2.624 2.077 3.681 . 0 0 "[ . 1 . 2]" 1
102 1 63 LEU H 1 63 LEU HG 2.884 . 3.924 3.526 2.936 3.982 0.058 2 0 "[ . 1 . 2]" 1
103 1 63 LEU H 1 63 LEU MD1 3.032 . 4.181 4.202 4.136 4.235 0.054 8 0 "[ . 1 . 2]" 1
104 1 63 LEU H 1 63 LEU MD2 3.171 . 4.428 3.749 3.207 4.163 . 0 0 "[ . 1 . 2]" 1
105 1 63 LEU H 1 63 LEU HB2 2.862 . 3.886 3.280 3.041 3.561 . 0 0 "[ . 1 . 2]" 1
106 1 63 LEU H 1 63 LEU HB3 2.885 . 3.926 2.194 2.119 2.300 . 0 0 "[ . 1 . 2]" 1
107 1 63 LEU H 1 63 LEU HA 2.921 . 3.987 2.875 2.846 2.887 . 0 0 "[ . 1 . 2]" 1
108 1 64 LEU H 1 64 LEU HB2 2.756 . 3.705 2.324 2.172 3.669 . 0 0 "[ . 1 . 2]" 1
109 1 64 LEU H 1 64 LEU HB3 2.744 . 3.685 3.493 2.943 3.606 . 0 0 "[ . 1 . 2]" 1
110 1 64 LEU H 1 64 LEU MD1 2.900 . 3.951 2.085 1.820 2.700 0.029 17 0 "[ . 1 . 2]" 1
111 1 64 LEU H 1 64 LEU MD2 2.732 . 3.665 3.503 1.872 3.703 0.038 19 0 "[ . 1 . 2]" 1
112 1 64 LEU H 1 64 LEU HG 2.977 . 4.085 3.969 3.737 4.109 0.024 12 0 "[ . 1 . 2]" 1
113 1 97 ARG H 1 97 ARG HD2 3.078 . 4.262 4.273 4.182 4.297 0.035 2 0 "[ . 1 . 2]" 1
114 1 65 THR H 1 65 THR HA 2.708 . 3.625 2.832 2.789 2.866 . 0 0 "[ . 1 . 2]" 1
115 1 66 SER H 1 66 SER HB2 2.605 . 3.453 3.025 2.701 3.462 0.009 7 0 "[ . 1 . 2]" 1
116 1 66 SER H 1 66 SER HA 2.802 . 3.783 2.916 2.870 2.945 . 0 0 "[ . 1 . 2]" 1
117 1 67 PHE H 1 67 PHE HB3 2.513 . 3.302 2.449 2.389 2.505 . 0 0 "[ . 1 . 2]" 1
118 1 67 PHE H 1 67 PHE HA 2.936 . 4.014 2.867 2.795 2.917 . 0 0 "[ . 1 . 2]" 1
119 1 69 LYS H 1 69 LYS HB3 2.822 . 3.818 3.197 2.837 3.624 . 0 0 "[ . 1 . 2]" 1
120 1 70 VAL H 1 70 VAL HB 2.923 . 3.991 2.317 2.194 2.396 . 0 0 "[ . 1 . 2]" 1
121 1 70 VAL H 1 70 VAL MG2 2.801 . 3.782 2.710 2.532 2.902 . 0 0 "[ . 1 . 2]" 1
122 1 70 VAL H 1 70 VAL MG1 3.046 . 4.206 3.683 3.559 3.740 . 0 0 "[ . 1 . 2]" 1
123 1 71 LYS H 1 71 LYS HB3 2.809 . 3.796 3.014 2.554 3.589 . 0 0 "[ . 1 . 2]" 1
124 1 71 LYS H 1 71 LYS HB2 2.769 . 3.728 3.197 2.503 3.607 . 0 0 "[ . 1 . 2]" 1
125 1 72 HIS H 1 72 HIS HA 2.779 . 3.744 2.819 2.772 2.861 . 0 0 "[ . 1 . 2]" 1
126 1 72 HIS H 1 72 HIS HB3 2.527 . 3.325 2.927 2.535 3.328 0.003 3 0 "[ . 1 . 2]" 1
127 1 73 LEU H 1 73 LEU HB3 2.890 . 3.934 3.604 3.572 3.648 . 0 0 "[ . 1 . 2]" 1
128 1 73 LEU H 1 73 LEU HB2 2.918 . 3.982 2.594 2.424 2.744 . 0 0 "[ . 1 . 2]" 1
129 1 73 LEU H 1 73 LEU HA 2.898 . 3.948 2.874 2.803 2.909 . 0 0 "[ . 1 . 2]" 1
130 1 73 LEU H 1 73 LEU MD1 2.997 . 4.120 3.307 3.110 3.520 . 0 0 "[ . 1 . 2]" 1
131 1 73 LEU H 1 73 LEU MD2 2.679 . 3.576 3.489 3.177 3.618 0.042 5 0 "[ . 1 . 2]" 1
132 1 110 ASN H 1 110 ASN HA 2.653 . 3.533 2.934 2.925 2.943 . 0 0 "[ . 1 . 2]" 1
133 1 110 ASN H 1 110 ASN HB2 2.639 . 3.510 2.679 2.376 3.577 0.067 12 0 "[ . 1 . 2]" 1
134 1 111 GLU H 1 111 GLU HA 2.553 . 3.368 2.853 2.797 2.907 . 0 0 "[ . 1 . 2]" 1
135 1 111 GLU H 1 111 GLU HB3 2.299 . 2.960 2.392 2.367 2.427 . 0 0 "[ . 1 . 2]" 1
136 1 111 GLU H 1 111 GLU HB2 2.417 . 3.147 2.623 2.559 2.700 . 0 0 "[ . 1 . 2]" 1
137 1 112 ASN H 1 112 ASN HA 2.722 . 3.648 2.855 2.276 2.942 . 0 0 "[ . 1 . 2]" 1
138 1 112 ASN H 1 112 ASN HB2 2.844 . 3.855 2.753 2.086 3.726 . 0 0 "[ . 1 . 2]" 1
139 1 113 LEU H 1 113 LEU HA 2.599 . 3.443 2.869 2.765 2.947 . 0 0 "[ . 1 . 2]" 1
140 1 113 LEU H 1 113 LEU HB3 2.296 . 2.955 2.783 2.367 2.969 0.014 5 0 "[ . 1 . 2]" 1
141 1 113 LEU H 1 113 LEU HB2 2.659 . 3.543 2.676 2.142 3.573 0.030 9 0 "[ . 1 . 2]" 1
142 1 115 SER H 1 115 SER HA 2.047 . 2.571 2.585 2.273 2.731 0.160 7 0 "[ . 1 . 2]" 1
143 1 115 SER H 1 115 SER HB3 2.666 . 3.555 3.087 2.233 3.570 0.015 6 0 "[ . 1 . 2]" 1
144 1 115 SER H 1 115 SER HB2 2.644 . 3.518 2.962 2.120 3.532 0.014 8 0 "[ . 1 . 2]" 1
145 1 107 LEU H 1 107 LEU HA 2.725 . 3.653 2.896 2.853 2.912 . 0 0 "[ . 1 . 2]" 1
146 1 107 LEU H 1 107 LEU HB3 3.278 2.629 3.927 3.486 3.303 3.616 . 0 0 "[ . 1 . 2]" 1
147 1 107 LEU H 1 107 LEU HB2 2.390 . 3.104 3.300 3.261 3.337 0.233 20 0 "[ . 1 . 2]" 1
148 1 107 LEU H 1 107 LEU MD1 2.902 . 3.955 2.246 1.981 2.455 . 0 0 "[ . 1 . 2]" 1
149 1 108 PHE H 1 108 PHE HA 2.959 . 4.054 2.912 2.900 2.920 . 0 0 "[ . 1 . 2]" 1
150 1 108 PHE H 1 108 PHE HB3 3.048 . 4.209 3.677 3.589 3.736 . 0 0 "[ . 1 . 2]" 1
151 1 108 PHE H 1 108 PHE HB2 2.949 . 4.036 3.621 3.569 3.650 . 0 0 "[ . 1 . 2]" 1
152 1 108 PHE H 1 108 PHE QD 2.946 . 4.031 3.112 2.894 3.148 . 0 0 "[ . 1 . 2]" 1
153 1 108 PHE H 1 108 PHE QE 3.602 . 5.224 4.160 4.096 4.190 . 0 0 "[ . 1 . 2]" 1
154 1 105 VAL H 1 105 VAL HB 2.535 . 3.339 3.399 3.066 3.540 0.201 7 0 "[ . 1 . 2]" 1
155 1 103 THR H 1 103 THR HB 2.709 . 3.626 3.341 3.081 3.537 . 0 0 "[ . 1 . 2]" 1
156 1 103 THR H 1 103 THR MG 3.003 . 4.130 2.183 1.959 2.401 . 0 0 "[ . 1 . 2]" 1
157 1 102 THR H 1 102 THR HA 2.791 . 3.765 2.891 2.785 2.948 . 0 0 "[ . 1 . 2]" 1
158 1 102 THR H 1 102 THR HB 2.753 . 3.700 3.569 2.767 3.739 0.039 1 0 "[ . 1 . 2]" 1
159 1 102 THR H 1 102 THR MG 2.542 . 3.349 2.379 1.902 3.077 . 0 0 "[ . 1 . 2]" 1
160 1 101 ARG H 1 101 ARG HB3 2.773 . 3.734 3.429 2.969 3.744 0.010 10 0 "[ . 1 . 2]" 1
161 1 101 ARG H 1 101 ARG HB2 2.908 . 3.965 2.731 2.203 3.675 . 0 0 "[ . 1 . 2]" 1
162 1 101 ARG H 1 101 ARG HA 2.830 . 3.831 2.939 2.916 2.943 . 0 0 "[ . 1 . 2]" 1
163 1 100 ARG H 1 100 ARG HB2 3.011 . 4.144 3.030 2.615 3.756 . 0 0 "[ . 1 . 2]" 1
164 1 74 THR H 1 74 THR HA 2.890 . 3.934 2.886 2.829 2.945 . 0 0 "[ . 1 . 2]" 1
165 1 74 THR H 1 74 THR HB 3.201 . 4.482 3.269 3.008 3.422 . 0 0 "[ . 1 . 2]" 1
166 1 75 ARG H 1 75 ARG HB2 2.929 . 4.002 2.545 2.088 3.631 . 0 0 "[ . 1 . 2]" 1
167 1 75 ARG H 1 75 ARG HB3 2.606 . 3.455 3.039 2.569 3.461 0.006 8 0 "[ . 1 . 2]" 1
168 1 75 ARG H 1 75 ARG HD3 3.340 . 4.735 4.174 2.934 4.739 0.004 6 0 "[ . 1 . 2]" 1
169 1 76 ASP H 1 76 ASP HA 2.850 . 3.865 2.894 2.824 2.946 . 0 0 "[ . 1 . 2]" 1
170 1 76 ASP H 1 76 ASP HB2 2.855 . 3.874 2.375 2.076 2.782 . 0 0 "[ . 1 . 2]" 1
171 1 77 TRP H 1 77 TRP HB3 2.941 . 4.022 3.553 3.514 3.593 . 0 0 "[ . 1 . 2]" 1
172 1 77 TRP H 1 77 TRP HB2 2.901 . 3.953 2.390 2.224 2.640 . 0 0 "[ . 1 . 2]" 1
173 1 77 TRP H 1 77 TRP HD1 2.817 . 3.809 3.170 2.639 3.768 . 0 0 "[ . 1 . 2]" 1
174 1 78 ARG H 1 78 ARG HB2 3.157 . 4.403 3.354 2.106 3.608 . 0 0 "[ . 1 . 2]" 1
175 1 78 ARG H 1 78 ARG HB3 2.975 . 4.081 2.934 2.732 3.521 . 0 0 "[ . 1 . 2]" 1
176 1 78 ARG H 1 78 ARG HD3 3.184 . 4.451 3.643 2.180 4.436 . 0 0 "[ . 1 . 2]" 1
177 1 78 ARG H 1 78 ARG HD2 3.214 . 4.505 3.733 2.248 4.523 0.018 2 0 "[ . 1 . 2]" 1
178 1 78 ARG H 1 78 ARG HG3 2.836 . 3.842 3.322 2.301 3.926 0.084 16 0 "[ . 1 . 2]" 1
179 1 78 ARG H 1 78 ARG HG2 2.955 . 4.046 2.190 1.806 4.099 0.058 12 0 "[ . 1 . 2]" 1
180 1 17 TRP H 1 17 TRP HB3 2.360 . 3.056 2.487 2.229 2.832 . 0 0 "[ . 1 . 2]" 1
181 1 18 LYS H 1 18 LYS HB2 2.784 . 3.753 2.407 2.105 3.579 . 0 0 "[ . 1 . 2]" 1
182 1 18 LYS H 1 18 LYS HB3 2.593 . 3.434 2.887 2.463 3.439 0.005 18 0 "[ . 1 . 2]" 1
183 1 13 LEU H 1 13 LEU HA 2.437 . 3.180 2.818 2.754 2.943 . 0 0 "[ . 1 . 2]" 1
184 1 13 LEU H 1 13 LEU HB2 2.089 . 2.635 2.282 2.179 2.526 . 0 0 "[ . 1 . 2]" 1
185 1 13 LEU H 1 13 LEU MD2 2.870 . 3.899 2.348 1.943 3.791 . 0 0 "[ . 1 . 2]" 1
186 1 12 ASP H 1 12 ASP HA 2.545 . 3.355 2.911 2.778 2.948 . 0 0 "[ . 1 . 2]" 1
187 1 12 ASP H 1 12 ASP HB2 2.754 . 3.702 2.969 2.377 3.724 0.022 15 0 "[ . 1 . 2]" 1
188 1 12 ASP H 1 12 ASP HB3 2.623 . 3.483 3.138 2.657 3.485 0.002 5 0 "[ . 1 . 2]" 1
189 1 59 VAL H 1 59 VAL HB 3.022 . 4.163 2.516 2.422 2.600 . 0 0 "[ . 1 . 2]" 1
190 1 59 VAL H 1 59 VAL MG1 3.034 . 4.185 3.796 3.757 3.837 . 0 0 "[ . 1 . 2]" 1
191 1 59 VAL H 1 59 VAL MG2 2.779 . 3.744 2.481 2.346 2.634 . 0 0 "[ . 1 . 2]" 1
192 1 61 VAL H 1 61 VAL HB 2.938 . 4.017 2.333 2.199 2.483 . 0 0 "[ . 1 . 2]" 1
193 1 61 VAL H 1 61 VAL MG1 2.905 . 3.960 2.615 2.371 3.765 . 0 0 "[ . 1 . 2]" 1
194 1 38 ASP H 1 38 ASP HB2 2.831 . 3.833 3.466 2.297 3.608 . 0 0 "[ . 1 . 2]" 1
195 1 38 ASP H 1 38 ASP HB3 2.730 . 3.661 2.644 2.215 2.875 . 0 0 "[ . 1 . 2]" 1
196 1 38 ASP H 1 38 ASP HA 2.437 . 3.179 2.698 2.677 2.720 . 0 0 "[ . 1 . 2]" 1
197 1 40 ASN H 1 40 ASN HB3 2.818 . 3.811 3.352 2.688 3.613 . 0 0 "[ . 1 . 2]" 1
198 1 40 ASN H 1 40 ASN HB2 2.841 . 3.850 2.318 2.187 2.569 . 0 0 "[ . 1 . 2]" 1
199 1 40 ASN H 1 40 ASN HA 2.731 . 3.663 2.907 2.895 2.912 . 0 0 "[ . 1 . 2]" 1
200 1 41 LEU H 1 41 LEU HA 2.914 . 3.975 2.822 2.771 2.843 . 0 0 "[ . 1 . 2]" 1
201 1 41 LEU H 1 41 LEU HG 2.676 . 3.571 3.557 3.479 3.589 0.018 5 0 "[ . 1 . 2]" 1
202 1 41 LEU H 1 41 LEU MD2 2.746 . 3.689 2.299 2.158 2.454 . 0 0 "[ . 1 . 2]" 1
203 1 41 LEU H 1 41 LEU HB3 2.885 . 3.925 3.417 3.351 3.446 . 0 0 "[ . 1 . 2]" 1
204 1 110 ASN H 1 111 GLU H 2.809 . 3.795 2.106 2.073 2.129 . 0 0 "[ . 1 . 2]" 1
205 1 112 ASN H 1 113 LEU H 3.098 . 4.298 3.743 2.582 4.308 0.010 14 0 "[ . 1 . 2]" 1
206 1 111 GLU H 1 112 ASN H 2.916 . 3.979 2.458 2.259 2.636 . 0 0 "[ . 1 . 2]" 1
207 1 110 ASN HA 1 111 GLU H 2.738 . 3.675 3.467 3.458 3.478 . 0 0 "[ . 1 . 2]" 1
208 1 112 ASN HA 1 113 LEU H 2.296 . 2.955 2.372 2.135 2.976 0.021 18 0 "[ . 1 . 2]" 1
209 1 35 TYR H 1 35 TYR HB3 2.793 . 3.768 2.168 2.016 2.514 . 0 0 "[ . 1 . 2]" 1
210 1 112 ASN HB3 1 113 LEU H 3.205 . 4.489 4.162 3.539 4.527 0.038 18 0 "[ . 1 . 2]" 1
211 1 112 ASN HB2 1 113 LEU H 3.325 . 4.707 4.515 4.083 4.665 . 0 0 "[ . 1 . 2]" 1
212 1 110 ASN H 1 111 GLU HB3 3.007 . 4.137 4.238 4.200 4.278 0.141 1 0 "[ . 1 . 2]" 1
213 1 110 ASN H 1 111 GLU HB2 3.176 . 4.437 4.468 4.458 4.482 0.045 14 0 "[ . 1 . 2]" 1
214 1 111 GLU HB3 1 112 ASN H 2.866 . 3.893 3.072 2.989 3.138 . 0 0 "[ . 1 . 2]" 1
215 1 111 GLU HB2 1 112 ASN H 2.968 . 4.069 4.130 4.106 4.168 0.099 4 0 "[ . 1 . 2]" 1
216 1 107 LEU H 1 108 PHE H 3.230 . 4.534 2.006 1.890 2.230 0.036 6 0 "[ . 1 . 2]" 1
217 1 36 PHE H 1 37 SER H 2.693 . 3.599 2.677 2.288 2.862 . 0 0 "[ . 1 . 2]" 1
218 1 37 SER H 1 40 ASN H 3.218 . 4.513 4.259 4.012 4.509 . 0 0 "[ . 1 . 2]" 1
219 1 107 LEU HG 1 108 PHE H 3.212 . 4.501 4.110 4.037 4.159 . 0 0 "[ . 1 . 2]" 1
220 1 107 LEU HB3 1 108 PHE H 2.997 . 4.119 4.093 4.026 4.140 0.021 6 0 "[ . 1 . 2]" 1
221 1 107 LEU MD1 1 108 PHE H 2.984 . 4.097 3.670 3.592 3.699 . 0 0 "[ . 1 . 2]" 1
222 1 107 LEU MD2 1 108 PHE H 3.194 . 4.469 1.798 1.785 1.806 0.134 6 0 "[ . 1 . 2]" 1
223 1 93 ASN H 1 96 HIS H 3.315 . 4.688 4.675 4.602 4.715 0.027 9 0 "[ . 1 . 2]" 1
224 1 96 HIS H 1 98 LYS H 3.269 . 4.605 4.043 3.992 4.096 . 0 0 "[ . 1 . 2]" 1
225 1 95 ASP H 1 97 ARG H 2.914 . 3.976 3.072 3.040 3.138 . 0 0 "[ . 1 . 2]" 1
226 1 97 ARG H 1 98 LYS H 2.441 . 3.186 2.276 2.225 2.328 . 0 0 "[ . 1 . 2]" 1
227 1 93 ASN H 1 97 ARG H 3.198 . 4.477 3.913 3.792 4.023 . 0 0 "[ . 1 . 2]" 1
228 1 96 HIS H 1 97 ARG H 2.834 . 3.838 2.653 2.620 2.682 . 0 0 "[ . 1 . 2]" 1
229 1 95 ASP H 1 96 HIS H 2.486 . 3.258 2.735 2.694 2.773 . 0 0 "[ . 1 . 2]" 1
230 1 94 GLU H 1 95 ASP H 3.231 . 4.536 3.326 3.287 3.345 . 0 0 "[ . 1 . 2]" 1
231 1 93 ASN H 1 96 HIS HD2 3.264 . 4.596 4.660 4.646 4.670 0.074 7 0 "[ . 1 . 2]" 1
232 1 91 GLU HA 1 92 LEU H 2.397 . 3.115 2.136 2.125 2.149 . 0 0 "[ . 1 . 2]" 1
233 1 93 ASN HA 1 94 GLU H 3.011 . 4.144 2.286 2.270 2.308 . 0 0 "[ . 1 . 2]" 1
234 1 86 TYR HA 1 87 SER H 3.190 . 4.462 3.052 3.001 3.177 . 0 0 "[ . 1 . 2]" 1
235 1 96 HIS HA 1 97 ARG H 3.083 . 4.271 2.741 2.701 2.795 . 0 0 "[ . 1 . 2]" 1
236 1 95 ASP HA 1 96 HIS H 3.053 . 4.218 2.893 2.861 2.914 . 0 0 "[ . 1 . 2]" 1
237 1 95 ASP H 1 96 HIS HA 3.120 . 4.337 4.520 4.513 4.536 0.199 19 0 "[ . 1 . 2]" 1
238 1 94 GLU HA 1 95 ASP H 2.890 . 3.934 3.585 3.572 3.594 . 0 0 "[ . 1 . 2]" 1
239 1 94 GLU HA 1 96 HIS H 3.230 . 4.534 3.362 3.335 3.386 . 0 0 "[ . 1 . 2]" 1
240 1 86 TYR HB2 1 87 SER H 3.497 . 5.025 3.904 3.725 3.958 . 0 0 "[ . 1 . 2]" 1
241 1 94 GLU HG2 1 95 ASP H 2.895 . 3.943 2.966 1.998 3.989 0.046 6 0 "[ . 1 . 2]" 1
242 1 94 GLU HB2 1 95 ASP H 2.724 . 3.651 3.600 3.508 3.686 0.035 6 0 "[ . 1 . 2]" 1
243 1 93 ASN HB2 1 94 GLU H 3.050 . 4.213 3.752 3.683 3.796 . 0 0 "[ . 1 . 2]" 1
244 1 92 LEU HB3 1 96 HIS H 3.046 . 4.206 3.817 3.783 3.896 . 0 0 "[ . 1 . 2]" 1
245 1 92 LEU HB3 1 93 ASN H 2.783 . 3.751 2.841 2.619 3.000 . 0 0 "[ . 1 . 2]" 1
246 1 92 LEU MD1 1 93 ASN H 3.324 . 4.705 3.249 3.098 3.636 . 0 0 "[ . 1 . 2]" 1
247 1 93 ASN H 1 96 HIS HA 3.311 . 4.681 3.464 3.411 3.520 . 0 0 "[ . 1 . 2]" 1
248 1 87 SER H 1 88 VAL H 3.368 . 4.786 4.022 3.896 4.129 . 0 0 "[ . 1 . 2]" 1
249 1 35 TYR H 1 36 PHE H 2.771 . 3.731 2.749 2.476 2.923 . 0 0 "[ . 1 . 2]" 1
250 1 65 THR H 1 66 SER H 2.639 . 3.510 2.548 2.422 2.681 . 0 0 "[ . 1 . 2]" 1
251 1 83 ALA H 1 84 LEU H 2.900 . 3.951 2.872 2.745 2.994 . 0 0 "[ . 1 . 2]" 1
252 1 84 LEU H 1 86 TYR H 3.330 . 4.716 4.062 3.937 4.170 . 0 0 "[ . 1 . 2]" 1
253 1 33 GLU HA 1 36 PHE H 2.900 . 3.951 3.928 3.759 3.977 0.026 11 0 "[ . 1 . 2]" 1
254 1 83 ALA HA 1 84 LEU H 3.298 . 4.657 3.558 3.538 3.573 . 0 0 "[ . 1 . 2]" 1
255 1 35 TYR HB3 1 36 PHE H 2.936 . 4.013 3.322 2.846 4.133 0.120 16 0 "[ . 1 . 2]" 1
256 1 64 LEU HB2 1 65 THR H 3.165 . 4.417 3.026 2.817 4.161 . 0 0 "[ . 1 . 2]" 1
257 1 83 ALA MB 1 84 LEU H 2.778 . 3.743 2.435 2.320 2.579 . 0 0 "[ . 1 . 2]" 1
258 1 32 ILE MG 1 36 PHE H 2.969 . 4.071 3.788 3.409 4.102 0.031 10 0 "[ . 1 . 2]" 1
259 1 36 PHE H 1 41 LEU MD2 3.065 . 4.239 3.982 3.919 4.048 . 0 0 "[ . 1 . 2]" 1
260 1 64 LEU MD1 1 65 THR H 3.197 . 4.474 4.107 3.411 4.407 . 0 0 "[ . 1 . 2]" 1
261 1 73 LEU H 1 74 THR H 2.504 . 3.288 2.867 2.669 3.049 . 0 0 "[ . 1 . 2]" 1
262 1 66 SER H 1 67 PHE H 2.369 . 3.070 2.597 2.464 2.761 . 0 0 "[ . 1 . 2]" 1
263 1 71 LYS HA 1 74 THR H 3.016 . 4.153 3.836 3.349 4.163 0.010 16 0 "[ . 1 . 2]" 1
264 1 65 THR HA 1 66 SER H 3.332 . 4.720 3.497 3.399 3.541 . 0 0 "[ . 1 . 2]" 1
265 1 65 THR HB 1 66 SER H 2.962 . 4.059 3.138 2.738 3.525 . 0 0 "[ . 1 . 2]" 1
266 1 73 LEU HA 1 74 THR H 3.058 . 4.227 3.557 3.549 3.574 . 0 0 "[ . 1 . 2]" 1
267 1 64 LEU HA 1 66 SER H 3.226 . 4.527 4.259 3.477 4.533 0.006 9 0 "[ . 1 . 2]" 1
268 1 73 LEU HB3 1 74 THR H 2.865 . 3.891 3.097 2.822 3.372 . 0 0 "[ . 1 . 2]" 1
269 1 73 LEU HB2 1 74 THR H 2.966 . 4.066 1.893 1.846 1.970 0.020 15 0 "[ . 1 . 2]" 1
270 1 65 THR MG 1 66 SER H 2.963 . 4.060 4.118 3.933 4.158 0.098 12 0 "[ . 1 . 2]" 1
271 1 43 LYS H 1 44 ASP H 2.391 . 3.106 2.085 1.938 2.405 . 0 0 "[ . 1 . 2]" 1
272 1 42 GLU H 1 43 LYS H 2.694 . 3.601 2.699 2.636 2.732 . 0 0 "[ . 1 . 2]" 1
273 1 41 LEU HA 1 43 LYS H 3.295 . 4.652 3.579 3.455 3.681 . 0 0 "[ . 1 . 2]" 1
274 1 43 LYS H 1 44 ASP HB3 3.159 . 4.407 4.370 4.239 4.450 0.043 7 0 "[ . 1 . 2]" 1
275 1 41 LEU HG 1 42 GLU H 3.408 . 4.860 4.684 4.602 4.803 . 0 0 "[ . 1 . 2]" 1
276 1 41 LEU MD2 1 42 GLU H 3.296 . 4.654 4.139 4.076 4.198 . 0 0 "[ . 1 . 2]" 1
277 1 41 LEU MD1 1 42 GLU H 3.589 . 5.199 4.484 4.343 4.669 . 0 0 "[ . 1 . 2]" 1
278 1 42 GLU HB2 1 43 LYS H 3.018 . 4.156 3.403 3.143 3.574 . 0 0 "[ . 1 . 2]" 1
279 1 43 LYS H 1 44 ASP HB2 3.271 . 4.609 4.250 3.868 4.614 0.005 2 0 "[ . 1 . 2]" 1
280 1 40 ASN H 1 41 LEU H 2.775 . 3.737 2.249 2.206 2.293 . 0 0 "[ . 1 . 2]" 1
281 1 72 HIS H 1 73 LEU H 2.863 . 3.887 2.668 2.602 2.724 . 0 0 "[ . 1 . 2]" 1
282 1 71 LYS H 1 72 HIS H 3.036 . 4.188 2.710 2.594 2.825 . 0 0 "[ . 1 . 2]" 1
283 1 40 ASN H 1 42 GLU H 3.081 . 4.268 4.273 4.154 4.316 0.048 20 0 "[ . 1 . 2]" 1
284 1 39 GLU HA 1 40 ASN H 3.106 . 4.312 3.405 3.382 3.439 . 0 0 "[ . 1 . 2]" 1
285 1 39 GLU HG2 1 40 ASN H 3.144 . 4.380 4.118 2.269 4.438 0.058 9 0 "[ . 1 . 2]" 1
286 1 39 GLU HB2 1 40 ASN H 2.947 . 4.032 3.304 3.041 4.150 0.118 4 0 "[ . 1 . 2]" 1
287 1 39 GLU HB3 1 40 ASN H 2.865 . 3.891 3.978 3.936 3.999 0.108 11 0 "[ . 1 . 2]" 1
288 1 71 LYS HB3 1 72 HIS H 3.179 . 4.442 4.072 3.665 4.295 . 0 0 "[ . 1 . 2]" 1
289 1 71 LYS HB2 1 72 HIS H 3.075 . 4.257 3.490 2.565 4.111 . 0 0 "[ . 1 . 2]" 1
290 1 101 ARG HA 1 102 THR H 2.694 . 3.601 2.197 2.138 2.340 . 0 0 "[ . 1 . 2]" 1
291 1 102 THR HA 1 103 THR H 3.436 . 4.912 3.431 3.310 3.522 . 0 0 "[ . 1 . 2]" 1
292 1 101 ARG HB3 1 102 THR H 3.482 . 4.997 3.408 2.634 3.899 . 0 0 "[ . 1 . 2]" 1
293 1 85 LYS H 1 86 TYR H 2.677 . 3.573 2.705 2.681 2.736 . 0 0 "[ . 1 . 2]" 1
294 1 86 TYR H 1 87 SER H 2.570 . 3.396 2.533 2.493 2.574 . 0 0 "[ . 1 . 2]" 1
295 1 84 LEU HA 1 86 TYR H 2.942 . 4.024 3.594 3.531 3.664 . 0 0 "[ . 1 . 2]" 1
296 1 83 ALA MB 1 86 TYR H 3.231 . 4.536 4.549 4.470 4.583 0.047 10 0 "[ . 1 . 2]" 1
297 1 25 ILE MG 1 86 TYR H 3.039 . 4.194 3.421 3.230 3.646 . 0 0 "[ . 1 . 2]" 1
298 1 27 LYS H 1 28 LEU H 3.042 . 4.199 2.720 2.618 2.804 . 0 0 "[ . 1 . 2]" 1
299 1 24 LEU H 1 27 LYS H 3.636 . 5.288 4.911 4.772 5.011 . 0 0 "[ . 1 . 2]" 1
300 1 26 LYS HA 1 27 LYS H 3.086 . 4.276 3.513 3.500 3.526 . 0 0 "[ . 1 . 2]" 1
301 1 26 LYS HB2 1 27 LYS H 2.640 . 3.512 3.070 2.716 3.514 0.002 12 0 "[ . 1 . 2]" 1
302 1 24 LEU MD1 1 27 LYS H 3.190 . 4.462 4.398 4.179 4.474 0.012 19 0 "[ . 1 . 2]" 1
303 1 24 LEU MD2 1 27 LYS H 3.299 . 4.660 4.230 4.063 4.398 . 0 0 "[ . 1 . 2]" 1
304 1 38 ASP H 1 39 GLU H 2.897 . 3.946 3.118 2.947 3.241 . 0 0 "[ . 1 . 2]" 1
305 1 21 ASP H 1 22 GLU H 3.144 . 4.380 4.443 4.398 4.498 0.118 8 0 "[ . 1 . 2]" 1
306 1 25 ILE H 1 26 LYS H 2.813 . 3.802 2.562 2.509 2.687 . 0 0 "[ . 1 . 2]" 1
307 1 24 LEU H 1 26 LYS H 3.173 . 4.431 4.248 4.082 4.392 . 0 0 "[ . 1 . 2]" 1
308 1 26 LYS H 1 27 LYS H 2.602 . 3.448 2.547 2.451 2.625 . 0 0 "[ . 1 . 2]" 1
309 1 21 ASP H 1 23 GLU H 3.196 . 4.473 4.522 4.476 4.551 0.078 19 0 "[ . 1 . 2]" 1
310 1 82 HIS H 1 83 ALA H 2.547 . 3.358 2.655 2.476 2.769 . 0 0 "[ . 1 . 2]" 1
311 1 22 GLU H 1 24 LEU H 3.378 . 4.804 4.793 4.736 4.841 0.037 19 0 "[ . 1 . 2]" 1
312 1 39 GLU H 1 40 ASN H 2.934 . 4.010 2.602 2.488 2.697 . 0 0 "[ . 1 . 2]" 1
313 1 21 ASP HA 1 22 GLU H 2.660 . 3.545 2.254 2.205 2.360 . 0 0 "[ . 1 . 2]" 1
314 1 38 ASP HA 1 39 GLU H 2.817 . 3.809 3.558 3.540 3.569 . 0 0 "[ . 1 . 2]" 1
315 1 88 VAL HA 1 89 VAL H 2.781 . 3.748 3.219 3.207 3.242 . 0 0 "[ . 1 . 2]" 1
316 1 22 GLU HA 1 26 LYS H 3.161 . 4.410 3.715 3.459 3.944 . 0 0 "[ . 1 . 2]" 1
317 1 23 GLU HA 1 26 LYS H 4.948 3.862 6.034 3.918 3.857 4.001 0.005 3 0 "[ . 1 . 2]" 1
318 1 24 LEU HA 1 26 LYS H 3.154 . 4.397 4.302 4.090 4.400 0.003 4 0 "[ . 1 . 2]" 1
319 1 25 ILE HA 1 26 LYS H 3.262 . 4.592 3.531 3.507 3.555 . 0 0 "[ . 1 . 2]" 1
320 1 21 ASP HB3 1 22 GLU H 2.897 . 3.946 3.029 2.749 3.792 . 0 0 "[ . 1 . 2]" 1
321 1 38 ASP HB2 1 39 GLU H 2.890 . 3.934 3.219 2.765 3.802 . 0 0 "[ . 1 . 2]" 1
322 1 21 ASP HB2 1 22 GLU H 2.930 . 4.003 3.749 2.448 4.015 0.012 6 0 "[ . 1 . 2]" 1
323 1 21 ASP H 1 24 LEU HB2 4.838 3.831 5.845 4.210 4.074 4.390 . 0 0 "[ . 1 . 2]" 1
324 1 21 ASP H 1 24 LEU HB3 3.005 . 4.134 3.732 3.579 3.967 . 0 0 "[ . 1 . 2]" 1
325 1 22 GLU H 1 25 ILE MD 3.431 . 4.902 3.128 2.955 3.683 . 0 0 "[ . 1 . 2]" 1
326 1 83 ALA H 1 84 LEU MD1 3.164 . 4.415 4.458 4.428 4.499 0.084 5 0 "[ . 1 . 2]" 1
327 1 28 LEU MD1 1 83 ALA H 2.961 . 4.057 4.078 3.909 4.121 0.064 10 0 "[ . 1 . 2]" 1
328 1 29 VAL H 1 30 ASP H 2.782 . 3.750 2.796 2.743 2.860 . 0 0 "[ . 1 . 2]" 1
329 1 28 LEU H 1 30 ASP H 2.968 . 4.069 3.999 3.842 4.093 0.024 18 0 "[ . 1 . 2]" 1
330 1 46 PHE H 1 48 LEU H 3.492 . 5.016 4.136 3.540 4.775 . 0 0 "[ . 1 . 2]" 1
331 1 30 ASP H 1 31 GLN H 2.705 . 3.619 2.624 2.504 2.710 . 0 0 "[ . 1 . 2]" 1
332 1 31 GLN H 1 32 ILE H 2.774 . 3.736 2.542 2.471 2.625 . 0 0 "[ . 1 . 2]" 1
333 1 69 LYS H 1 70 VAL H 3.142 . 4.376 2.385 2.364 2.414 . 0 0 "[ . 1 . 2]" 1
334 1 31 GLN H 1 34 PHE H 3.447 . 4.932 4.743 4.645 4.873 . 0 0 "[ . 1 . 2]" 1
335 1 30 ASP HA 1 31 GLN H 3.053 . 4.218 3.487 3.454 3.508 . 0 0 "[ . 1 . 2]" 1
336 1 28 LEU HA 1 31 GLN H 3.022 . 4.163 3.538 3.407 3.654 . 0 0 "[ . 1 . 2]" 1
337 1 33 GLU HA 1 34 PHE H 3.385 . 4.817 3.436 3.426 3.448 . 0 0 "[ . 1 . 2]" 1
338 1 45 ALA HA 1 46 PHE H 3.237 . 4.547 3.400 3.324 3.526 . 0 0 "[ . 1 . 2]" 1
339 1 27 LYS HA 1 30 ASP H 3.170 . 4.426 3.678 3.553 3.849 . 0 0 "[ . 1 . 2]" 1
340 1 26 LYS HA 1 30 ASP H 3.085 . 4.275 4.017 3.796 4.278 0.003 20 0 "[ . 1 . 2]" 1
341 1 29 VAL HA 1 30 ASP H 3.122 . 4.340 3.505 3.466 3.534 . 0 0 "[ . 1 . 2]" 1
342 1 30 ASP HB3 1 31 GLN H 2.858 . 3.879 3.016 2.762 3.414 . 0 0 "[ . 1 . 2]" 1
343 1 29 VAL HA 1 31 GLN H 3.483 . 4.999 3.951 3.844 4.073 . 0 0 "[ . 1 . 2]" 1
344 1 30 ASP HB2 1 31 GLN H 2.881 . 3.919 3.680 3.207 3.937 0.018 7 0 "[ . 1 . 2]" 1
345 1 24 LEU HB2 1 25 ILE H 3.234 . 4.541 3.982 3.948 4.017 . 0 0 "[ . 1 . 2]" 1
346 1 45 ALA MB 1 46 PHE H 2.713 . 3.633 3.059 2.640 3.250 . 0 0 "[ . 1 . 2]" 1
347 1 31 GLN H 1 32 ILE MD 2.887 . 3.929 3.949 3.885 3.971 0.042 13 0 "[ . 1 . 2]" 1
348 1 59 VAL H 1 99 VAL H 3.038 2.534 4.000 2.574 2.497 2.740 0.037 7 0 "[ . 1 . 2]" 1
349 1 91 GLU H 1 100 ARG H 3.140 . 4.000 4.113 3.841 4.313 0.313 5 0 "[ . 1 . 2]" 1
350 1 29 VAL H 1 32 ILE H 3.744 . 5.497 5.067 4.970 5.153 . 0 0 "[ . 1 . 2]" 1
351 1 41 LEU H 1 42 GLU H 2.913 . 3.974 2.582 2.528 2.706 . 0 0 "[ . 1 . 2]" 1
352 1 41 LEU H 1 43 LYS H 3.285 . 4.634 3.628 3.581 3.692 . 0 0 "[ . 1 . 2]" 1
353 1 90 LEU HA 1 91 GLU H 3.007 . 4.137 2.503 2.405 2.701 . 0 0 "[ . 1 . 2]" 1
354 1 24 LEU HA 1 25 ILE H 3.167 . 4.420 3.467 3.444 3.501 . 0 0 "[ . 1 . 2]" 1
355 1 22 GLU HA 1 25 ILE H 3.191 . 4.464 2.955 2.890 2.983 . 0 0 "[ . 1 . 2]" 1
356 1 70 VAL HA 1 73 LEU H 3.751 . 5.510 3.910 3.603 4.057 . 0 0 "[ . 1 . 2]" 1
357 1 29 VAL HA 1 32 ILE H 3.384 . 4.815 3.267 3.146 3.402 . 0 0 "[ . 1 . 2]" 1
358 1 29 VAL HA 1 33 GLU H 3.910 . 5.821 4.211 4.023 4.574 . 0 0 "[ . 1 . 2]" 1
359 1 40 ASN HB3 1 41 LEU H 3.163 . 4.414 3.671 3.055 3.998 . 0 0 "[ . 1 . 2]" 1
360 1 71 LYS HB2 1 73 LEU H 3.329 . 4.714 4.786 4.738 4.820 0.106 20 0 "[ . 1 . 2]" 1
361 1 40 ASN HB2 1 41 LEU H 3.192 . 4.466 3.443 3.183 4.007 . 0 0 "[ . 1 . 2]" 1
362 1 59 VAL MG1 1 99 VAL H 2.837 . 3.843 3.774 3.606 3.867 0.024 19 0 "[ . 1 . 2]" 1
363 1 90 LEU HB2 1 91 GLU H 2.925 . 3.995 3.511 3.015 3.737 . 0 0 "[ . 1 . 2]" 1
364 1 91 GLU H 1 92 LEU MD2 2.846 . 3.859 3.770 3.587 3.882 0.023 12 0 "[ . 1 . 2]" 1
365 1 90 LEU MD1 1 91 GLU H 3.167 . 4.421 3.277 3.122 3.481 . 0 0 "[ . 1 . 2]" 1
366 1 33 GLU H 1 90 LEU MD1 3.763 . 5.533 3.962 3.665 4.310 . 0 0 "[ . 1 . 2]" 1
367 1 24 LEU MD1 1 25 ILE H 3.367 . 4.784 3.654 3.447 3.865 . 0 0 "[ . 1 . 2]" 1
368 1 80 THR H 1 81 ALA H 3.059 . 4.229 2.558 2.464 2.687 . 0 0 "[ . 1 . 2]" 1
369 1 64 LEU H 1 65 THR H 2.198 . 2.802 2.697 2.426 2.805 0.003 9 0 "[ . 1 . 2]" 1
370 1 77 TRP HA 1 80 THR H 3.202 . 4.484 3.133 2.891 3.451 . 0 0 "[ . 1 . 2]" 1
371 1 63 LEU HA 1 64 LEU H 3.163 . 4.413 3.514 3.474 3.567 . 0 0 "[ . 1 . 2]" 1
372 1 61 VAL HA 1 64 LEU H 3.144 . 4.380 2.969 2.794 3.519 . 0 0 "[ . 1 . 2]" 1
373 1 63 LEU HG 1 64 LEU H 2.801 . 3.782 2.608 2.016 2.995 . 0 0 "[ . 1 . 2]" 1
374 1 63 LEU MD2 1 64 LEU H 3.359 . 4.769 3.866 3.607 4.112 . 0 0 "[ . 1 . 2]" 1
375 1 28 LEU H 1 29 VAL H 2.813 . 3.802 2.921 2.861 3.000 . 0 0 "[ . 1 . 2]" 1
376 1 93 ASN H 1 98 LYS H 2.882 . 3.920 2.005 1.893 2.115 . 0 0 "[ . 1 . 2]" 1
377 1 23 GLU H 1 25 ILE H 3.066 . 4.241 3.735 3.650 3.851 . 0 0 "[ . 1 . 2]" 1
378 1 35 TYR H 1 35 TYR QE 4.027 . 6.054 5.233 4.548 5.640 . 0 0 "[ . 1 . 2]" 1
379 1 33 GLU H 1 34 PHE H 3.149 . 4.389 2.727 2.695 2.789 . 0 0 "[ . 1 . 2]" 1
380 1 33 GLU H 1 35 TYR H 3.524 . 5.076 4.307 4.234 4.383 . 0 0 "[ . 1 . 2]" 1
381 1 74 THR HB 1 75 ARG H 3.245 . 4.561 2.903 2.335 3.837 . 0 0 "[ . 1 . 2]" 1
382 1 72 HIS HA 1 73 LEU H 3.385 . 4.817 3.341 3.240 3.440 . 0 0 "[ . 1 . 2]" 1
383 1 34 PHE HA 1 35 TYR H 3.486 . 5.005 3.517 3.494 3.549 . 0 0 "[ . 1 . 2]" 1
384 1 22 GLU HA 1 23 GLU H 3.274 . 4.614 3.448 3.433 3.463 . 0 0 "[ . 1 . 2]" 1
385 1 32 ILE HB 1 33 GLU H 2.944 . 4.028 2.003 1.987 2.021 . 0 0 "[ . 1 . 2]" 1
386 1 32 ILE HG12 1 33 GLU H 2.786 . 3.756 3.484 3.378 3.585 . 0 0 "[ . 1 . 2]" 1
387 1 74 THR MG 1 75 ARG H 3.144 . 4.379 2.303 1.914 3.690 . 0 0 "[ . 1 . 2]" 1
388 1 97 ARG HB2 1 98 LYS H 2.844 . 3.855 3.408 3.237 3.900 0.045 4 0 "[ . 1 . 2]" 1
389 1 25 ILE MG 1 29 VAL H 3.041 . 4.197 3.817 3.631 3.945 . 0 0 "[ . 1 . 2]" 1
390 1 28 LEU HB2 1 29 VAL H 3.041 . 4.197 2.729 2.376 2.891 . 0 0 "[ . 1 . 2]" 1
391 1 32 ILE MG 1 33 GLU H 3.301 . 4.663 3.389 3.323 3.437 . 0 0 "[ . 1 . 2]" 1
392 1 32 ILE MD 1 33 GLU H 2.966 . 4.065 4.185 4.164 4.217 0.152 2 0 "[ . 1 . 2]" 1
393 1 84 LEU H 1 85 LYS H 2.818 . 3.810 2.610 2.480 2.714 . 0 0 "[ . 1 . 2]" 1
394 1 81 ALA H 1 82 HIS H 3.643 . 5.302 2.626 2.548 2.728 . 0 0 "[ . 1 . 2]" 1
395 1 34 PHE H 1 35 TYR H 2.841 . 3.850 2.328 2.266 2.418 . 0 0 "[ . 1 . 2]" 1
396 1 78 ARG H 1 79 THR H 2.851 . 3.867 2.585 2.274 2.833 . 0 0 "[ . 1 . 2]" 1
397 1 79 THR H 1 80 THR H 2.660 . 3.545 2.465 2.337 2.624 . 0 0 "[ . 1 . 2]" 1
398 1 35 TYR H 1 35 TYR QD 2.960 . 4.055 3.206 2.681 3.535 . 0 0 "[ . 1 . 2]" 1
399 1 89 VAL HA 1 90 LEU H 3.257 . 4.583 3.511 3.492 3.536 . 0 0 "[ . 1 . 2]" 1
400 1 84 LEU HA 1 85 LYS H 3.095 . 4.292 3.484 3.454 3.509 . 0 0 "[ . 1 . 2]" 1
401 1 34 PHE HB2 1 35 TYR H 2.848 . 3.862 3.898 3.872 3.917 0.055 17 0 "[ . 1 . 2]" 1
402 1 46 PHE HB2 1 47 LEU H 2.981 . 4.092 3.747 3.471 4.108 0.016 7 0 "[ . 1 . 2]" 1
403 1 27 LYS HA 1 28 LEU H 3.543 . 5.113 3.557 3.541 3.567 . 0 0 "[ . 1 . 2]" 1
404 1 58 TYR HA 1 59 VAL H 2.890 . 3.934 2.276 2.145 2.464 . 0 0 "[ . 1 . 2]" 1
405 1 78 ARG HA 1 81 ALA H 3.637 . 5.290 3.574 3.330 3.704 . 0 0 "[ . 1 . 2]" 1
406 1 61 VAL MG2 1 81 ALA H 3.696 . 5.404 4.359 3.849 4.872 . 0 0 "[ . 1 . 2]" 1
407 1 24 LEU MD2 1 28 LEU H 3.230 . 4.534 3.748 3.402 4.155 . 0 0 "[ . 1 . 2]" 1
408 1 89 VAL HB 1 90 LEU H 3.425 . 4.892 2.659 2.485 2.775 . 0 0 "[ . 1 . 2]" 1
409 1 101 ARG H 1 102 THR H 3.525 . 5.078 4.466 4.391 4.555 . 0 0 "[ . 1 . 2]" 1
410 1 10 ARG H 1 12 ASP H 3.074 . 4.255 3.533 2.838 4.262 0.007 10 0 "[ . 1 . 2]" 1
411 1 10 ARG H 1 11 GLU H 2.604 . 3.452 2.478 1.992 2.863 . 0 0 "[ . 1 . 2]" 1
412 1 100 ARG HA 1 101 ARG H 3.055 . 4.222 2.393 2.298 2.510 . 0 0 "[ . 1 . 2]" 1
413 1 10 ARG H 1 13 LEU HB2 3.153 . 4.395 3.085 2.724 3.857 . 0 0 "[ . 1 . 2]" 1
414 1 12 ASP H 1 13 LEU H 2.496 . 3.275 2.014 1.822 2.258 . 0 0 "[ . 1 . 2]" 1
415 1 10 ARG H 1 13 LEU H 2.892 . 3.937 3.619 2.992 3.942 0.005 12 0 "[ . 1 . 2]" 1
416 1 12 ASP HB2 1 13 LEU H 2.955 . 4.047 3.632 2.919 4.065 0.018 17 0 "[ . 1 . 2]" 1
417 1 12 ASP HB3 1 13 LEU H 2.905 . 3.960 2.981 2.283 3.979 0.019 17 0 "[ . 1 . 2]" 1
418 1 88 VAL H 1 89 VAL MG2 2.822 . 3.817 3.251 3.145 3.324 . 0 0 "[ . 1 . 2]" 1
419 1 24 LEU H 1 25 ILE H 2.858 . 3.879 2.442 2.395 2.468 . 0 0 "[ . 1 . 2]" 1
420 1 23 GLU HA 1 24 LEU H 3.143 . 4.378 3.544 3.534 3.554 . 0 0 "[ . 1 . 2]" 1
421 1 37 SER H 1 38 ASP H 3.442 . 4.923 4.615 4.558 4.641 . 0 0 "[ . 1 . 2]" 1
422 1 42 GLU H 1 44 ASP H 3.319 . 4.696 4.059 4.000 4.173 . 0 0 "[ . 1 . 2]" 1
423 1 41 LEU HA 1 44 ASP H 3.136 . 4.365 2.907 2.745 3.200 . 0 0 "[ . 1 . 2]" 1
424 1 42 GLU HA 1 44 ASP H 3.497 . 5.025 4.262 3.946 4.450 . 0 0 "[ . 1 . 2]" 1
425 1 75 ARG HB3 1 76 ASP H 3.099 . 4.300 3.998 2.701 4.344 0.044 4 0 "[ . 1 . 2]" 1
426 1 43 LYS HB2 1 44 ASP H 3.201 . 4.482 3.929 3.164 4.519 0.037 8 0 "[ . 1 . 2]" 1
427 1 43 LYS HB3 1 44 ASP H 3.043 . 4.201 3.795 3.353 4.228 0.027 1 0 "[ . 1 . 2]" 1
428 1 41 LEU MD1 1 44 ASP H 3.349 . 4.751 4.771 4.700 4.835 0.084 20 0 "[ . 1 . 2]" 1
429 1 38 ASP H 1 41 LEU MD2 3.568 . 5.159 4.231 3.997 4.402 . 0 0 "[ . 1 . 2]" 1
430 1 67 PHE H 1 71 LYS H 3.414 . 4.871 3.988 3.454 4.518 . 0 0 "[ . 1 . 2]" 1
431 1 66 SER HA 1 67 PHE H 3.042 . 4.199 3.078 2.942 3.303 . 0 0 "[ . 1 . 2]" 1
432 1 67 PHE H 1 70 VAL MG2 3.147 . 4.385 4.266 3.938 4.402 0.017 1 0 "[ . 1 . 2]" 1
433 1 67 PHE H 1 70 VAL MG1 3.264 . 4.596 3.875 3.363 4.210 . 0 0 "[ . 1 . 2]" 1
434 1 45 ALA H 1 46 PHE H 2.710 . 3.628 2.488 2.375 2.752 . 0 0 "[ . 1 . 2]" 1
435 1 44 ASP HB3 1 45 ALA H 3.196 . 4.473 4.335 4.088 4.460 . 0 0 "[ . 1 . 2]" 1
436 1 44 ASP HB2 1 45 ALA H 3.172 . 4.430 4.556 4.495 4.578 0.148 11 0 "[ . 1 . 2]" 1
437 1 17 TRP H 1 18 LYS H 3.273 . 4.612 4.537 4.470 4.630 0.018 19 0 "[ . 1 . 2]" 1
438 1 77 TRP H 1 78 ARG H 3.158 . 4.405 2.571 2.354 2.778 . 0 0 "[ . 1 . 2]" 1
439 1 76 ASP HA 1 77 TRP H 2.572 . 3.399 2.554 2.279 2.823 . 0 0 "[ . 1 . 2]" 1
440 1 65 THR MG 1 77 TRP H 2.962 . 4.059 4.127 4.091 4.185 0.126 17 0 "[ . 1 . 2]" 1
441 1 61 VAL H 1 98 LYS HA 3.224 . 4.000 2.232 1.930 2.605 . 0 0 "[ . 1 . 2]" 1
442 1 17 TRP HA 1 17 TRP HE1 3.829 . 5.662 4.890 4.526 5.265 . 0 0 "[ . 1 . 2]" 1
443 1 88 VAL H 1 89 VAL HA 3.326 . 4.708 4.737 4.717 4.777 0.069 4 0 "[ . 1 . 2]" 1
444 1 91 GLU H 1 101 ARG HA 3.304 . 4.000 3.392 2.967 3.667 . 0 0 "[ . 1 . 2]" 1
445 1 92 LEU HA 1 100 ARG H 3.265 . 4.000 3.000 2.847 3.119 . 0 0 "[ . 1 . 2]" 1
446 1 36 PHE H 1 36 PHE HA 2.511 . 3.299 2.856 2.820 2.923 . 0 0 "[ . 1 . 2]" 1
447 1 35 TYR H 1 35 TYR HA 2.913 . 3.974 2.802 2.765 2.864 . 0 0 "[ . 1 . 2]" 1
448 1 35 TYR H 1 35 TYR HB2 2.891 . 3.936 3.364 3.186 3.631 . 0 0 "[ . 1 . 2]" 1
449 1 22 GLU H 1 23 GLU H 2.634 . 3.501 2.774 2.699 2.819 . 0 0 "[ . 1 . 2]" 1
450 1 23 GLU H 1 24 LEU H 2.488 . 3.262 2.823 2.778 2.881 . 0 0 "[ . 1 . 2]" 1
451 1 21 ASP HB2 1 23 GLU H 3.238 . 4.549 2.982 2.290 4.213 . 0 0 "[ . 1 . 2]" 1
452 1 21 ASP HB3 1 23 GLU H 3.091 . 4.286 2.856 2.363 4.082 . 0 0 "[ . 1 . 2]" 1
453 1 23 GLU HB2 1 24 LEU H 2.532 . 3.333 2.276 2.205 2.383 . 0 0 "[ . 1 . 2]" 1
454 1 23 GLU HB3 1 24 LEU H 2.618 . 3.474 3.482 3.474 3.492 0.018 1 0 "[ . 1 . 2]" 1
455 1 24 LEU HB3 1 25 ILE H 2.809 . 3.796 3.040 2.898 3.139 . 0 0 "[ . 1 . 2]" 1
456 1 27 LYS HB2 1 28 LEU H 2.739 . 3.677 2.481 2.275 2.696 . 0 0 "[ . 1 . 2]" 1
457 1 32 ILE H 1 33 GLU H 2.818 . 3.810 2.818 2.758 2.863 . 0 0 "[ . 1 . 2]" 1
458 1 32 ILE H 1 34 PHE H 3.538 . 5.103 3.662 3.591 3.724 . 0 0 "[ . 1 . 2]" 1
459 1 32 ILE H 1 35 TYR QD 3.568 . 5.160 4.742 4.542 5.037 . 0 0 "[ . 1 . 2]" 1
460 1 32 ILE HA 1 33 GLU H 3.332 . 4.720 3.538 3.530 3.547 . 0 0 "[ . 1 . 2]" 1
461 1 32 ILE HB 1 34 PHE H 3.078 . 4.262 4.309 4.286 4.338 0.076 4 0 "[ . 1 . 2]" 1
462 1 46 PHE H 1 47 LEU H 3.314 . 4.687 2.572 2.421 2.763 . 0 0 "[ . 1 . 2]" 1
463 1 47 LEU H 1 48 LEU H 3.433 . 4.906 2.460 2.334 2.643 . 0 0 "[ . 1 . 2]" 1
464 1 35 TYR H 1 37 SER H 2.883 . 3.922 3.966 3.927 4.006 0.084 2 0 "[ . 1 . 2]" 1
465 1 36 PHE HA 1 37 SER H 2.473 . 3.237 3.267 3.242 3.295 0.058 13 0 "[ . 1 . 2]" 1
466 1 40 ASN HA 1 42 GLU H 3.419 . 4.880 4.522 4.330 4.618 . 0 0 "[ . 1 . 2]" 1
467 1 41 LEU HA 1 42 GLU H 3.604 . 5.227 3.536 3.519 3.557 . 0 0 "[ . 1 . 2]" 1
468 1 38 ASP HB3 1 39 GLU H 2.832 . 3.834 3.578 2.038 3.837 0.003 16 0 "[ . 1 . 2]" 1
469 1 38 ASP HA 1 41 LEU H 2.903 . 3.957 3.515 3.368 3.614 . 0 0 "[ . 1 . 2]" 1
470 1 12 ASP H 1 13 LEU MD2 3.136 . 4.365 3.587 2.446 4.379 0.014 15 0 "[ . 1 . 2]" 1
471 1 11 GLU H 1 13 LEU HB2 3.166 . 4.419 3.860 3.150 4.440 0.021 17 0 "[ . 1 . 2]" 1
472 1 11 GLU H 1 12 ASP HA 3.121 . 4.338 4.347 4.185 4.407 0.069 7 0 "[ . 1 . 2]" 1
473 1 65 THR H 1 70 VAL H 5.534 . 9.363 7.452 7.196 8.027 . 0 0 "[ . 1 . 2]" 1
474 1 64 LEU HA 1 65 THR H 4.412 . 6.846 3.484 3.356 3.520 . 0 0 "[ . 1 . 2]" 1
475 1 63 LEU HG 1 65 THR H 4.128 . 6.258 4.746 4.319 4.921 . 0 0 "[ . 1 . 2]" 1
476 1 95 ASP HA 1 97 ARG H 4.516 . 7.066 4.190 4.168 4.223 . 0 0 "[ . 1 . 2]" 1
477 1 35 TYR QD 1 36 PHE H 3.070 . 4.248 2.210 1.822 2.479 0.070 10 0 "[ . 1 . 2]" 1
478 1 66 SER H 1 67 PHE HB3 3.335 . 4.725 4.768 4.707 4.807 0.082 5 0 "[ . 1 . 2]" 1
479 1 41 LEU MD2 1 43 LYS H 3.379 . 4.806 4.657 4.556 4.731 . 0 0 "[ . 1 . 2]" 1
480 1 41 LEU MD1 1 43 LYS H 3.599 . 5.218 5.376 5.336 5.428 0.210 1 0 "[ . 1 . 2]" 1
481 1 108 PHE HB3 1 110 ASN H 4.196 . 6.397 4.702 4.428 5.024 . 0 0 "[ . 1 . 2]" 1
482 1 72 HIS H 1 73 LEU MD2 3.398 . 4.842 4.863 4.845 4.883 0.041 10 0 "[ . 1 . 2]" 1
483 1 27 LYS H 1 29 VAL H 3.646 . 5.308 4.401 4.294 4.534 . 0 0 "[ . 1 . 2]" 1
484 1 93 ASN HB3 1 94 GLU H 3.416 . 4.875 3.844 3.807 3.869 . 0 0 "[ . 1 . 2]" 1
485 1 21 ASP H 1 25 ILE MD 3.360 . 4.771 4.216 4.010 4.688 . 0 0 "[ . 1 . 2]" 1
486 1 37 SER H 1 41 LEU H 3.670 . 5.354 4.891 4.807 5.010 . 0 0 "[ . 1 . 2]" 1
487 1 83 ALA H 1 85 LYS H 3.524 . 5.076 4.038 3.797 4.184 . 0 0 "[ . 1 . 2]" 1
488 1 43 LYS H 1 43 LYS HB2 2.639 . 3.510 2.808 2.296 3.537 0.027 12 0 "[ . 1 . 2]" 1
489 1 22 GLU H 1 22 GLU HB3 2.291 . 2.947 2.732 2.550 2.766 . 0 0 "[ . 1 . 2]" 1
490 1 24 LEU H 1 24 LEU MD2 2.889 . 3.932 3.896 3.813 3.947 0.015 1 0 "[ . 1 . 2]" 1
491 1 65 THR H 1 65 THR HB 2.539 . 3.345 3.296 2.466 3.464 0.119 6 0 "[ . 1 . 2]" 1
492 1 67 PHE H 1 67 PHE HB2 2.523 . 3.319 2.648 2.494 2.832 . 0 0 "[ . 1 . 2]" 1
493 1 105 VAL H 1 105 VAL MG1 2.381 . 3.089 2.816 1.873 3.190 0.101 11 0 "[ . 1 . 2]" 1
494 1 18 LYS H 1 18 LYS HA 2.081 . 2.623 2.805 2.801 2.807 0.184 3 0 "[ . 1 . 2]" 1
495 1 13 LEU H 1 13 LEU MD1 2.754 . 3.702 3.632 2.544 3.717 0.015 16 0 "[ . 1 . 2]" 1
496 1 108 PHE HA 1 110 ASN H 2.750 . 3.695 3.633 3.454 3.800 0.105 17 0 "[ . 1 . 2]" 1
497 1 108 PHE HA 1 111 GLU H 2.775 . 3.738 3.821 3.741 3.891 0.153 5 0 "[ . 1 . 2]" 1
498 1 111 GLU HA 1 112 ASN H 2.513 . 3.303 3.393 3.378 3.409 0.106 18 0 "[ . 1 . 2]" 1
499 1 93 ASN H 1 100 ARG H 3.086 . 4.000 4.122 4.092 4.181 0.181 19 0 "[ . 1 . 2]" 1
500 1 96 HIS H 1 96 HIS HD2 2.623 . 3.483 2.260 2.221 2.298 . 0 0 "[ . 1 . 2]" 1
501 1 94 GLU H 1 96 HIS HD2 3.296 . 4.654 4.759 4.741 4.768 0.114 6 0 "[ . 1 . 2]" 1
502 1 35 TYR QE 1 36 PHE H 2.818 . 3.811 3.757 3.640 3.888 0.077 2 0 "[ . 1 . 2]" 1
503 1 63 LEU HA 1 65 THR H 2.895 . 3.943 3.942 3.831 3.991 0.048 17 0 "[ . 1 . 2]" 1
504 1 73 LEU MD1 1 74 THR H 2.849 . 3.863 3.578 3.332 3.748 . 0 0 "[ . 1 . 2]" 1
505 1 84 LEU HA 1 87 SER H 2.498 . 3.278 3.344 3.309 3.366 0.088 5 0 "[ . 1 . 2]" 1
506 1 102 THR H 1 103 THR H 2.887 . 3.929 2.301 1.932 2.670 . 0 0 "[ . 1 . 2]" 1
507 1 88 VAL H 1 89 VAL H 2.618 . 3.475 2.443 2.393 2.499 . 0 0 "[ . 1 . 2]" 1
508 1 17 TRP HZ3 1 83 ALA H 3.262 . 4.592 4.722 4.657 4.806 0.214 16 0 "[ . 1 . 2]" 1
509 1 25 ILE MD 1 83 ALA H 3.195 . 4.471 4.488 4.476 4.500 0.029 16 0 "[ . 1 . 2]" 1
510 1 107 LEU H 1 108 PHE HA 3.537 . 5.101 4.622 4.445 4.872 . 0 0 "[ . 1 . 2]" 1
511 1 32 ILE HA 1 34 PHE H 2.753 . 3.700 3.792 3.759 3.817 0.117 2 0 "[ . 1 . 2]" 1
512 1 22 GLU HB2 1 25 ILE H 3.313 . 4.685 4.735 4.717 4.752 0.067 16 0 "[ . 1 . 2]" 1
513 1 59 VAL MG2 1 99 VAL H 2.969 . 4.071 4.026 3.819 4.126 0.055 1 0 "[ . 1 . 2]" 1
514 1 88 VAL H 1 90 LEU H 3.291 . 4.645 4.566 4.453 4.641 . 0 0 "[ . 1 . 2]" 1
515 1 85 LYS H 1 86 TYR QD 3.067 . 4.242 4.217 3.885 4.259 0.017 11 0 "[ . 1 . 2]" 1
516 1 17 TRP HH2 1 81 ALA H 4.065 . 5.000 4.294 3.096 5.159 0.159 19 0 "[ . 1 . 2]" 1
517 1 88 VAL HA 1 90 LEU H 3.521 . 5.070 3.807 3.568 4.117 . 0 0 "[ . 1 . 2]" 1
518 1 24 LEU MD1 1 28 LEU H 2.983 . 4.096 3.175 2.883 3.484 . 0 0 "[ . 1 . 2]" 1
519 1 12 ASP H 1 13 LEU HB2 2.856 . 3.875 3.816 3.608 3.915 0.040 15 0 "[ . 1 . 2]" 1
520 1 88 VAL H 1 89 VAL HB 3.487 . 5.007 4.884 4.715 5.008 0.001 4 0 "[ . 1 . 2]" 1
521 1 92 LEU MD2 1 100 ARG H 2.572 . 3.399 3.525 3.494 3.545 0.146 16 0 "[ . 1 . 2]" 1
522 1 75 ARG H 1 76 ASP H 2.834 . 3.838 2.668 2.450 2.899 . 0 0 "[ . 1 . 2]" 1
523 1 75 ARG HA 1 76 ASP H 3.229 . 4.532 3.101 2.843 3.539 . 0 0 "[ . 1 . 2]" 1
524 1 74 THR HA 1 76 ASP H 3.174 . 4.434 4.126 3.912 4.435 0.001 15 0 "[ . 1 . 2]" 1
525 1 74 THR MG 1 76 ASP H 2.879 . 3.915 2.981 1.845 3.818 . 0 0 "[ . 1 . 2]" 1
526 1 17 TRP HE1 1 79 THR H 3.692 . 5.000 4.843 4.575 5.086 0.086 5 0 "[ . 1 . 2]" 1
527 1 17 TRP HE1 1 18 LYS HB3 3.973 . 5.946 4.987 3.672 5.961 0.015 15 0 "[ . 1 . 2]" 1
528 1 73 LEU HB3 1 77 TRP HE1 4.690 . 7.439 6.879 6.720 6.930 . 0 0 "[ . 1 . 2]" 1
529 1 21 ASP HA 1 23 GLU H 2.921 . 3.987 3.876 3.793 4.012 0.025 8 0 "[ . 1 . 2]" 1
530 1 64 LEU MD2 1 65 THR H 4.214 . 6.434 4.572 1.986 4.878 0.008 17 0 "[ . 1 . 2]" 1
531 1 110 ASN HA 1 110 ASN HB2 2.181 . 2.776 2.644 2.476 2.754 . 0 0 "[ . 1 . 2]" 1
532 1 24 LEU HA 1 27 LYS H 2.586 . 3.422 3.332 3.168 3.432 0.010 19 0 "[ . 1 . 2]" 1
533 1 24 LEU HA 1 24 LEU HB3 2.292 . 2.949 2.998 2.991 3.002 0.053 14 0 "[ . 1 . 2]" 1
534 1 75 ARG HA 1 75 ARG HB2 2.573 . 3.401 2.731 2.386 2.969 . 0 0 "[ . 1 . 2]" 1
535 1 112 ASN HA 1 112 ASN HB2 2.814 . 3.804 2.679 2.430 2.925 . 0 0 "[ . 1 . 2]" 1
536 1 112 ASN HA 1 112 ASN HB3 2.675 . 3.570 2.915 2.471 3.028 . 0 0 "[ . 1 . 2]" 1
537 1 112 ASN H 1 112 ASN HB3 2.863 . 3.888 3.127 2.448 3.754 . 0 0 "[ . 1 . 2]" 1
538 1 107 LEU HA 1 107 LEU HB3 2.548 . 3.360 2.222 2.217 2.228 . 0 0 "[ . 1 . 2]" 1
539 1 107 LEU HA 1 107 LEU HB2 2.467 . 3.228 2.761 2.748 2.778 . 0 0 "[ . 1 . 2]" 1
540 1 107 LEU HB2 1 107 LEU HG 1.990 . 2.485 2.379 2.371 2.395 . 0 0 "[ . 1 . 2]" 1
541 1 107 LEU HB3 1 107 LEU HG 2.007 . 2.510 2.431 2.416 2.442 . 0 0 "[ . 1 . 2]" 1
542 1 107 LEU HA 1 107 LEU MD1 2.184 . 2.780 2.835 2.812 2.891 0.111 1 0 "[ . 1 . 2]" 1
543 1 107 LEU MD2 1 107 LEU HG 2.141 . 2.714 2.092 2.082 2.101 . 0 0 "[ . 1 . 2]" 1
544 1 107 LEU MD2 1 108 PHE HB2 2.831 . 3.833 3.931 3.902 3.980 0.147 11 0 "[ . 1 . 2]" 1
545 1 107 LEU HA 1 107 LEU HG 3.216 . 4.509 4.172 4.153 4.180 . 0 0 "[ . 1 . 2]" 1
546 1 107 LEU H 1 107 LEU HG 3.032 . 4.181 3.581 3.383 3.745 . 0 0 "[ . 1 . 2]" 1
547 1 108 PHE HA 1 108 PHE HB3 2.828 . 3.828 2.278 2.262 2.295 . 0 0 "[ . 1 . 2]" 1
548 1 108 PHE HB3 1 111 GLU HB2 2.938 . 4.017 3.413 2.966 3.625 . 0 0 "[ . 1 . 2]" 1
549 1 108 PHE HA 1 108 PHE QD 2.923 . 3.991 3.518 3.346 3.617 . 0 0 "[ . 1 . 2]" 1
550 1 107 LEU HB2 1 108 PHE QD 2.863 . 3.888 1.836 1.739 1.914 0.099 6 0 "[ . 1 . 2]" 1
551 1 92 LEU HB3 1 92 LEU MD2 2.918 . 3.982 3.060 2.980 3.102 . 0 0 "[ . 1 . 2]" 1
552 1 92 LEU MD1 1 92 LEU MD2 1.992 . 2.488 2.076 2.061 2.107 . 0 0 "[ . 1 . 2]" 1
553 1 92 LEU MD1 1 92 LEU HG 2.096 . 2.645 2.077 2.069 2.095 . 0 0 "[ . 1 . 2]" 1
554 1 92 LEU MD2 1 92 LEU HG 2.484 . 3.255 2.117 2.112 2.121 . 0 0 "[ . 1 . 2]" 1
555 1 92 LEU HA 1 92 LEU HG 3.188 . 4.458 3.646 3.621 3.672 . 0 0 "[ . 1 . 2]" 1
556 1 93 ASN HA 1 93 ASN HB2 2.970 . 4.073 2.404 2.384 2.424 . 0 0 "[ . 1 . 2]" 1
557 1 22 GLU HA 1 22 GLU HB3 2.559 . 3.378 2.325 2.310 2.395 . 0 0 "[ . 1 . 2]" 1
558 1 96 HIS H 1 96 HIS HA 2.492 . 3.268 2.210 2.199 2.218 . 0 0 "[ . 1 . 2]" 1
559 1 92 LEU HB2 1 96 HIS HA 2.628 . 3.492 3.228 2.763 3.480 . 0 0 "[ . 1 . 2]" 1
560 1 92 LEU MD1 1 96 HIS HA 3.067 . 4.243 2.521 2.401 2.663 . 0 0 "[ . 1 . 2]" 1
561 1 96 HIS HA 1 96 HIS HB2 2.922 . 3.989 3.008 3.002 3.013 . 0 0 "[ . 1 . 2]" 1
562 1 32 ILE MD 1 32 ILE HG12 2.147 . 2.723 2.105 2.068 2.114 . 0 0 "[ . 1 . 2]" 1
563 1 29 VAL HA 1 32 ILE MD 2.692 . 3.598 3.540 3.314 3.616 0.018 20 0 "[ . 1 . 2]" 1
564 1 32 ILE HA 1 32 ILE MD 2.533 . 3.335 2.118 2.030 2.177 . 0 0 "[ . 1 . 2]" 1
565 1 25 ILE HB 1 25 ILE MD 2.449 . 3.199 2.390 2.350 2.434 . 0 0 "[ . 1 . 2]" 1
566 1 22 GLU HB2 1 25 ILE MD 3.135 . 4.364 3.966 3.673 4.367 0.003 1 0 "[ . 1 . 2]" 1
567 1 25 ILE HA 1 25 ILE MD 3.319 . 4.696 3.840 3.809 3.857 . 0 0 "[ . 1 . 2]" 1
568 1 25 ILE MD 1 86 TYR HB2 3.002 . 4.128 2.975 2.551 3.480 . 0 0 "[ . 1 . 2]" 1
569 1 22 GLU HA 1 25 ILE MD 2.952 . 4.042 2.077 1.918 2.503 . 0 0 "[ . 1 . 2]" 1
570 1 21 ASP HA 1 25 ILE MD 3.277 . 4.619 3.555 3.365 3.893 . 0 0 "[ . 1 . 2]" 1
571 1 25 ILE MG 1 83 ALA MB 2.058 . 2.588 1.996 1.913 2.181 . 0 0 "[ . 1 . 2]" 1
572 1 25 ILE HB 1 25 ILE MG 2.057 . 2.586 2.098 2.085 2.121 . 0 0 "[ . 1 . 2]" 1
573 1 25 ILE MG 1 29 VAL HB 2.556 . 3.373 3.369 3.162 3.400 0.027 12 0 "[ . 1 . 2]" 1
574 1 25 ILE MG 1 86 TYR HB3 2.617 . 3.473 3.461 3.177 3.492 0.019 1 0 "[ . 1 . 2]" 1
575 1 25 ILE MG 1 86 TYR HB2 2.686 . 3.588 2.173 1.904 2.485 . 0 0 "[ . 1 . 2]" 1
576 1 25 ILE HA 1 25 ILE MG 2.430 . 3.168 2.304 2.224 2.395 . 0 0 "[ . 1 . 2]" 1
577 1 22 GLU HA 1 25 ILE MG 2.678 . 3.574 3.408 3.355 3.518 . 0 0 "[ . 1 . 2]" 1
578 1 25 ILE MG 1 83 ALA HA 2.338 . 3.021 2.055 1.874 2.385 . 0 0 "[ . 1 . 2]" 1
579 1 25 ILE MG 1 86 TYR QD 2.506 . 3.291 2.559 1.972 2.910 . 0 0 "[ . 1 . 2]" 1
580 1 25 ILE MG 1 26 LYS H 2.702 . 3.615 3.560 3.410 3.628 0.013 5 0 "[ . 1 . 2]" 1
581 1 61 VAL MG2 1 81 ALA MB 2.191 . 2.791 2.800 2.498 2.867 0.076 14 0 "[ . 1 . 2]" 1
582 1 78 ARG HA 1 81 ALA MB 2.389 . 3.102 3.140 3.058 3.181 0.079 14 0 "[ . 1 . 2]" 1
583 1 81 ALA HA 1 81 ALA MB 2.140 . 2.712 2.094 2.079 2.131 . 0 0 "[ . 1 . 2]" 1
584 1 45 ALA HA 1 45 ALA MB 2.041 . 2.562 2.113 2.097 2.129 . 0 0 "[ . 1 . 2]" 1
585 1 81 ALA MB 1 82 HIS H 2.389 . 3.102 2.462 2.214 2.653 . 0 0 "[ . 1 . 2]" 1
586 1 45 ALA H 1 45 ALA MB 2.080 . 2.621 2.177 2.101 2.274 . 0 0 "[ . 1 . 2]" 1
587 1 81 ALA H 1 81 ALA MB 2.269 . 2.913 2.108 2.036 2.249 . 0 0 "[ . 1 . 2]" 1
588 1 32 ILE MG 1 90 LEU MD1 2.082 . 2.624 2.402 2.053 2.582 . 0 0 "[ . 1 . 2]" 1
589 1 32 ILE HG13 1 32 ILE MG 2.183 . 2.779 2.246 2.151 2.332 . 0 0 "[ . 1 . 2]" 1
590 1 32 ILE HB 1 32 ILE MG 2.131 . 2.699 2.115 2.105 2.123 . 0 0 "[ . 1 . 2]" 1
591 1 32 ILE HA 1 32 ILE MG 2.388 . 3.101 2.196 2.074 2.291 . 0 0 "[ . 1 . 2]" 1
592 1 32 ILE MG 1 33 GLU HA 2.821 . 3.816 3.778 3.693 3.834 0.018 18 0 "[ . 1 . 2]" 1
593 1 32 ILE MG 1 35 TYR QD 2.387 . 3.099 2.342 1.884 3.196 0.097 5 0 "[ . 1 . 2]" 1
594 1 32 ILE MG 1 90 LEU MD2 2.896 . 3.944 3.120 2.919 3.320 . 0 0 "[ . 1 . 2]" 1
595 1 25 ILE MD 1 83 ALA HA 2.482 . 3.252 2.553 2.250 2.845 . 0 0 "[ . 1 . 2]" 1
596 1 83 ALA HA 1 86 TYR QD 2.866 . 3.893 2.337 2.234 2.502 . 0 0 "[ . 1 . 2]" 1
597 1 83 ALA MB 1 86 TYR QD 2.966 . 4.066 3.990 3.922 4.075 0.009 19 0 "[ . 1 . 2]" 1
598 1 65 THR HA 1 65 THR MG 2.753 . 3.700 2.165 1.971 2.422 . 0 0 "[ . 1 . 2]" 1
599 1 65 THR HB 1 65 THR MG 2.357 . 3.052 2.096 2.069 2.114 . 0 0 "[ . 1 . 2]" 1
600 1 83 ALA HA 1 83 ALA MB 2.454 . 3.207 2.120 2.107 2.125 . 0 0 "[ . 1 . 2]" 1
601 1 25 ILE HA 1 83 ALA MB 2.500 . 3.281 1.856 1.805 1.981 . 0 0 "[ . 1 . 2]" 1
602 1 89 VAL HB 1 89 VAL MG1 2.098 . 2.648 2.121 2.086 2.130 . 0 0 "[ . 1 . 2]" 1
603 1 65 THR MG 1 81 ALA MB 2.688 . 3.591 3.589 3.429 3.654 0.063 17 0 "[ . 1 . 2]" 1
604 1 24 LEU MD1 1 83 ALA MB 2.328 . 3.005 2.969 2.754 3.045 0.040 4 0 "[ . 1 . 2]" 1
605 1 98 LYS HA 1 99 VAL H 2.553 . 3.368 2.561 2.511 2.599 . 0 0 "[ . 1 . 2]" 1
606 1 90 LEU MD1 1 90 LEU MD2 2.148 . 2.725 2.000 1.969 2.035 . 0 0 "[ . 1 . 2]" 1
607 1 89 VAL MG1 1 90 LEU MD2 2.244 . 2.873 1.876 1.800 1.915 . 0 0 "[ . 1 . 2]" 1
608 1 90 LEU MD2 1 90 LEU HG 2.276 . 2.924 2.112 2.106 2.119 . 0 0 "[ . 1 . 2]" 1
609 1 89 VAL HB 1 89 VAL MG2 2.003 . 2.505 2.106 2.097 2.121 . 0 0 "[ . 1 . 2]" 1
610 1 90 LEU HA 1 90 LEU MD2 2.403 . 3.125 2.693 2.619 2.752 . 0 0 "[ . 1 . 2]" 1
611 1 43 LYS HA 1 43 LYS HB2 2.598 . 3.441 2.675 2.230 2.972 . 0 0 "[ . 1 . 2]" 1
612 1 73 LEU HA 1 73 LEU MD2 2.256 . 2.892 2.468 2.198 2.725 . 0 0 "[ . 1 . 2]" 1
613 1 84 LEU HA 1 84 LEU MD1 2.347 . 3.035 1.971 1.920 2.036 . 0 0 "[ . 1 . 2]" 1
614 1 81 ALA HA 1 82 HIS H 2.747 . 3.690 3.576 3.561 3.590 . 0 0 "[ . 1 . 2]" 1
615 1 63 LEU HA 1 63 LEU HG 2.585 . 3.420 3.527 3.466 3.592 0.172 17 0 "[ . 1 . 2]" 1
616 1 63 LEU HA 1 63 LEU HB2 2.593 . 3.433 2.260 2.238 2.279 . 0 0 "[ . 1 . 2]" 1
617 1 63 LEU HA 1 63 LEU MD1 2.318 . 3.190 2.684 2.207 3.228 0.038 10 0 "[ . 1 . 2]" 1
618 1 64 LEU HA 1 64 LEU MD1 2.720 . 3.645 2.281 1.813 3.495 . 0 0 "[ . 1 . 2]" 1
619 1 70 VAL MG1 1 71 LYS H 2.375 . 3.080 3.119 3.098 3.134 0.054 10 0 "[ . 1 . 2]" 1
620 1 63 LEU MD1 1 64 LEU HA 2.704 . 3.618 3.349 2.649 3.639 0.021 18 0 "[ . 1 . 2]" 1
621 1 70 VAL HB 1 70 VAL MG1 2.218 . 2.833 2.126 2.119 2.128 . 0 0 "[ . 1 . 2]" 1
622 1 63 LEU MD1 1 63 LEU MD2 2.039 . 2.559 2.003 1.913 2.084 . 0 0 "[ . 1 . 2]" 1
623 1 78 ARG HB2 1 78 ARG HG2 2.969 . 4.071 2.871 2.485 3.011 . 0 0 "[ . 1 . 2]" 1
624 1 63 LEU MD2 1 64 LEU MD1 2.238 . 2.864 2.763 2.463 2.885 0.021 7 0 "[ . 1 . 2]" 1
625 1 63 LEU MD2 1 63 LEU HG 2.285 . 2.937 2.108 2.090 2.126 . 0 0 "[ . 1 . 2]" 1
626 1 63 LEU HB2 1 63 LEU MD2 2.465 . 3.224 2.492 2.291 2.744 . 0 0 "[ . 1 . 2]" 1
627 1 63 LEU HB3 1 63 LEU MD2 2.501 . 3.283 2.226 1.956 2.382 . 0 0 "[ . 1 . 2]" 1
628 1 67 PHE QD 1 70 VAL MG2 2.871 . 3.902 2.013 1.834 2.801 0.006 9 0 "[ . 1 . 2]" 1
629 1 70 VAL HA 1 70 VAL MG2 2.602 . 3.448 2.265 2.107 2.354 . 0 0 "[ . 1 . 2]" 1
630 1 67 PHE HB3 1 70 VAL MG2 3.101 . 4.303 2.564 2.158 3.023 . 0 0 "[ . 1 . 2]" 1
631 1 86 TYR H 1 86 TYR HA 2.685 . 3.586 2.936 2.913 2.944 . 0 0 "[ . 1 . 2]" 1
632 1 69 LYS H 1 69 LYS HA 2.700 . 3.611 2.882 2.874 2.886 . 0 0 "[ . 1 . 2]" 1
633 1 86 TYR HA 1 86 TYR QD 2.612 . 3.465 2.761 2.707 3.005 . 0 0 "[ . 1 . 2]" 1
634 1 86 TYR HA 1 86 TYR HB2 2.524 . 3.320 3.024 3.020 3.027 . 0 0 "[ . 1 . 2]" 1
635 1 86 TYR HA 1 86 TYR HB3 2.556 . 3.373 2.431 2.396 2.512 . 0 0 "[ . 1 . 2]" 1
636 1 41 LEU HA 1 44 ASP HB3 2.830 . 3.831 2.670 2.149 2.958 . 0 0 "[ . 1 . 2]" 1
637 1 41 LEU HA 1 41 LEU HG 2.636 . 3.505 3.591 3.575 3.603 0.098 13 0 "[ . 1 . 2]" 1
638 1 41 LEU HA 1 41 LEU MD2 2.548 . 3.360 1.922 1.847 2.005 . 0 0 "[ . 1 . 2]" 1
639 1 78 ARG HA 1 78 ARG HG2 2.801 . 3.782 3.577 3.227 3.694 . 0 0 "[ . 1 . 2]" 1
640 1 78 ARG HA 1 78 ARG HB2 2.887 . 3.929 2.644 2.500 2.999 . 0 0 "[ . 1 . 2]" 1
641 1 42 GLU HA 1 42 GLU HB2 2.452 . 3.203 2.900 2.837 3.011 . 0 0 "[ . 1 . 2]" 1
642 1 42 GLU HA 1 42 GLU HB3 2.472 . 3.236 2.321 2.207 2.809 . 0 0 "[ . 1 . 2]" 1
643 1 42 GLU HA 1 42 GLU HG2 2.436 . 3.178 2.999 2.147 3.301 0.123 9 0 "[ . 1 . 2]" 1
644 1 42 GLU HA 1 42 GLU HG3 2.595 . 3.437 3.444 2.904 3.553 0.116 9 0 "[ . 1 . 2]" 1
645 1 42 GLU HA 1 43 LYS H 2.990 . 4.107 3.386 3.354 3.442 . 0 0 "[ . 1 . 2]" 1
646 1 42 GLU H 1 42 GLU HA 2.544 . 3.353 2.729 2.701 2.748 . 0 0 "[ . 1 . 2]" 1
647 1 93 ASN H 1 99 VAL HA 2.805 . 3.788 3.484 3.367 3.615 . 0 0 "[ . 1 . 2]" 1
648 1 99 VAL HA 1 100 ARG H 2.660 . 3.545 2.131 2.105 2.157 . 0 0 "[ . 1 . 2]" 1
649 1 99 VAL HA 1 99 VAL HB 2.579 . 3.410 2.346 2.316 2.380 . 0 0 "[ . 1 . 2]" 1
650 1 23 GLU H 1 23 GLU HA 2.437 . 3.179 2.777 2.757 2.792 . 0 0 "[ . 1 . 2]" 1
651 1 26 LYS H 1 26 LYS HA 2.430 . 3.168 2.838 2.819 2.863 . 0 0 "[ . 1 . 2]" 1
652 1 17 TRP HA 1 18 LYS H 2.140 . 2.713 2.180 2.150 2.267 . 0 0 "[ . 1 . 2]" 1
653 1 39 GLU HA 1 39 GLU HB3 2.036 . 2.554 2.489 2.473 2.536 . 0 0 "[ . 1 . 2]" 1
654 1 39 GLU HA 1 39 GLU HB2 2.362 . 3.060 2.880 2.326 3.020 . 0 0 "[ . 1 . 2]" 1
655 1 41 LEU MD2 1 41 LEU HG 2.446 . 3.194 2.110 2.098 2.118 . 0 0 "[ . 1 . 2]" 1
656 1 63 LEU MD1 1 63 LEU HG 2.476 . 3.243 2.087 2.076 2.097 . 0 0 "[ . 1 . 2]" 1
657 1 74 THR HA 1 74 THR MG 2.651 . 3.529 2.381 2.052 3.224 . 0 0 "[ . 1 . 2]" 1
658 1 24 LEU MD1 1 28 LEU HG 2.400 . 3.120 3.117 2.904 3.164 0.044 9 0 "[ . 1 . 2]" 1
659 1 28 LEU HB3 1 28 LEU HG 2.200 . 2.805 2.932 2.866 2.950 0.145 5 0 "[ . 1 . 2]" 1
660 1 64 LEU MD1 1 64 LEU MD2 2.084 . 2.627 2.040 1.924 2.088 . 0 0 "[ . 1 . 2]" 1
661 1 63 LEU HB2 1 64 LEU MD1 4.345 3.658 5.032 4.404 4.120 4.630 . 0 0 "[ . 1 . 2]" 1
662 1 35 TYR QD 1 90 LEU MD1 2.827 . 3.826 3.884 3.855 3.930 0.104 10 0 "[ . 1 . 2]" 1
663 1 89 VAL HA 1 89 VAL MG1 2.154 . 2.734 2.344 2.248 2.416 . 0 0 "[ . 1 . 2]" 1
664 1 89 VAL HA 1 89 VAL HB 2.423 . 3.157 3.024 3.021 3.027 . 0 0 "[ . 1 . 2]" 1
665 1 89 VAL H 1 89 VAL HA 2.488 . 3.262 2.840 2.804 2.875 . 0 0 "[ . 1 . 2]" 1
666 1 42 GLU HB3 1 42 GLU HG3 2.701 . 3.613 2.962 2.573 2.993 . 0 0 "[ . 1 . 2]" 1
667 1 75 ARG HA 1 75 ARG HB3 2.755 . 3.704 2.791 2.372 3.017 . 0 0 "[ . 1 . 2]" 1
668 1 32 ILE HA 1 32 ILE HG12 2.781 . 3.748 3.474 3.418 3.514 . 0 0 "[ . 1 . 2]" 1
669 1 32 ILE HA 1 32 ILE HG13 2.811 . 3.799 3.805 3.764 3.834 0.035 8 0 "[ . 1 . 2]" 1
670 1 32 ILE HA 1 35 TYR QD 2.999 . 4.123 2.208 1.872 2.934 0.003 17 0 "[ . 1 . 2]" 1
671 1 26 LYS HA 1 29 VAL HB 2.806 . 3.790 3.840 3.825 3.865 0.075 12 0 "[ . 1 . 2]" 1
672 1 29 VAL HB 1 84 LEU MD1 2.181 . 2.776 2.824 2.806 2.845 0.069 12 0 "[ . 1 . 2]" 1
673 1 61 VAL HB 1 61 VAL MG2 2.804 . 3.787 2.093 2.084 2.118 . 0 0 "[ . 1 . 2]" 1
674 1 61 VAL HA 1 61 VAL HB 2.911 . 3.970 2.625 2.547 3.022 . 0 0 "[ . 1 . 2]" 1
675 1 101 ARG HA 1 101 ARG HB2 2.735 . 3.670 2.859 2.538 3.021 . 0 0 "[ . 1 . 2]" 1
676 1 18 LYS HA 1 18 LYS HB2 2.532 . 3.333 2.655 2.434 2.951 . 0 0 "[ . 1 . 2]" 1
677 1 18 LYS HA 1 18 LYS HB3 2.617 . 3.473 2.868 2.364 3.015 . 0 0 "[ . 1 . 2]" 1
678 1 89 VAL H 1 89 VAL HB 2.578 . 3.408 2.586 2.508 2.621 . 0 0 "[ . 1 . 2]" 1
679 1 102 THR HB 1 102 THR MG 2.028 . 2.542 2.095 2.063 2.118 . 0 0 "[ . 1 . 2]" 1
680 1 29 VAL HA 1 84 LEU MD1 2.170 . 2.759 2.505 2.306 2.749 . 0 0 "[ . 1 . 2]" 1
681 1 29 VAL HA 1 29 VAL HB 2.689 . 3.593 2.492 2.462 2.541 . 0 0 "[ . 1 . 2]" 1
682 1 102 THR HA 1 102 THR HB 2.258 . 2.895 2.435 2.332 2.678 . 0 0 "[ . 1 . 2]" 1
683 1 59 VAL HB 1 59 VAL MG2 2.338 . 3.021 2.110 2.083 2.127 . 0 0 "[ . 1 . 2]" 1
684 1 59 VAL HB 1 59 VAL MG1 2.439 . 3.183 2.084 2.073 2.107 . 0 0 "[ . 1 . 2]" 1
685 1 65 THR HA 1 65 THR HB 2.905 . 3.960 2.774 2.625 3.027 . 0 0 "[ . 1 . 2]" 1
686 1 32 ILE HB 1 90 LEU MD1 2.874 . 3.906 3.622 3.207 3.915 0.009 1 0 "[ . 1 . 2]" 1
687 1 86 TYR HB2 1 86 TYR QD 2.616 . 3.471 2.328 2.314 2.403 . 0 0 "[ . 1 . 2]" 1
688 1 35 TYR HB3 1 35 TYR QD 2.660 . 3.544 2.426 2.350 2.615 . 0 0 "[ . 1 . 2]" 1
689 1 34 PHE HA 1 34 PHE HB2 2.762 . 3.715 2.389 2.340 2.484 . 0 0 "[ . 1 . 2]" 1
690 1 46 PHE HB3 1 47 LEU H 6.793 . 12.562 3.983 2.614 4.271 . 0 0 "[ . 1 . 2]" 1
691 1 22 GLU HA 1 25 ILE HB 3.017 . 4.155 1.964 1.936 1.995 . 0 0 "[ . 1 . 2]" 1
692 1 44 ASP HA 1 44 ASP HB3 2.602 . 3.449 3.009 2.990 3.022 . 0 0 "[ . 1 . 2]" 1
693 1 38 ASP HA 1 38 ASP HB2 2.669 . 3.559 2.538 2.329 2.668 . 0 0 "[ . 1 . 2]" 1
694 1 44 ASP HA 1 44 ASP HB2 2.767 . 3.724 2.500 2.416 2.581 . 0 0 "[ . 1 . 2]" 1
695 1 27 LYS HA 1 30 ASP HB3 2.909 . 3.967 3.324 2.870 3.881 . 0 0 "[ . 1 . 2]" 1
696 1 40 ASN HA 1 40 ASN HB2 2.697 . 3.606 2.897 2.562 3.022 . 0 0 "[ . 1 . 2]" 1
697 1 30 ASP HA 1 30 ASP HB2 2.664 . 3.551 2.666 2.485 2.920 . 0 0 "[ . 1 . 2]" 1
698 1 35 TYR HA 1 40 ASN HB3 2.963 . 4.061 2.692 1.955 3.729 . 0 0 "[ . 1 . 2]" 1
699 1 64 LEU HB2 1 64 LEU MD2 2.455 . 3.209 2.291 2.039 2.511 . 0 0 "[ . 1 . 2]" 1
700 1 13 LEU HB3 1 13 LEU MD1 2.400 . 3.120 2.399 2.301 3.172 0.052 10 0 "[ . 1 . 2]" 1
701 1 90 LEU HB3 1 90 LEU HG 2.402 . 3.123 2.525 2.490 2.587 . 0 0 "[ . 1 . 2]" 1
702 1 28 LEU HB2 1 28 LEU HG 2.916 . 3.979 2.677 2.624 2.823 . 0 0 "[ . 1 . 2]" 1
703 1 13 LEU HA 1 13 LEU HB2 2.780 . 3.746 2.990 2.972 3.018 . 0 0 "[ . 1 . 2]" 1
704 1 13 LEU HA 1 13 LEU HB3 2.684 . 3.585 2.611 2.469 2.669 . 0 0 "[ . 1 . 2]" 1
705 1 36 PHE HA 1 36 PHE HB3 2.678 . 3.575 2.888 2.655 3.021 . 0 0 "[ . 1 . 2]" 1
706 1 36 PHE HA 1 36 PHE HB2 2.979 . 4.089 2.568 2.281 2.849 . 0 0 "[ . 1 . 2]" 1
707 1 36 PHE HA 1 41 LEU MD2 2.269 . 2.913 1.789 1.766 1.815 . 0 0 "[ . 1 . 2]" 1
708 1 34 PHE HA 1 37 SER H 2.778 . 3.743 3.741 3.670 3.778 0.035 4 0 "[ . 1 . 2]" 1
709 1 107 LEU MD1 1 108 PHE QE 2.748 . 3.692 3.849 3.807 3.873 0.181 1 0 "[ . 1 . 2]" 1
710 1 92 LEU H 1 92 LEU MD1 3.704 2.790 4.618 4.358 4.284 4.413 . 0 0 "[ . 1 . 2]" 1
711 1 32 ILE MD 1 35 TYR QD 2.664 . 3.551 3.497 3.345 3.576 0.025 12 0 "[ . 1 . 2]" 1
712 1 32 ILE H 1 32 ILE MG 2.701 . 3.613 3.715 3.699 3.732 0.119 13 0 "[ . 1 . 2]" 1
713 1 28 LEU HB2 1 83 ALA MB 2.486 . 3.258 2.830 2.638 3.164 . 0 0 "[ . 1 . 2]" 1
714 1 89 VAL MG1 1 90 LEU MD1 2.422 . 3.155 3.178 3.167 3.203 0.048 15 0 "[ . 1 . 2]" 1
715 1 102 THR HA 1 102 THR MG 2.293 . 2.950 2.519 2.179 3.162 0.212 14 0 "[ . 1 . 2]" 1
716 1 89 VAL HA 1 89 VAL MG2 2.150 . 2.728 2.476 2.368 2.497 . 0 0 "[ . 1 . 2]" 1
717 1 89 VAL H 1 90 LEU MD2 2.781 . 3.748 3.401 3.316 3.468 . 0 0 "[ . 1 . 2]" 1
718 1 90 LEU MD2 1 91 GLU H 3.951 2.863 5.039 4.506 4.404 4.558 . 0 0 "[ . 1 . 2]" 1
719 1 64 LEU HA 1 67 PHE HB2 3.260 . 4.589 2.232 1.917 2.711 0.014 12 0 "[ . 1 . 2]" 1
720 1 92 LEU MD2 1 99 VAL HA 2.377 . 3.083 1.782 1.763 1.802 . 0 0 "[ . 1 . 2]" 1
721 1 33 GLU HA 1 90 LEU MD2 2.961 . 4.057 2.649 2.123 3.187 . 0 0 "[ . 1 . 2]" 1
722 1 17 TRP HH2 1 78 ARG HG3 3.251 . 4.572 4.535 4.262 4.646 0.074 16 0 "[ . 1 . 2]" 1
723 1 36 PHE HA 1 41 LEU MD1 2.698 . 3.608 3.520 3.327 3.620 0.012 16 0 "[ . 1 . 2]" 1
724 1 59 VAL MG1 1 99 VAL MG1 1.660 . 2.005 2.057 2.045 2.079 0.074 17 0 "[ . 1 . 2]" 1
725 1 107 LEU HA 1 107 LEU MD2 3.154 2.574 3.734 3.601 3.588 3.619 . 0 0 "[ . 1 . 2]" 1
726 1 34 PHE QD 1 35 TYR HB3 2.660 . 3.544 3.552 3.349 3.572 0.028 3 0 "[ . 1 . 2]" 1
727 1 111 GLU HA 1 111 GLU HB3 2.360 . 3.056 3.002 2.998 3.008 . 0 0 "[ . 1 . 2]" 1
728 1 111 GLU HA 1 111 GLU HB2 2.292 . 2.949 2.413 2.388 2.438 . 0 0 "[ . 1 . 2]" 1
729 1 107 LEU HB2 1 107 LEU MD1 2.418 . 3.149 3.140 3.132 3.149 0.000 16 0 "[ . 1 . 2]" 1
730 1 108 PHE HB2 1 108 PHE QD 2.654 . 3.534 2.312 2.243 2.365 . 0 0 "[ . 1 . 2]" 1
731 1 108 PHE HB3 1 108 PHE QD 2.809 . 3.795 2.479 2.427 2.624 . 0 0 "[ . 1 . 2]" 1
732 1 107 LEU MD2 1 108 PHE QE 2.692 . 3.598 2.579 2.552 2.604 . 0 0 "[ . 1 . 2]" 1
733 1 61 VAL HB 1 97 ARG HA 2.395 . 3.112 3.144 3.132 3.174 0.062 2 0 "[ . 1 . 2]" 1
734 1 92 LEU HA 1 99 VAL HA 2.698 . 3.608 1.852 1.793 1.902 0.007 5 0 "[ . 1 . 2]" 1
735 1 92 LEU HA 1 99 VAL HB 2.493 . 3.270 3.386 3.358 3.442 0.172 19 0 "[ . 1 . 2]" 1
736 1 92 LEU HA 1 92 LEU MD2 2.393 . 3.109 1.804 1.731 1.919 . 0 0 "[ . 1 . 2]" 1
737 1 92 LEU HA 1 93 ASN H 2.569 . 3.394 2.370 2.318 2.425 . 0 0 "[ . 1 . 2]" 1
738 1 92 LEU MD1 1 96 HIS HB2 2.707 . 3.623 3.717 3.704 3.735 0.112 4 0 "[ . 1 . 2]" 1
739 1 92 LEU HB2 1 92 LEU MD2 2.112 . 2.669 2.790 2.752 2.864 0.195 5 0 "[ . 1 . 2]" 1
740 1 107 LEU HB3 1 107 LEU MD1 2.082 . 2.624 2.274 2.198 2.305 . 0 0 "[ . 1 . 2]" 1
741 1 90 LEU H 1 92 LEU MD2 2.889 . 3.932 3.987 3.969 4.013 0.081 4 0 "[ . 1 . 2]" 1
742 1 93 ASN HA 1 93 ASN HB3 2.745 . 3.687 3.038 3.033 3.045 . 0 0 "[ . 1 . 2]" 1
743 1 93 ASN HA 1 94 GLU HA 3.177 . 4.438 4.248 4.237 4.262 . 0 0 "[ . 1 . 2]" 1
744 1 23 GLU HB2 1 24 LEU HB3 2.697 . 4.606 4.633 4.619 4.646 0.040 19 0 "[ . 1 . 2]" 1
745 1 23 GLU HA 1 23 GLU HB2 2.598 . 3.442 3.024 3.022 3.026 . 0 0 "[ . 1 . 2]" 1
746 1 95 ASP HA 1 95 ASP HB2 2.596 . 3.439 2.827 2.476 3.034 . 0 0 "[ . 1 . 2]" 1
747 1 95 ASP HA 1 95 ASP HB3 2.716 . 3.638 2.784 2.514 3.036 . 0 0 "[ . 1 . 2]" 1
748 1 97 ARG HA 1 98 LYS H 3.063 . 4.236 3.452 3.433 3.462 . 0 0 "[ . 1 . 2]" 1
749 1 93 ASN HB3 1 97 ARG HA 3.212 . 4.502 4.605 4.581 4.626 0.124 13 0 "[ . 1 . 2]" 1
750 1 97 ARG HA 1 97 ARG HB3 2.972 . 4.076 2.510 2.299 2.588 . 0 0 "[ . 1 . 2]" 1
751 1 97 ARG HA 1 97 ARG HB2 2.770 . 3.729 2.956 2.623 3.020 . 0 0 "[ . 1 . 2]" 1
752 1 61 VAL MG1 1 97 ARG HA 4.266 . 6.540 2.342 1.989 4.229 0.003 10 0 "[ . 1 . 2]" 1
753 1 93 ASN HB3 1 97 ARG HB2 2.904 . 3.958 3.205 2.928 3.989 0.031 9 0 "[ . 1 . 2]" 1
754 1 83 ALA HA 1 86 TYR QE 2.844 . 3.855 3.829 3.627 3.868 0.013 11 0 "[ . 1 . 2]" 1
755 1 25 ILE MD 1 86 TYR QE 2.533 . 3.335 3.063 2.569 3.340 0.005 7 0 "[ . 1 . 2]" 1
756 1 77 TRP HB3 1 77 TRP HD1 3.016 . 4.153 3.468 3.226 3.675 . 0 0 "[ . 1 . 2]" 1
757 1 86 TYR HB3 1 86 TYR QD 2.968 . 4.069 2.485 2.393 2.503 . 0 0 "[ . 1 . 2]" 1
758 1 25 ILE MD 1 86 TYR QD 3.009 . 4.141 2.444 2.148 2.772 . 0 0 "[ . 1 . 2]" 1
759 1 92 LEU HA 1 92 LEU MD1 2.946 . 4.031 3.005 2.905 3.160 . 0 0 "[ . 1 . 2]" 1
760 1 85 LYS H 1 92 LEU MD1 2.838 . 3.844 3.772 3.352 3.892 0.048 6 0 "[ . 1 . 2]" 1
761 1 108 PHE HB2 1 112 ASN H 2.626 . 3.488 2.678 2.234 3.288 . 0 0 "[ . 1 . 2]" 1
762 1 92 LEU HB3 1 92 LEU MD2 2.756 . 3.705 1.837 1.799 1.963 0.008 15 0 "[ . 1 . 2]" 1
763 1 31 GLN HB2 1 32 ILE MD 2.022 . 2.533 2.852 2.466 3.001 0.468 4 0 "[ . 1 . 2]" 1
764 1 61 VAL MG1 1 81 ALA MB 1.951 . 2.427 2.567 1.816 2.963 0.536 9 2 "[ .- +1 . 2]" 1
765 1 92 LEU HA 1 92 LEU HB3 2.298 . 2.958 2.555 2.495 2.582 . 0 0 "[ . 1 . 2]" 1
766 1 61 VAL H 1 98 LYS HA 2.494 . 3.272 2.169 1.909 2.458 . 0 0 "[ . 1 . 2]" 1
767 1 81 ALA HA 1 92 LEU MD1 2.680 . 3.578 3.821 3.545 3.976 0.398 1 0 "[ . 1 . 2]" 1
768 1 63 LEU HA 1 63 LEU MD1 1.976 . 2.464 2.577 2.188 3.010 0.546 17 9 "[ .* ** ****-+ 2]" 1
769 1 17 TRP HA 1 17 TRP HD1 1.963 . 2.445 2.020 1.859 2.189 . 0 0 "[ . 1 . 2]" 1
770 1 32 ILE HB 1 90 LEU MD1 2.458 . 3.213 3.416 3.116 3.610 0.397 16 0 "[ . 1 . 2]" 1
771 1 89 VAL HA 1 89 VAL QG 1.976 . 2.464 2.141 2.090 2.176 . 0 0 "[ . 1 . 2]" 1
772 1 89 VAL HB 1 89 VAL QG 1.954 . 2.431 1.883 1.867 1.892 . 0 0 "[ . 1 . 2]" 1
773 1 28 LEU HB3 1 28 LEU HG 2.778 . 3.742 2.673 2.561 2.798 . 0 0 "[ . 1 . 2]" 1
774 1 13 LEU HB2 1 13 LEU MD1 2.222 . 2.839 2.325 1.975 2.842 0.003 17 0 "[ . 1 . 2]" 1
775 1 28 LEU HB2 1 28 LEU HG 2.674 . 3.568 2.437 2.384 2.514 . 0 0 "[ . 1 . 2]" 1
776 1 17 TRP HZ3 1 79 THR MG 3.200 . 5.000 5.084 5.039 5.148 0.148 5 0 "[ . 1 . 2]" 1
777 1 17 TRP HZ2 1 20 PRO QD 3.200 . 5.000 3.694 1.860 5.078 0.078 16 0 "[ . 1 . 2]" 1
778 1 25 ILE MG 1 86 TYR QB 3.200 . 5.000 2.151 1.890 2.435 . 0 0 "[ . 1 . 2]" 1
779 1 25 ILE MG 1 86 TYR QE 3.200 . 5.000 4.441 3.691 4.762 . 0 0 "[ . 1 . 2]" 1
780 1 26 LYS HA 1 29 VAL QG 3.200 . 5.000 1.832 1.797 1.911 0.003 12 0 "[ . 1 . 2]" 1
781 1 27 LYS QE 1 73 LEU QD 3.200 . 5.000 4.254 3.110 5.002 0.002 12 0 "[ . 1 . 2]" 1
782 1 28 LEU HG 1 70 VAL QG 3.200 . 5.000 3.029 3.008 3.053 . 0 0 "[ . 1 . 2]" 1
783 1 29 VAL HB 1 84 LEU QD 3.200 . 5.000 2.815 2.797 2.836 . 0 0 "[ . 1 . 2]" 1
784 1 29 VAL QG 1 84 LEU QD 3.200 . 5.000 2.973 2.771 3.075 . 0 0 "[ . 1 . 2]" 1
785 1 31 GLN HA 1 34 PHE QB 3.200 . 5.000 2.432 2.292 2.740 . 0 0 "[ . 1 . 2]" 1
786 1 31 GLN QB 1 70 VAL QG 3.200 . 5.000 2.767 2.350 3.222 . 0 0 "[ . 1 . 2]" 1
787 1 31 GLN QB 1 73 LEU QD 3.200 . 5.000 3.478 3.155 3.784 . 0 0 "[ . 1 . 2]" 1
788 1 31 GLN QG 1 73 LEU QD 3.200 . 5.000 2.773 2.246 3.006 . 0 0 "[ . 1 . 2]" 1
789 1 32 ILE MD 1 33 GLU QB 3.200 . 5.000 5.607 5.501 5.931 0.931 10 20 [*********+***-******] 1
790 1 32 ILE MG 1 47 LEU QD 3.200 . 5.000 3.053 3.002 3.147 . 0 0 "[ . 1 . 2]" 1
791 1 32 ILE MD 1 47 LEU QD 3.200 . 5.000 3.253 2.956 3.745 . 0 0 "[ . 1 . 2]" 1
792 1 32 ILE MD 1 99 VAL QG 3.200 . 5.000 3.094 3.054 3.122 . 0 0 "[ . 1 . 2]" 1
793 1 32 ILE MG 1 99 VAL QG 3.200 . 5.000 1.816 1.765 1.905 0.035 8 0 "[ . 1 . 2]" 1
794 1 33 GLU HA 1 90 LEU QD 3.200 . 5.000 2.340 1.950 2.676 . 0 0 "[ . 1 . 2]" 1
795 1 35 TYR QB 1 47 LEU QD 3.200 . 5.000 2.645 2.063 3.686 . 0 0 "[ . 1 . 2]" 1
796 1 35 TYR HA 1 47 LEU QD 3.200 . 5.000 4.376 3.953 4.919 . 0 0 "[ . 1 . 2]" 1
797 1 36 PHE HA 1 41 LEU QD 3.200 . 5.000 1.784 1.760 1.810 0.040 4 0 "[ . 1 . 2]" 1
798 1 36 PHE HA 1 41 LEU HG 3.200 . 5.000 4.188 4.130 4.258 . 0 0 "[ . 1 . 2]" 1
799 1 36 PHE QB 1 90 LEU QD 3.200 . 5.000 2.477 1.952 3.258 . 0 0 "[ . 1 . 2]" 1
800 1 36 PHE HA 1 47 LEU QD 3.200 . 5.000 4.251 2.786 4.891 . 0 0 "[ . 1 . 2]" 1
801 1 40 ASN H 1 43 LYS QB 3.200 . 5.000 5.047 5.010 5.086 0.086 18 0 "[ . 1 . 2]" 1
802 1 41 LEU QD 1 47 LEU QD 3.200 . 5.000 4.117 2.717 4.754 . 0 0 "[ . 1 . 2]" 1
803 1 41 LEU HA 1 44 ASP QB 3.200 . 5.000 2.625 2.111 2.918 . 0 0 "[ . 1 . 2]" 1
804 1 42 GLU HA 1 45 ALA MB 3.200 . 5.000 4.835 4.141 5.022 0.022 6 0 "[ . 1 . 2]" 1
805 1 41 LEU QD 1 45 ALA HA 3.200 . 5.000 4.353 3.744 4.685 . 0 0 "[ . 1 . 2]" 1
806 1 41 LEU QD 1 45 ALA MB 3.200 . 5.000 4.908 4.263 5.052 0.052 3 0 "[ . 1 . 2]" 1
807 1 45 ALA MB 1 46 PHE QB 3.200 . 5.000 4.328 4.102 4.502 . 0 0 "[ . 1 . 2]" 1
808 1 45 ALA HA 1 48 LEU QB 3.200 . 5.000 3.119 2.249 4.243 . 0 0 "[ . 1 . 2]" 1
809 1 45 ALA HA 1 48 LEU QD 3.200 . 5.000 3.904 2.593 5.110 0.110 16 0 "[ . 1 . 2]" 1
810 1 45 ALA MB 1 46 PHE HA 3.200 . 5.000 3.935 3.819 4.028 . 0 0 "[ . 1 . 2]" 1
811 1 47 LEU QD 1 63 LEU QD 3.200 . 5.000 2.434 1.780 4.042 0.020 6 0 "[ . 1 . 2]" 1
812 1 47 LEU QD 1 48 LEU QD 3.200 . 5.000 3.895 1.979 4.932 . 0 0 "[ . 1 . 2]" 1
813 1 47 LEU QD 1 51 VAL QG 3.200 . 5.000 4.233 2.873 5.024 0.024 15 0 "[ . 1 . 2]" 1
814 1 59 VAL QG 1 63 LEU QD 3.200 . 5.000 2.310 1.671 3.074 0.129 17 0 "[ . 1 . 2]" 1
815 1 47 LEU QD 1 59 VAL QG 3.200 . 5.000 1.765 1.701 1.851 0.099 2 0 "[ . 1 . 2]" 1
816 1 60 SER HA 1 98 LYS HA 3.200 . 4.000 2.623 2.353 2.731 . 0 0 "[ . 1 . 2]" 1
817 1 47 LEU QD 1 61 VAL QG 3.200 . 5.000 5.088 5.040 5.127 0.127 13 0 "[ . 1 . 2]" 1
818 1 47 LEU QD 1 64 LEU HG 3.200 . 5.000 2.803 2.208 3.284 . 0 0 "[ . 1 . 2]" 1
819 1 47 LEU QD 1 64 LEU QD 3.200 . 5.000 1.845 1.754 2.215 0.046 2 0 "[ . 1 . 2]" 1
820 1 65 THR MG 1 77 TRP HA 3.200 . 5.000 2.373 1.914 3.416 . 0 0 "[ . 1 . 2]" 1
821 1 65 THR MG 1 77 TRP QB 3.200 . 5.000 1.817 1.764 1.932 0.036 15 0 "[ . 1 . 2]" 1
822 1 28 LEU QD 1 70 VAL QG 3.200 . 5.000 1.978 1.946 2.015 . 0 0 "[ . 1 . 2]" 1
823 1 70 VAL QG 1 73 LEU QD 3.200 . 5.000 1.847 1.757 2.100 0.043 15 0 "[ . 1 . 2]" 1
824 1 74 THR HB 1 79 THR MG 3.200 . 5.000 5.064 5.026 5.099 0.099 18 0 "[ . 1 . 2]" 1
825 1 74 THR HG1 1 79 THR MG 3.200 . 5.000 4.402 2.794 5.007 0.007 8 0 "[ . 1 . 2]" 1
826 1 65 THR MG 1 77 TRP HE3 3.200 . 5.000 3.901 3.332 4.483 . 0 0 "[ . 1 . 2]" 1
827 1 66 SER QB 1 77 TRP HE3 3.200 . 5.000 4.737 4.014 5.015 0.015 16 0 "[ . 1 . 2]" 1
828 1 80 THR HA 1 81 ALA HA 3.200 . 5.000 4.734 4.684 4.788 . 0 0 "[ . 1 . 2]" 1
829 1 80 THR HA 1 81 ALA MB 3.200 . 5.000 4.978 4.963 4.995 . 0 0 "[ . 1 . 2]" 1
830 1 65 THR MG 1 81 ALA HA 3.200 . 5.000 4.603 4.240 5.031 0.031 15 0 "[ . 1 . 2]" 1
831 1 61 VAL QG 1 81 ALA HA 3.200 . 5.000 2.351 1.841 2.889 . 0 0 "[ . 1 . 2]" 1
832 1 61 VAL QG 1 81 ALA MB 3.200 . 5.000 2.379 1.802 2.620 . 0 0 "[ . 1 . 2]" 1
833 1 81 ALA HA 1 92 LEU QD 3.200 . 5.000 4.613 3.762 5.005 0.005 15 0 "[ . 1 . 2]" 1
834 1 81 ALA MB 1 92 LEU QD 3.200 . 5.000 4.881 4.325 5.032 0.032 12 0 "[ . 1 . 2]" 1
835 1 81 ALA MB 1 96 HIS QB 3.200 . 5.000 4.998 4.528 5.060 0.060 17 0 "[ . 1 . 2]" 1
836 1 81 ALA MB 1 99 VAL QG 3.200 . 5.000 6.509 5.881 6.754 1.754 3 20 [**+-****************] 1
837 1 25 ILE QG 1 83 ALA HA 3.200 . 5.000 2.037 1.914 2.509 . 0 0 "[ . 1 . 2]" 1
838 1 25 ILE HB 1 83 ALA MB 3.200 . 5.000 3.853 3.734 3.967 . 0 0 "[ . 1 . 2]" 1
839 1 25 ILE MD 1 83 ALA MB 3.200 . 5.000 3.383 3.005 3.598 . 0 0 "[ . 1 . 2]" 1
840 1 25 ILE QG 1 83 ALA MB 3.200 . 5.000 2.037 1.852 2.258 . 0 0 "[ . 1 . 2]" 1
841 1 28 LEU QB 1 83 ALA MB 3.200 . 5.000 2.623 2.441 2.935 . 0 0 "[ . 1 . 2]" 1
842 1 29 VAL QG 1 84 LEU HA 3.200 . 5.000 3.735 3.573 3.946 . 0 0 "[ . 1 . 2]" 1
843 1 84 LEU QD 1 90 LEU QD 3.200 . 5.000 4.579 3.898 5.008 0.008 5 0 "[ . 1 . 2]" 1
844 1 84 LEU QB 1 99 VAL QG 3.200 . 5.000 4.372 3.873 4.716 . 0 0 "[ . 1 . 2]" 1
845 1 84 LEU QB 1 92 LEU QD 3.200 . 5.000 1.886 1.782 2.066 0.018 4 0 "[ . 1 . 2]" 1
846 1 81 ALA HA 1 84 LEU QB 3.200 . 5.000 3.094 2.731 3.416 . 0 0 "[ . 1 . 2]" 1
847 1 81 ALA MB 1 84 LEU QB 3.200 . 5.000 4.309 3.942 4.631 . 0 0 "[ . 1 . 2]" 1
848 1 29 VAL QG 1 86 TYR QB 3.200 . 5.000 4.873 4.358 5.052 0.052 20 0 "[ . 1 . 2]" 1
849 1 25 ILE MG 1 86 TYR HA 3.200 . 5.000 4.673 4.402 4.960 . 0 0 "[ . 1 . 2]" 1
850 1 29 VAL QG 1 87 SER QB 3.200 . 5.000 1.956 1.779 2.511 0.021 7 0 "[ . 1 . 2]" 1
851 1 29 VAL QG 1 87 SER HA 3.200 . 5.000 2.861 2.217 3.378 . 0 0 "[ . 1 . 2]" 1
852 1 29 VAL HB 1 87 SER QB 3.200 . 5.000 2.798 2.489 3.194 . 0 0 "[ . 1 . 2]" 1
853 1 88 VAL HB 1 89 VAL QG 3.200 . 5.000 4.995 4.924 5.015 0.015 14 0 "[ . 1 . 2]" 1
854 1 89 VAL HB 1 90 LEU HG 3.200 . 5.000 4.504 4.413 4.564 . 0 0 "[ . 1 . 2]" 1
855 1 89 VAL HB 1 90 LEU QD 3.200 . 5.000 1.892 1.856 1.924 . 0 0 "[ . 1 . 2]" 1
856 1 89 VAL QG 1 90 LEU QD 3.200 . 5.000 1.852 1.782 1.887 0.018 15 0 "[ . 1 . 2]" 1
857 1 90 LEU HA 1 101 ARG HA 3.200 . 4.000 4.604 3.778 5.020 1.020 1 13 "[+** * * ** ****- *]" 1
858 1 92 LEU HA 1 99 VAL QG 3.200 . 5.000 3.533 3.411 3.628 . 0 0 "[ . 1 . 2]" 1
859 1 92 LEU HG 1 99 VAL QG 3.200 . 5.000 4.460 4.305 4.579 . 0 0 "[ . 1 . 2]" 1
860 1 92 LEU QD 1 99 VAL QG 3.200 . 5.000 2.184 2.050 2.276 . 0 0 "[ . 1 . 2]" 1
861 1 95 ASP HA 1 96 HIS QB 3.200 . 5.000 4.214 4.182 4.262 . 0 0 "[ . 1 . 2]" 1
862 1 92 LEU QD 1 96 HIS HA 3.200 . 5.000 2.508 2.392 2.643 . 0 0 "[ . 1 . 2]" 1
863 1 92 LEU QD 1 96 HIS QB 3.200 . 5.000 2.267 2.241 2.335 . 0 0 "[ . 1 . 2]" 1
864 1 92 LEU QB 1 96 HIS HA 3.200 . 5.000 1.842 1.755 1.938 0.045 19 0 "[ . 1 . 2]" 1
865 1 90 LEU QD 1 99 VAL QG 3.200 . 5.000 2.993 2.810 3.206 . 0 0 "[ . 1 . 2]" 1
866 1 92 LEU QD 1 99 VAL HA 3.200 . 5.000 1.778 1.759 1.798 0.041 15 0 "[ . 1 . 2]" 1
867 1 91 GLU QG 1 100 ARG QB 3.200 . 5.000 2.972 2.335 4.047 . 0 0 "[ . 1 . 2]" 1
868 1 103 THR HB 1 104 PRO QD 3.200 . 5.000 4.258 4.186 4.297 . 0 0 "[ . 1 . 2]" 1
869 1 103 THR MG 1 104 PRO QD 3.200 . 5.000 3.990 3.934 4.044 . 0 0 "[ . 1 . 2]" 1
870 1 17 TRP HE1 1 79 THR HA 3.200 . 5.000 5.023 4.318 6.215 1.215 9 3 "[ - +1 . *2]" 1
871 1 17 TRP HE1 1 79 THR HB 3.200 . 5.000 5.070 5.011 5.113 0.113 6 0 "[ . 1 . 2]" 1
872 1 17 TRP HE1 1 79 THR MG 3.200 . 5.000 3.831 2.795 5.056 0.056 15 0 "[ . 1 . 2]" 1
873 1 17 TRP HE1 1 78 ARG QB 3.200 . 5.000 4.044 3.967 4.107 . 0 0 "[ . 1 . 2]" 1
874 1 29 VAL QG 1 34 PHE H 3.200 . 5.000 5.307 5.100 5.583 0.583 9 1 "[ . +1 . 2]" 1
875 1 36 PHE H 1 47 LEU QD 3.200 . 5.000 4.158 4.010 4.221 . 0 0 "[ . 1 . 2]" 1
876 1 36 PHE HA 1 41 LEU H 3.200 . 5.000 5.088 5.063 5.114 0.114 1 0 "[ . 1 . 2]" 1
877 1 50 HIS H 1 59 VAL QG 3.200 . 5.000 4.768 4.080 5.025 0.025 1 0 "[ . 1 . 2]" 1
878 1 59 VAL H 1 99 VAL QG 3.200 . 5.000 3.464 3.296 3.593 . 0 0 "[ . 1 . 2]" 1
879 1 17 TRP HZ3 1 79 THR H 3.200 . 5.000 5.529 4.352 6.238 1.238 15 12 "[ * *.*** - * *+* * *]" 1
880 1 17 TRP HZ3 1 81 ALA H 3.200 . 5.000 5.009 4.921 5.023 0.023 8 0 "[ . 1 . 2]" 1
881 1 65 THR MG 1 81 ALA H 3.200 . 5.000 3.811 3.510 4.193 . 0 0 "[ . 1 . 2]" 1
882 1 17 TRP HE3 1 81 ALA H 3.200 . 5.000 6.841 6.355 7.478 2.478 5 20 [***-+***************] 1
883 1 84 LEU H 1 92 LEU QD 3.200 . 5.000 4.472 3.905 4.725 . 0 0 "[ . 1 . 2]" 1
884 1 85 LYS H 1 92 LEU QD 3.200 . 5.000 3.725 3.301 3.846 . 0 0 "[ . 1 . 2]" 1
885 1 29 VAL QG 1 86 TYR H 3.200 . 5.000 5.469 5.025 5.672 0.672 12 10 "[***-.*** 1 + . **]" 1
886 1 86 TYR H 1 92 LEU QD 3.200 . 5.000 5.029 4.945 5.071 0.071 14 0 "[ . 1 . 2]" 1
887 1 29 VAL QG 1 87 SER H 3.200 . 5.000 4.447 4.130 4.742 . 0 0 "[ . 1 . 2]" 1
888 1 93 ASN QB 1 98 LYS H 3.200 . 5.000 1.822 1.789 1.852 0.011 19 0 "[ . 1 . 2]" 1
889 1 60 SER HA 1 99 VAL H 3.200 . 5.000 3.992 3.866 4.038 . 0 0 "[ . 1 . 2]" 1
890 1 59 VAL HB 1 99 VAL H 3.200 . 5.000 2.704 2.425 2.848 . 0 0 "[ . 1 . 2]" 1
891 1 59 VAL QG 1 99 VAL H 3.200 . 5.000 3.460 3.298 3.538 . 0 0 "[ . 1 . 2]" 1
892 1 91 GLU QG 1 100 ARG H 3.200 . 5.000 3.168 2.775 4.064 . 0 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 52
_Distance_constraint_stats_list.Viol_count 332
_Distance_constraint_stats_list.Viol_total 497.234
_Distance_constraint_stats_list.Viol_max 0.495
_Distance_constraint_stats_list.Viol_rms 0.0829
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0239
_Distance_constraint_stats_list.Viol_average_violations_only 0.0749
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
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 22 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 GLU 0.519 0.035 3 0 "[ . 1 . 2]"
1 24 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 LYS 0.708 0.035 3 0 "[ . 1 . 2]"
1 28 LEU 0.250 0.023 3 0 "[ . 1 . 2]"
1 29 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 ASP 0.093 0.016 13 0 "[ . 1 . 2]"
1 31 GLN 0.189 0.030 3 0 "[ . 1 . 2]"
1 32 ILE 0.250 0.023 3 0 "[ . 1 . 2]"
1 33 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 PHE 0.093 0.016 13 0 "[ . 1 . 2]"
1 35 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 ASP 0.940 0.061 10 0 "[ . 1 . 2]"
1 42 GLU 0.940 0.061 10 0 "[ . 1 . 2]"
1 44 ASP 0.707 0.083 3 0 "[ . 1 . 2]"
1 48 LEU 0.707 0.083 3 0 "[ . 1 . 2]"
1 59 VAL 1.349 0.098 5 0 "[ . 1 . 2]"
1 60 SER 0.813 0.044 16 0 "[ . 1 . 2]"
1 61 VAL 0.013 0.013 17 0 "[ . 1 . 2]"
1 64 LEU 0.813 0.044 16 0 "[ . 1 . 2]"
1 65 THR 0.013 0.013 17 0 "[ . 1 . 2]"
1 76 ASP 0.028 0.021 4 0 "[ . 1 . 2]"
1 78 ARG 0.848 0.071 20 0 "[ . 1 . 2]"
1 80 THR 0.878 0.089 19 0 "[ . 1 . 2]"
1 81 ALA 0.004 0.003 12 0 "[ . 1 . 2]"
1 82 HIS 0.848 0.071 20 0 "[ . 1 . 2]"
1 84 LEU 0.851 0.089 19 0 "[ . 1 . 2]"
1 85 LYS 0.004 0.003 12 0 "[ . 1 . 2]"
1 91 GLU 1.209 0.080 20 0 "[ . 1 . 2]"
1 93 ASN 17.047 0.495 2 0 "[ . 1 . 2]"
1 97 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 98 LYS 17.047 0.495 2 0 "[ . 1 . 2]"
1 99 VAL 1.349 0.098 5 0 "[ . 1 . 2]"
1 100 ARG 1.209 0.080 20 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 22 GLU O 1 26 LYS N 3.000 2.500 3.500 2.747 2.579 2.891 . 0 0 "[ . 1 . 2]" 2
2 1 22 GLU O 1 26 LYS H 2.100 . 2.600 1.820 1.639 2.013 . 0 0 "[ . 1 . 2]" 2
3 1 23 GLU O 1 27 LYS N 3.000 2.500 3.500 3.497 3.430 3.527 0.027 19 0 "[ . 1 . 2]" 2
4 1 23 GLU O 1 27 LYS H 2.100 . 2.600 2.621 2.604 2.635 0.035 3 0 "[ . 1 . 2]" 2
5 1 24 LEU O 1 28 LEU N 3.000 2.500 3.500 3.130 3.033 3.314 . 0 0 "[ . 1 . 2]" 2
6 1 24 LEU O 1 28 LEU H 2.100 . 2.600 2.164 2.055 2.373 . 0 0 "[ . 1 . 2]" 2
7 1 25 ILE O 1 29 VAL N 3.000 2.500 3.500 3.047 2.942 3.148 . 0 0 "[ . 1 . 2]" 2
8 1 25 ILE O 1 29 VAL H 2.100 . 2.600 2.098 1.974 2.212 . 0 0 "[ . 1 . 2]" 2
9 1 26 LYS O 1 30 ASP N 3.000 2.500 3.500 2.972 2.866 3.121 . 0 0 "[ . 1 . 2]" 2
10 1 26 LYS O 1 30 ASP H 2.100 . 2.600 2.182 2.025 2.432 . 0 0 "[ . 1 . 2]" 2
11 1 27 LYS O 1 31 GLN N 3.000 2.500 3.500 3.335 3.276 3.396 . 0 0 "[ . 1 . 2]" 2
12 1 27 LYS O 1 31 GLN H 2.100 . 2.600 2.602 2.495 2.630 0.030 3 0 "[ . 1 . 2]" 2
13 1 28 LEU O 1 32 ILE N 3.000 2.500 3.500 3.461 3.406 3.501 0.001 14 0 "[ . 1 . 2]" 2
14 1 28 LEU O 1 32 ILE H 2.100 . 2.600 2.607 2.536 2.623 0.023 3 0 "[ . 1 . 2]" 2
15 1 29 VAL O 1 33 GLU N 3.000 2.500 3.500 3.161 3.013 3.387 . 0 0 "[ . 1 . 2]" 2
16 1 29 VAL O 1 33 GLU H 2.100 . 2.600 2.220 2.081 2.441 . 0 0 "[ . 1 . 2]" 2
17 1 30 ASP O 1 34 PHE N 3.000 2.500 3.500 3.246 3.067 3.333 . 0 0 "[ . 1 . 2]" 2
18 1 30 ASP O 1 34 PHE H 2.100 . 2.600 2.581 2.438 2.616 0.016 13 0 "[ . 1 . 2]" 2
19 1 31 GLN O 1 35 TYR N 3.000 2.500 3.500 2.650 2.571 2.804 . 0 0 "[ . 1 . 2]" 2
20 1 31 GLN O 1 35 TYR H 2.100 . 2.600 1.782 1.685 1.920 . 0 0 "[ . 1 . 2]" 2
21 1 32 ILE O 1 36 PHE N 3.000 2.500 3.500 2.820 2.624 2.933 . 0 0 "[ . 1 . 2]" 2
22 1 32 ILE O 1 36 PHE H 2.100 . 2.600 1.905 1.671 2.022 . 0 0 "[ . 1 . 2]" 2
23 1 38 ASP O 1 42 GLU N 3.000 2.500 3.500 3.534 3.433 3.561 0.061 10 0 "[ . 1 . 2]" 2
24 1 38 ASP O 1 42 GLU H 2.100 . 2.600 2.599 2.495 2.637 0.037 1 0 "[ . 1 . 2]" 2
25 1 44 ASP O 1 48 LEU N 3.000 2.500 3.500 3.506 3.310 3.583 0.083 3 0 "[ . 1 . 2]" 2
26 1 44 ASP O 1 48 LEU H 2.100 . 2.600 2.584 2.500 2.624 0.024 17 0 "[ . 1 . 2]" 2
27 1 59 VAL N 1 99 VAL O 3.000 2.500 3.500 3.404 3.334 3.447 . 0 0 "[ . 1 . 2]" 2
28 1 59 VAL H 1 99 VAL O 2.100 . 2.600 2.667 2.640 2.698 0.098 5 0 "[ . 1 . 2]" 2
29 1 61 VAL N 1 97 ARG O 3.000 2.500 3.500 2.640 2.556 2.895 . 0 0 "[ . 1 . 2]" 2
30 1 61 VAL H 1 97 ARG O 2.100 . 2.600 1.721 1.632 1.952 . 0 0 "[ . 1 . 2]" 2
31 1 60 SER O 1 64 LEU N 3.000 2.500 3.500 3.517 3.457 3.539 0.039 2 0 "[ . 1 . 2]" 2
32 1 60 SER O 1 64 LEU H 2.100 . 2.600 2.619 2.561 2.644 0.044 16 0 "[ . 1 . 2]" 2
33 1 61 VAL O 1 65 THR N 3.000 2.500 3.500 3.137 2.812 3.391 . 0 0 "[ . 1 . 2]" 2
34 1 61 VAL O 1 65 THR H 2.100 . 2.600 2.297 1.923 2.613 0.013 17 0 "[ . 1 . 2]" 2
35 1 76 ASP O 1 80 THR N 3.000 2.500 3.500 3.073 2.755 3.316 . 0 0 "[ . 1 . 2]" 2
36 1 76 ASP O 1 80 THR H 2.100 . 2.600 2.338 1.982 2.621 0.021 4 0 "[ . 1 . 2]" 2
37 1 78 ARG O 1 82 HIS N 3.000 2.500 3.500 3.476 3.034 3.562 0.062 12 0 "[ . 1 . 2]" 2
38 1 78 ARG O 1 82 HIS H 2.100 . 2.600 2.540 2.077 2.671 0.071 20 0 "[ . 1 . 2]" 2
39 1 80 THR O 1 84 LEU N 3.000 2.500 3.500 3.529 3.502 3.589 0.089 19 0 "[ . 1 . 2]" 2
40 1 80 THR O 1 84 LEU H 2.100 . 2.600 2.612 2.583 2.630 0.030 19 0 "[ . 1 . 2]" 2
41 1 81 ALA O 1 85 LYS N 3.000 2.500 3.500 3.171 2.938 3.495 . 0 0 "[ . 1 . 2]" 2
42 1 81 ALA O 1 85 LYS H 2.100 . 2.600 2.284 2.015 2.603 0.003 12 0 "[ . 1 . 2]" 2
43 1 91 GLU N 1 100 ARG O 3.000 2.500 3.500 3.134 2.780 3.314 . 0 0 "[ . 1 . 2]" 2
44 1 91 GLU H 1 100 ARG O 2.100 . 2.600 2.408 1.997 2.616 0.016 16 0 "[ . 1 . 2]" 2
45 1 93 ASN N 1 98 LYS O 3.000 2.500 3.500 2.859 2.686 3.072 . 0 0 "[ . 1 . 2]" 2
46 1 93 ASN H 1 98 LYS O 2.100 . 2.600 2.042 1.855 2.265 . 0 0 "[ . 1 . 2]" 2
47 1 93 ASN O 1 98 LYS N 3.000 2.500 3.500 3.979 3.958 3.995 0.495 2 0 "[ . 1 . 2]" 2
48 1 93 ASN O 1 98 LYS H 2.100 . 2.600 2.974 2.954 2.986 0.386 2 0 "[ . 1 . 2]" 2
49 1 59 VAL O 1 99 VAL N 3.000 2.500 3.500 2.546 2.493 2.585 0.007 4 0 "[ . 1 . 2]" 2
50 1 59 VAL O 1 99 VAL H 2.100 . 2.600 1.727 1.662 1.767 . 0 0 "[ . 1 . 2]" 2
51 1 91 GLU O 1 100 ARG N 3.000 2.500 3.500 2.443 2.420 2.470 0.080 20 0 "[ . 1 . 2]" 2
52 1 91 GLU O 1 100 ARG H 2.100 . 2.600 1.640 1.588 1.714 0.012 12 0 "[ . 1 . 2]" 2
stop_
save_
Contact the webmaster for help, if required. Thursday, May 23, 2024 5:52:12 PM GMT (wattos1)