NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
595609 |
2mv9   |
25251 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2mv9
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 1186
_Distance_constraint_stats_list.Viol_count 2706
_Distance_constraint_stats_list.Viol_total 74501.305
_Distance_constraint_stats_list.Viol_max 7.969
_Distance_constraint_stats_list.Viol_rms 0.6838
_Distance_constraint_stats_list.Viol_average_all_restraints 0.1570
_Distance_constraint_stats_list.Viol_average_violations_only 1.3766
_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 12 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 LEU 0.002 0.002 10 0 "[ . 1 . 2]"
1 15 VAL 0.000 0.000 14 0 "[ . 1 . 2]"
1 16 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 21 MET 0.174 0.174 3 0 "[ . 1 . 2]"
1 22 SER 0.174 0.174 3 0 "[ . 1 . 2]"
1 23 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 SER 0.018 0.018 16 0 "[ . 1 . 2]"
1 27 LYS 0.018 0.018 16 0 "[ . 1 . 2]"
1 28 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 THR 0.046 0.046 15 0 "[ . 1 . 2]"
1 31 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 32 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 VAL 0.079 0.058 14 0 "[ . 1 . 2]"
1 36 ALA 0.079 0.058 14 0 "[ . 1 . 2]"
1 37 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 ALA 0.003 0.003 11 0 "[ . 1 . 2]"
1 42 GLY 0.003 0.003 11 0 "[ . 1 . 2]"
1 43 ALA 0.006 0.006 4 0 "[ . 1 . 2]"
1 44 VAL 0.006 0.006 4 0 "[ . 1 . 2]"
1 45 VAL 0.558 0.276 13 0 "[ . 1 . 2]"
1 46 GLY 0.019 0.007 4 0 "[ . 1 . 2]"
1 47 GLY 0.011 0.007 4 0 "[ . 1 . 2]"
1 48 LEU 0.055 0.010 8 0 "[ . 1 . 2]"
1 49 GLY 0.003 0.002 6 0 "[ . 1 . 2]"
1 50 GLY 0.013 0.006 20 0 "[ . 1 . 2]"
1 51 TYR 0.341 0.024 5 0 "[ . 1 . 2]"
1 52 MET 0.031 0.009 4 0 "[ . 1 . 2]"
1 53 LEU 0.857 0.143 3 0 "[ . 1 . 2]"
1 54 GLY 0.165 0.049 14 0 "[ . 1 . 2]"
1 55 SER 0.532 0.183 11 0 "[ . 1 . 2]"
1 56 VAL 1.494 0.220 8 0 "[ . 1 . 2]"
1 57 MET 1.564 0.437 20 0 "[ . 1 . 2]"
1 58 SER 1.055 0.437 20 0 "[ . 1 . 2]"
1 59 ARG 1.277 0.290 14 0 "[ . 1 . 2]"
1 60 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 61 LEU 131.182 3.847 12 20 [****-******+********]
1 62 ILE 250.717 4.112 7 20 [******+***********-*]
1 63 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 64 PHE 399.008 4.425 20 20 [***********-*******+]
1 65 GLY 0.007 0.007 16 0 "[ . 1 . 2]"
1 66 ASN 0.952 0.218 18 0 "[ . 1 . 2]"
1 67 ASP 0.026 0.010 14 0 "[ . 1 . 2]"
1 68 TYR 0.203 0.075 1 0 "[ . 1 . 2]"
1 69 GLU 0.542 0.181 18 0 "[ . 1 . 2]"
1 70 ASP 0.029 0.010 14 0 "[ . 1 . 2]"
1 71 ARG 0.056 0.038 15 0 "[ . 1 . 2]"
1 72 TYR 46.136 2.766 4 20 [***+****-***********]
1 73 TYR 100.696 2.858 13 20 [***********-+*******]
1 74 ARG 0.190 0.027 15 0 "[ . 1 . 2]"
1 75 GLU 0.142 0.042 17 0 "[ . 1 . 2]"
1 76 ASN 0.003 0.003 4 0 "[ . 1 . 2]"
1 77 MET 0.199 0.056 13 0 "[ . 1 . 2]"
1 78 TYR 0.012 0.012 18 0 "[ . 1 . 2]"
1 79 ARG 0.038 0.019 11 0 "[ . 1 . 2]"
1 80 TYR 50.525 3.026 11 20 [**********+******-**]
1 81 PRO 0.006 0.005 15 0 "[ . 1 . 2]"
1 82 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 83 GLN 0.064 0.008 15 0 "[ . 1 . 2]"
1 84 VAL 210.474 4.385 17 20 [******-*********+***]
1 85 TYR 0.465 0.044 11 0 "[ . 1 . 2]"
1 86 TYR 67.200 3.418 8 20 [*******+****-*******]
1 88 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 89 VAL 102.910 3.379 15 20 [**************+*-***]
1 94 ASN 0.408 0.053 6 0 "[ . 1 . 2]"
1 95 GLN 0.444 0.053 6 0 "[ . 1 . 2]"
1 96 ASN 0.581 0.078 3 0 "[ . 1 . 2]"
1 97 ASN 0.416 0.078 3 0 "[ . 1 . 2]"
1 98 PHE 254.695 3.612 8 20 [*******+*******-****]
1 99 VAL 311.296 4.099 7 20 [******+****-********]
1 100 HIS 0.065 0.065 2 0 "[ . 1 . 2]"
1 101 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 102 CYS 45.767 2.486 5 20 [****+******-********]
1 103 VAL 284.878 5.103 6 20 [*****+********-*****]
1 104 ASN 0.220 0.019 8 0 "[ . 1 . 2]"
1 105 ILE 0.693 0.035 11 0 "[ . 1 . 2]"
1 106 THR 0.281 0.060 5 0 "[ . 1 . 2]"
1 107 VAL 0.491 0.381 19 0 "[ . 1 . 2]"
1 108 LYS 0.324 0.060 5 0 "[ . 1 . 2]"
1 109 GLN 0.181 0.047 19 0 "[ . 1 . 2]"
1 110 HIS 0.183 0.075 19 0 "[ . 1 . 2]"
1 111 THR 0.052 0.014 8 0 "[ . 1 . 2]"
1 112 VAL 646.413 7.969 2 20 [-+******************]
1 117 PHE 522.995 7.969 2 20 [-+******************]
1 118 THR 176.431 7.884 2 20 [*+******-***********]
1 119 GLU 55.271 2.062 5 20 [-***+***************]
1 120 THR 19.228 0.537 6 13 "[- * .+* *1*** * ****]"
1 121 ASP 122.161 2.762 2 20 [*+****-*************]
1 122 ILE 152.633 1.940 4 20 [***+-***************]
1 123 LYS 27.173 1.128 2 20 [*+*-****************]
1 124 ILE 81.133 1.176 5 20 [****+***-***********]
1 125 MET 30.348 1.940 4 20 [***+-***************]
1 126 GLU 55.653 2.762 2 20 [*+***************-**]
1 127 ARG 19.392 0.910 4 11 "[ *+*** -* ***. * 2]"
1 128 VAL 149.318 2.766 4 20 [***+*******-********]
1 129 VAL 56.061 3.026 11 20 [**********+******-**]
1 130 GLU 15.838 2.125 19 10 "[* ** * -*** *+2]"
1 131 GLN 149.517 2.631 4 20 [***+*******-********]
1 132 MET 386.738 4.425 20 20 [******************-+]
1 133 CYS 11.966 0.814 14 6 "[ * *. * 1 *+. - 2]"
1 134 ILE 61.374 2.779 8 20 [*******+******-*****]
1 135 THR 122.879 4.112 7 20 [****-*+*************]
1 136 GLN 169.144 3.847 12 20 [***********+****-***]
1 137 TYR 389.260 5.103 6 20 [*****+*****-********]
1 138 GLN 128.669 4.099 7 20 [******+**********-**]
1 139 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 140 GLU 102.040 2.687 7 20 [******+*****-*******]
1 141 SER 326.134 3.914 15 20 [**************+**-**]
1 142 GLN 5.145 0.729 16 5 "[ . -** *+ 2]"
1 143 ALA 41.983 2.492 5 20 [****+*****-*********]
1 144 TYR 367.646 6.016 18 20 [******-**********+**]
1 145 TYR 204.758 6.269 17 20 [****************+***]
1 146 GLN 102.936 4.888 3 20 [**+********-********]
1 147 ARG 216.875 4.753 12 20 [***********+********]
1 148 GLY 176.344 6.269 17 20 [*******-********+***]
1 149 ALA 64.755 4.888 3 18 "[**+********* ***** -]"
1 150 SER 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 26 SER H 1 26 SER QB . . 3.700 2.819 2.243 3.359 . 0 0 "[ . 1 . 2]" 1
2 1 27 LYS H 1 27 LYS HB2 . . 3.950 3.091 2.193 3.887 . 0 0 "[ . 1 . 2]" 1
3 1 29 LYS HA 1 30 THR H . . 2.740 2.265 2.139 2.561 . 0 0 "[ . 1 . 2]" 1
4 1 38 ALA H 1 38 ALA MB . . 3.160 2.684 2.320 2.856 . 0 0 "[ . 1 . 2]" 1
5 1 29 LYS H 1 29 LYS HB2 . . 3.790 2.788 2.224 3.780 . 0 0 "[ . 1 . 2]" 1
6 1 39 ALA HA 1 40 ALA H . . 3.020 2.243 2.141 2.588 . 0 0 "[ . 1 . 2]" 1
7 1 40 ALA MB 1 41 ALA H . . 3.360 2.967 2.228 3.349 . 0 0 "[ . 1 . 2]" 1
8 1 43 ALA H 1 43 ALA MB . . 2.990 2.685 2.261 2.874 . 0 0 "[ . 1 . 2]" 1
9 1 46 GLY QA 1 47 GLY H . . 3.070 2.427 2.163 2.873 . 0 0 "[ . 1 . 2]" 1
10 1 48 LEU H 1 48 LEU HB2 . . 3.630 3.369 2.484 3.640 0.010 8 0 "[ . 1 . 2]" 1
11 1 54 GLY HA3 1 55 SER H . . 3.310 2.571 2.136 3.311 0.001 2 0 "[ . 1 . 2]" 1
12 1 64 PHE H 1 64 PHE HB2 . . 3.910 2.359 2.249 2.483 . 0 0 "[ . 1 . 2]" 1
13 1 22 SER QB 1 23 ASN H . . 4.280 3.241 2.196 3.931 . 0 0 "[ . 1 . 2]" 1
14 1 107 VAL H 1 107 VAL HB . . 3.720 2.699 2.361 3.617 . 0 0 "[ . 1 . 2]" 1
15 1 122 ILE HA 1 123 LYS H . . 3.200 3.484 3.481 3.491 0.291 3 0 "[ . 1 . 2]" 1
16 1 143 ALA HA 1 146 GLN H . . 3.940 3.526 2.955 3.986 0.046 14 0 "[ . 1 . 2]" 1
17 1 145 TYR H 1 146 GLN H . . 3.550 2.743 2.184 2.952 . 0 0 "[ . 1 . 2]" 1
18 1 142 GLN H 1 143 ALA H . . 4.040 2.819 2.697 2.898 . 0 0 "[ . 1 . 2]" 1
19 1 141 SER H 1 142 GLN H . . 4.080 2.639 2.574 2.779 . 0 0 "[ . 1 . 2]" 1
20 1 140 GLU H 1 141 SER H . . 4.100 2.814 2.516 2.986 . 0 0 "[ . 1 . 2]" 1
21 1 139 ARG HA 1 142 GLN H . . 4.440 3.410 3.262 3.774 . 0 0 "[ . 1 . 2]" 1
22 1 139 ARG H 1 140 GLU H . . 3.920 2.588 2.499 2.700 . 0 0 "[ . 1 . 2]" 1
23 1 137 TYR H 1 138 GLN H . . 4.020 2.790 2.736 2.840 . 0 0 "[ . 1 . 2]" 1
24 1 130 GLU H 1 131 GLN H . . 3.810 2.698 2.460 2.955 . 0 0 "[ . 1 . 2]" 1
25 1 123 LYS H 1 124 ILE H . . 3.600 2.802 2.554 2.946 . 0 0 "[ . 1 . 2]" 1
26 1 124 ILE H 1 125 MET H . . 3.560 2.570 2.499 2.882 . 0 0 "[ . 1 . 2]" 1
27 1 121 ASP HA 1 122 ILE H . . 3.310 3.533 3.525 3.547 0.237 7 0 "[ . 1 . 2]" 1
28 1 117 PHE H 1 118 THR H . . 4.200 4.403 4.335 4.497 0.297 12 0 "[ . 1 . 2]" 1
29 1 118 THR H 1 119 GLU H . . 3.350 4.586 4.495 4.644 1.294 2 20 [*+********-*********] 1
30 1 119 GLU H 1 120 THR H . . 4.290 2.747 2.727 2.773 . 0 0 "[ . 1 . 2]" 1
31 1 111 THR HA 1 112 VAL H . . 3.510 3.218 3.185 3.405 . 0 0 "[ . 1 . 2]" 1
32 1 108 LYS H 1 109 GLN H . . 3.550 2.712 2.590 2.833 . 0 0 "[ . 1 . 2]" 1
33 1 109 GLN H 1 110 HIS H . . 3.730 2.493 2.272 2.681 . 0 0 "[ . 1 . 2]" 1
34 1 108 LYS HA 1 110 HIS H . . 4.760 4.046 3.795 4.305 . 0 0 "[ . 1 . 2]" 1
35 1 104 ASN H 1 105 ILE H . . 3.830 2.858 2.560 2.965 . 0 0 "[ . 1 . 2]" 1
36 1 103 VAL H 1 104 ASN H . . 3.670 2.594 2.502 2.704 . 0 0 "[ . 1 . 2]" 1
37 1 102 CYS H 1 103 VAL H . . 3.800 2.802 2.658 2.819 . 0 0 "[ . 1 . 2]" 1
38 1 101 ASP H 1 102 CYS H . . 4.020 2.384 2.313 2.508 . 0 0 "[ . 1 . 2]" 1
39 1 99 VAL H 1 100 HIS H . . 4.020 2.670 2.639 2.817 . 0 0 "[ . 1 . 2]" 1
40 1 100 HIS H 1 101 ASP H . . 3.950 2.818 2.692 2.918 . 0 0 "[ . 1 . 2]" 1
41 1 98 PHE HZ 1 99 VAL H . . 5.180 4.814 4.739 4.874 . 0 0 "[ . 1 . 2]" 1
42 1 97 ASN H 1 98 PHE H . . 3.970 2.854 2.814 2.933 . 0 0 "[ . 1 . 2]" 1
43 1 95 GLN H 1 96 ASN H . . 3.220 2.692 2.532 2.748 . 0 0 "[ . 1 . 2]" 1
44 1 96 ASN H 1 97 ASN H . . 3.490 2.773 2.768 2.781 . 0 0 "[ . 1 . 2]" 1
45 1 85 TYR HA 1 86 TYR H . . 3.420 2.174 2.141 2.245 . 0 0 "[ . 1 . 2]" 1
46 1 82 ASN H 1 83 GLN H . . 3.320 1.984 1.889 2.239 . 0 0 "[ . 1 . 2]" 1
47 1 52 MET H 1 86 TYR H . . 4.130 3.770 3.017 4.132 0.002 8 0 "[ . 1 . 2]" 1
48 1 80 TYR H 1 80 TYR HB2 . . 3.900 3.656 3.600 3.725 . 0 0 "[ . 1 . 2]" 1
49 1 80 TYR H 1 80 TYR HB3 . . 3.900 3.317 3.222 3.423 . 0 0 "[ . 1 . 2]" 1
50 1 78 TYR H 1 78 TYR HB3 . . 3.840 2.490 2.342 2.547 . 0 0 "[ . 1 . 2]" 1
51 1 75 GLU QB 1 76 ASN H . . 4.150 2.747 2.448 3.502 . 0 0 "[ . 1 . 2]" 1
52 1 76 ASN H 1 76 ASN HD21 . . 4.410 2.139 1.905 2.791 . 0 0 "[ . 1 . 2]" 1
53 1 75 GLU H 1 76 ASN H . . 3.460 2.594 2.144 2.789 . 0 0 "[ . 1 . 2]" 1
54 1 74 ARG H 1 75 GLU H . . 3.650 2.610 2.418 2.755 . 0 0 "[ . 1 . 2]" 1
55 1 73 TYR QB 1 74 ARG H . . 3.690 2.413 2.236 2.875 . 0 0 "[ . 1 . 2]" 1
56 1 72 TYR H 1 73 TYR H . . 3.820 2.734 2.616 2.813 . 0 0 "[ . 1 . 2]" 1
57 1 85 TYR H 1 106 THR HG1 . . 3.930 3.029 2.637 3.430 . 0 0 "[ . 1 . 2]" 1
58 1 71 ARG H 1 72 TYR H . . 3.670 2.780 2.512 2.836 . 0 0 "[ . 1 . 2]" 1
59 1 70 ASP H 1 71 ARG H . . 3.190 2.669 2.545 2.868 . 0 0 "[ . 1 . 2]" 1
60 1 67 ASP HA 1 70 ASP H . . 4.240 3.836 3.600 4.041 . 0 0 "[ . 1 . 2]" 1
61 1 67 ASP H 1 68 TYR H . . 3.690 2.424 2.200 3.126 . 0 0 "[ . 1 . 2]" 1
62 1 66 ASN HA 1 67 ASP H . . 3.060 2.536 2.269 2.569 . 0 0 "[ . 1 . 2]" 1
63 1 65 GLY H 1 66 ASN H . . 3.320 2.864 2.542 3.327 0.007 16 0 "[ . 1 . 2]" 1
64 1 63 HIS HA 1 64 PHE H . . 3.310 2.166 2.141 2.171 . 0 0 "[ . 1 . 2]" 1
65 1 58 SER H 1 58 SER HB2 . . 3.900 3.053 2.378 3.830 . 0 0 "[ . 1 . 2]" 1
66 1 53 LEU HA 1 54 GLY H . . 3.500 2.285 2.142 2.502 . 0 0 "[ . 1 . 2]" 1
67 1 51 TYR HA 1 52 MET H . . 3.440 2.218 2.139 2.439 . 0 0 "[ . 1 . 2]" 1
68 1 51 TYR H 1 51 TYR HB3 . . 3.940 3.713 3.581 3.838 . 0 0 "[ . 1 . 2]" 1
69 1 51 TYR H 1 51 TYR QD . . 3.530 3.226 2.865 3.496 . 0 0 "[ . 1 . 2]" 1
70 1 50 GLY H 1 51 TYR H . . 3.390 2.502 1.898 3.256 . 0 0 "[ . 1 . 2]" 1
71 1 46 GLY H 1 47 GLY H . . 3.340 2.838 1.951 3.347 0.007 4 0 "[ . 1 . 2]" 1
72 1 45 VAL HA 1 46 GLY H . . 2.750 2.241 2.172 2.414 . 0 0 "[ . 1 . 2]" 1
73 1 43 ALA HA 1 44 VAL H . . 2.800 2.249 2.142 2.550 . 0 0 "[ . 1 . 2]" 1
74 1 42 GLY HA2 1 43 ALA H . . 3.370 2.529 2.138 3.369 . 0 0 "[ . 1 . 2]" 1
75 1 42 GLY HA3 1 43 ALA H . . 3.370 2.776 2.138 3.362 . 0 0 "[ . 1 . 2]" 1
76 1 41 ALA HA 1 42 GLY H . . 3.050 2.347 2.150 3.000 . 0 0 "[ . 1 . 2]" 1
77 1 38 ALA HA 1 39 ALA H . . 2.970 2.224 2.141 2.426 . 0 0 "[ . 1 . 2]" 1
78 1 36 ALA HA 1 37 GLY H . . 2.960 2.344 2.144 2.732 . 0 0 "[ . 1 . 2]" 1
79 1 35 VAL HA 1 36 ALA H . . 2.740 2.274 2.152 2.761 0.021 14 0 "[ . 1 . 2]" 1
80 1 32 MET HA 1 33 LYS H . . 3.050 2.396 2.142 2.919 . 0 0 "[ . 1 . 2]" 1
81 1 31 ASN HA 1 32 MET H . . 3.550 2.393 2.141 3.549 . 0 0 "[ . 1 . 2]" 1
82 1 30 THR HA 1 31 ASN H . . 3.140 2.345 2.141 2.983 . 0 0 "[ . 1 . 2]" 1
83 1 28 PRO HA 1 29 LYS H . . 2.750 2.219 2.149 2.399 . 0 0 "[ . 1 . 2]" 1
84 1 26 SER HA 1 27 LYS H . . 2.730 2.334 2.137 2.748 0.018 16 0 "[ . 1 . 2]" 1
85 1 25 PRO HA 1 26 SER H . . 2.910 2.289 2.150 2.475 . 0 0 "[ . 1 . 2]" 1
86 1 21 MET HA 1 22 SER H . . 3.390 2.344 2.139 3.564 0.174 3 0 "[ . 1 . 2]" 1
87 1 16 PRO HA 1 17 ARG H . . 2.940 2.239 2.152 2.484 . 0 0 "[ . 1 . 2]" 1
88 1 54 GLY H 1 86 TYR QD . . 4.730 4.358 3.736 4.737 0.007 11 0 "[ . 1 . 2]" 1
89 1 64 PHE HB3 1 65 GLY H . . 4.090 3.037 2.679 3.785 . 0 0 "[ . 1 . 2]" 1
90 1 143 ALA HA 1 147 ARG H . . 4.780 5.769 3.852 7.272 2.492 5 17 "[****+*** *- **.*****]" 1
91 1 145 TYR HA 1 147 ARG H . . 5.280 5.623 4.103 6.956 1.676 20 11 "[ ** . **** *.** -+]" 1
92 1 35 VAL H 1 35 VAL HB . . 3.780 3.203 2.533 3.758 . 0 0 "[ . 1 . 2]" 1
93 1 27 LYS H 1 27 LYS HB3 . . 3.950 3.419 2.425 3.929 . 0 0 "[ . 1 . 2]" 1
94 1 29 LYS H 1 29 LYS HB3 . . 3.790 3.292 2.497 3.785 . 0 0 "[ . 1 . 2]" 1
95 1 44 VAL H 1 44 VAL HB . . 3.210 2.840 2.627 3.193 . 0 0 "[ . 1 . 2]" 1
96 1 43 ALA MB 1 44 VAL H . . 3.530 2.979 2.080 3.536 0.006 4 0 "[ . 1 . 2]" 1
97 1 44 VAL H 1 44 VAL QG . . 3.150 2.596 1.998 2.977 . 0 0 "[ . 1 . 2]" 1
98 1 44 VAL QG 1 45 VAL H . . 3.010 2.458 1.950 3.009 . 0 0 "[ . 1 . 2]" 1
99 1 48 LEU H 1 48 LEU HB3 . . 3.630 3.270 2.666 3.605 . 0 0 "[ . 1 . 2]" 1
100 1 48 LEU H 1 48 LEU MD2 . . 4.610 2.981 1.943 3.707 . 0 0 "[ . 1 . 2]" 1
101 1 48 LEU HB2 1 49 GLY H . . 4.450 3.234 1.948 3.840 . 0 0 "[ . 1 . 2]" 1
102 1 48 LEU HB3 1 49 GLY H . . 4.450 3.950 3.202 4.306 . 0 0 "[ . 1 . 2]" 1
103 1 48 LEU MD1 1 49 GLY H . . 4.810 3.104 2.093 4.206 . 0 0 "[ . 1 . 2]" 1
104 1 36 ALA H 1 36 ALA MB . . 3.220 2.642 2.281 2.892 . 0 0 "[ . 1 . 2]" 1
105 1 35 VAL HB 1 36 ALA H . . 4.180 3.539 1.975 4.238 0.058 14 0 "[ . 1 . 2]" 1
106 1 50 GLY H 1 51 TYR HB2 . . 4.900 4.537 4.127 4.892 . 0 0 "[ . 1 . 2]" 1
107 1 51 TYR H 1 51 TYR HB2 . . 3.480 2.708 2.569 2.836 . 0 0 "[ . 1 . 2]" 1
108 1 51 TYR H 1 51 TYR QE . . 5.090 4.571 4.195 4.876 . 0 0 "[ . 1 . 2]" 1
109 1 53 LEU H 1 53 LEU HB2 . . 3.430 2.838 2.245 3.573 0.143 3 0 "[ . 1 . 2]" 1
110 1 130 GLU HA 1 134 ILE H . . 4.640 4.524 3.916 4.991 0.351 7 0 "[ . 1 . 2]" 1
111 1 53 LEU H 1 53 LEU HB3 . . 3.430 2.864 2.272 3.436 0.006 11 0 "[ . 1 . 2]" 1
112 1 103 VAL QG 1 134 ILE H . . 4.320 4.867 4.477 5.185 0.865 7 13 "[ * **+**1* *- ****]" 1
113 1 53 LEU H 1 53 LEU MD2 . . 4.870 3.777 1.985 4.499 . 0 0 "[ . 1 . 2]" 1
114 1 53 LEU H 1 53 LEU MD1 . . 4.870 3.840 1.915 4.325 . 0 0 "[ . 1 . 2]" 1
115 1 53 LEU MD2 1 54 GLY H . . 4.160 3.436 1.942 4.189 0.029 8 0 "[ . 1 . 2]" 1
116 1 56 VAL H 1 56 VAL MG2 . . 4.040 2.406 1.910 4.020 . 0 0 "[ . 1 . 2]" 1
117 1 55 SER HB2 1 56 VAL H . . 4.160 3.227 1.959 4.175 0.015 14 0 "[ . 1 . 2]" 1
118 1 55 SER HB3 1 56 VAL H . . 4.160 3.114 1.965 4.035 . 0 0 "[ . 1 . 2]" 1
119 1 57 MET H 1 57 MET QG . . 4.230 3.560 2.351 4.229 . 0 0 "[ . 1 . 2]" 1
120 1 56 VAL HB 1 57 MET H . . 4.040 3.207 1.949 4.038 . 0 0 "[ . 1 . 2]" 1
121 1 56 VAL MG2 1 57 MET H . . 4.030 3.632 2.080 4.098 0.068 8 0 "[ . 1 . 2]" 1
122 1 57 MET H 1 58 SER H . . 4.690 4.199 3.637 4.493 . 0 0 "[ . 1 . 2]" 1
123 1 57 MET QB 1 58 SER H . . 4.110 3.148 1.903 3.993 . 0 0 "[ . 1 . 2]" 1
124 1 57 MET ME 1 58 SER H . . 4.250 3.822 2.396 4.252 0.002 8 0 "[ . 1 . 2]" 1
125 1 59 ARG H 1 59 ARG QG . . 3.310 2.789 1.895 3.305 . 0 0 "[ . 1 . 2]" 1
126 1 59 ARG H 1 59 ARG QB . . 3.500 2.315 2.160 2.661 . 0 0 "[ . 1 . 2]" 1
127 1 61 LEU H 1 61 LEU QB . . 3.370 2.896 2.588 3.087 . 0 0 "[ . 1 . 2]" 1
128 1 60 PRO HB2 1 61 LEU H . . 4.080 3.245 2.563 3.575 . 0 0 "[ . 1 . 2]" 1
129 1 62 ILE H 1 62 ILE HB . . 3.690 3.276 3.156 3.502 . 0 0 "[ . 1 . 2]" 1
130 1 61 LEU QD 1 62 ILE H . . 3.890 3.005 2.865 3.472 . 0 0 "[ . 1 . 2]" 1
131 1 62 ILE H 1 62 ILE MD . . 4.940 4.777 4.655 4.895 . 0 0 "[ . 1 . 2]" 1
132 1 61 LEU QB 1 62 ILE H . . 4.320 3.470 3.255 3.758 . 0 0 "[ . 1 . 2]" 1
133 1 62 ILE MG 1 63 HIS H . . 4.110 3.908 3.820 4.074 . 0 0 "[ . 1 . 2]" 1
134 1 64 PHE H 1 64 PHE HB3 . . 3.910 3.587 3.537 3.611 . 0 0 "[ . 1 . 2]" 1
135 1 63 HIS H 1 64 PHE H . . 4.970 4.117 3.991 4.292 . 0 0 "[ . 1 . 2]" 1
136 1 64 PHE HB2 1 65 GLY H . . 4.090 2.242 1.927 2.754 . 0 0 "[ . 1 . 2]" 1
137 1 65 GLY H 1 70 ASP HB2 . . 4.850 3.418 3.009 4.377 . 0 0 "[ . 1 . 2]" 1
138 1 63 HIS HA 1 65 GLY H . . 4.810 4.328 3.633 4.670 . 0 0 "[ . 1 . 2]" 1
139 1 64 PHE H 1 65 GLY H . . 3.940 2.684 2.426 2.929 . 0 0 "[ . 1 . 2]" 1
140 1 66 ASN H 1 69 GLU HB2 . . 4.370 3.445 3.025 3.876 . 0 0 "[ . 1 . 2]" 1
141 1 66 ASN H 1 69 GLU HB3 . . 5.480 4.837 3.558 5.455 . 0 0 "[ . 1 . 2]" 1
142 1 66 ASN HD22 1 69 GLU HG3 . . 5.190 3.557 2.881 4.274 . 0 0 "[ . 1 . 2]" 1
143 1 66 ASN HD21 1 67 ASP H . . 5.380 5.043 4.573 5.134 . 0 0 "[ . 1 . 2]" 1
144 1 67 ASP H 1 67 ASP QB . . 3.020 2.510 2.248 2.878 . 0 0 "[ . 1 . 2]" 1
145 1 68 TYR H 1 69 GLU HB2 . . 5.100 4.902 4.663 5.022 . 0 0 "[ . 1 . 2]" 1
146 1 68 TYR H 1 68 TYR HB3 . . 3.270 2.535 2.364 2.662 . 0 0 "[ . 1 . 2]" 1
147 1 67 ASP QB 1 68 TYR H . . 3.440 2.546 1.942 3.255 . 0 0 "[ . 1 . 2]" 1
148 1 69 GLU H 1 69 GLU HB3 . . 4.020 3.576 3.490 3.591 . 0 0 "[ . 1 . 2]" 1
149 1 69 GLU H 1 69 GLU HB2 . . 3.500 2.598 2.182 2.705 . 0 0 "[ . 1 . 2]" 1
150 1 66 ASN HD22 1 69 GLU H . . 5.500 5.100 2.107 5.509 0.009 4 0 "[ . 1 . 2]" 1
151 1 61 LEU H 1 61 LEU HG . . 3.320 2.444 2.204 2.740 . 0 0 "[ . 1 . 2]" 1
152 1 69 GLU H 1 69 GLU HG3 . . 3.700 2.585 1.977 3.530 . 0 0 "[ . 1 . 2]" 1
153 1 69 GLU HB2 1 70 ASP H . . 4.070 2.711 2.378 3.124 . 0 0 "[ . 1 . 2]" 1
154 1 70 ASP H 1 70 ASP HB3 . . 3.850 2.604 2.360 2.759 . 0 0 "[ . 1 . 2]" 1
155 1 70 ASP H 1 70 ASP HB2 . . 3.540 2.520 2.368 2.815 . 0 0 "[ . 1 . 2]" 1
156 1 71 ARG H 1 71 ARG HG2 . . 4.690 4.198 2.160 4.630 . 0 0 "[ . 1 . 2]" 1
157 1 71 ARG H 1 73 TYR QB . . 5.280 5.058 4.911 5.271 . 0 0 "[ . 1 . 2]" 1
158 1 70 ASP HB2 1 71 ARG H . . 3.890 3.629 3.512 3.764 . 0 0 "[ . 1 . 2]" 1
159 1 72 TYR H 1 72 TYR HB2 . . 3.550 2.346 2.251 2.522 . 0 0 "[ . 1 . 2]" 1
160 1 72 TYR H 1 72 TYR HB3 . . 3.550 2.735 2.539 2.851 . 0 0 "[ . 1 . 2]" 1
161 1 85 TYR H 1 106 THR MG . . 4.240 3.997 3.508 4.254 0.014 15 0 "[ . 1 . 2]" 1
162 1 84 VAL QG 1 85 TYR H . . 3.900 2.333 1.920 3.330 . 0 0 "[ . 1 . 2]" 1
163 1 85 TYR H 1 106 THR HA . . 5.080 4.024 3.659 4.589 . 0 0 "[ . 1 . 2]" 1
164 1 72 TYR HB3 1 73 TYR H . . 4.240 2.469 2.270 2.792 . 0 0 "[ . 1 . 2]" 1
165 1 73 TYR H 1 73 TYR QB . . 3.270 2.237 2.198 2.254 . 0 0 "[ . 1 . 2]" 1
166 1 73 TYR H 1 74 ARG QB . . 5.500 4.780 4.425 4.997 . 0 0 "[ . 1 . 2]" 1
167 1 73 TYR H 1 75 GLU QB . . 5.500 4.717 4.351 5.468 . 0 0 "[ . 1 . 2]" 1
168 1 64 PHE QE 1 74 ARG H . . 5.500 5.440 4.512 5.527 0.027 15 0 "[ . 1 . 2]" 1
169 1 73 TYR QE 1 74 ARG H . . 5.500 5.243 4.752 5.526 0.026 10 0 "[ . 1 . 2]" 1
170 1 73 TYR QD 1 74 ARG H . . 4.160 3.372 2.766 3.698 . 0 0 "[ . 1 . 2]" 1
171 1 72 TYR H 1 74 ARG H . . 4.910 4.369 3.923 4.626 . 0 0 "[ . 1 . 2]" 1
172 1 74 ARG H 1 74 ARG HG3 . . 4.460 2.514 1.969 3.330 . 0 0 "[ . 1 . 2]" 1
173 1 74 ARG H 1 74 ARG QB . . 3.200 2.433 2.247 2.560 . 0 0 "[ . 1 . 2]" 1
174 1 75 GLU H 1 75 GLU HG2 . . 3.950 3.109 2.542 3.942 . 0 0 "[ . 1 . 2]" 1
175 1 75 GLU H 1 75 GLU HG3 . . 3.950 3.644 2.566 3.950 0.000 3 0 "[ . 1 . 2]" 1
176 1 75 GLU H 1 75 GLU QB . . 3.170 2.202 2.137 2.408 . 0 0 "[ . 1 . 2]" 1
177 1 72 TYR HA 1 75 GLU H . . 4.510 3.529 3.409 3.697 . 0 0 "[ . 1 . 2]" 1
178 1 75 GLU H 1 76 ASN HD21 . . 4.720 3.909 3.668 4.305 . 0 0 "[ . 1 . 2]" 1
179 1 75 GLU QB 1 76 ASN HD22 . . 4.980 3.469 3.055 4.837 . 0 0 "[ . 1 . 2]" 1
180 1 72 TYR HA 1 76 ASN HD21 . . 5.080 3.143 2.654 3.677 . 0 0 "[ . 1 . 2]" 1
181 1 75 GLU QB 1 77 MET H . . 5.330 4.341 4.160 4.793 . 0 0 "[ . 1 . 2]" 1
182 1 77 MET HG3 1 78 TYR H . . 4.890 4.286 2.302 4.902 0.012 18 0 "[ . 1 . 2]" 1
183 1 77 MET HG2 1 78 TYR H . . 4.890 3.893 2.545 4.878 . 0 0 "[ . 1 . 2]" 1
184 1 77 MET HB2 1 78 TYR H . . 4.730 3.905 3.634 4.116 . 0 0 "[ . 1 . 2]" 1
185 1 78 TYR H 1 78 TYR HB2 . . 3.840 3.614 3.573 3.630 . 0 0 "[ . 1 . 2]" 1
186 1 78 TYR QD 1 79 ARG H . . 4.780 3.243 2.387 3.462 . 0 0 "[ . 1 . 2]" 1
187 1 78 TYR QE 1 79 ARG H . . 5.040 4.229 4.007 4.364 . 0 0 "[ . 1 . 2]" 1
188 1 77 MET HA 1 80 TYR H . . 4.920 3.898 3.551 4.047 . 0 0 "[ . 1 . 2]" 1
189 1 78 TYR HA 1 80 TYR H . . 4.840 4.322 4.152 4.553 . 0 0 "[ . 1 . 2]" 1
190 1 80 TYR H 1 80 TYR QD . . 4.200 2.896 2.776 2.973 . 0 0 "[ . 1 . 2]" 1
191 1 83 GLN H 1 83 GLN HG3 . . 4.960 3.963 1.958 4.628 . 0 0 "[ . 1 . 2]" 1
192 1 83 GLN HG2 1 84 VAL H . . 4.900 4.054 2.178 4.903 0.003 5 0 "[ . 1 . 2]" 1
193 1 84 VAL H 1 84 VAL QG . . 3.610 2.312 2.167 2.480 . 0 0 "[ . 1 . 2]" 1
194 1 51 TYR HB3 1 86 TYR H . . 4.710 3.110 2.445 3.498 . 0 0 "[ . 1 . 2]" 1
195 1 86 TYR H 1 86 TYR QD . . 4.000 2.960 2.523 3.378 . 0 0 "[ . 1 . 2]" 1
196 1 53 LEU HA 1 86 TYR H . . 4.470 3.739 2.993 4.479 0.009 14 0 "[ . 1 . 2]" 1
197 1 85 TYR H 1 85 TYR HB2 . . 3.360 2.576 2.484 2.678 . 0 0 "[ . 1 . 2]" 1
198 1 72 TYR H 1 73 TYR QB . . 4.650 4.441 4.312 4.509 . 0 0 "[ . 1 . 2]" 1
199 1 89 VAL H 1 98 PHE QE . . 5.500 4.850 4.490 5.388 . 0 0 "[ . 1 . 2]" 1
200 1 89 VAL H 1 89 VAL HB . . 3.620 3.549 2.313 3.627 0.007 12 0 "[ . 1 . 2]" 1
201 1 95 GLN H 1 95 GLN HB2 . . 3.690 3.584 3.578 3.590 . 0 0 "[ . 1 . 2]" 1
202 1 95 GLN H 1 95 GLN HB3 . . 3.630 2.653 2.579 2.722 . 0 0 "[ . 1 . 2]" 1
203 1 94 ASN HB3 1 95 GLN H . . 4.330 2.191 1.941 3.520 . 0 0 "[ . 1 . 2]" 1
204 1 94 ASN HB2 1 95 GLN H . . 4.330 3.052 1.969 3.589 . 0 0 "[ . 1 . 2]" 1
205 1 94 ASN HB2 1 96 ASN H . . 4.300 3.011 2.550 3.437 . 0 0 "[ . 1 . 2]" 1
206 1 94 ASN HB3 1 96 ASN H . . 4.300 3.138 2.539 4.345 0.045 1 0 "[ . 1 . 2]" 1
207 1 95 GLN HE22 1 99 VAL QG . . 5.500 3.724 3.237 4.049 . 0 0 "[ . 1 . 2]" 1
208 1 95 GLN HG2 1 96 ASN H . . 4.010 3.174 2.974 3.527 . 0 0 "[ . 1 . 2]" 1
209 1 97 ASN H 1 97 ASN HB3 . . 3.610 2.837 2.348 3.555 . 0 0 "[ . 1 . 2]" 1
210 1 97 ASN H 1 97 ASN HB2 . . 3.610 2.361 2.144 2.738 . 0 0 "[ . 1 . 2]" 1
211 1 98 PHE HB2 1 99 VAL H . . 4.630 3.975 3.945 4.029 . 0 0 "[ . 1 . 2]" 1
212 1 98 PHE HB3 1 99 VAL H . . 4.630 3.849 3.807 3.869 . 0 0 "[ . 1 . 2]" 1
213 1 99 VAL H 1 99 VAL HB . . 4.020 2.538 2.415 2.581 . 0 0 "[ . 1 . 2]" 1
214 1 99 VAL HB 1 100 HIS H . . 3.860 2.769 2.459 2.800 . 0 0 "[ . 1 . 2]" 1
215 1 100 HIS H 1 100 HIS QB . . 3.330 2.245 2.137 2.255 . 0 0 "[ . 1 . 2]" 1
216 1 99 VAL QG 1 100 HIS H . . 3.970 3.313 3.083 3.342 . 0 0 "[ . 1 . 2]" 1
217 1 101 ASP H 1 101 ASP QB . . 3.580 2.367 2.190 2.742 . 0 0 "[ . 1 . 2]" 1
218 1 100 HIS QB 1 101 ASP H . . 3.970 2.440 2.224 3.399 . 0 0 "[ . 1 . 2]" 1
219 1 102 CYS H 1 102 CYS QB . . 3.540 2.238 2.222 2.246 . 0 0 "[ . 1 . 2]" 1
220 1 99 VAL QG 1 103 VAL H . . 4.140 3.820 3.662 4.148 0.008 6 0 "[ . 1 . 2]" 1
221 1 103 VAL H 1 103 VAL QG . . 3.890 1.982 1.904 2.098 . 0 0 "[ . 1 . 2]" 1
222 1 103 VAL H 1 103 VAL HB . . 3.430 2.615 2.536 2.689 . 0 0 "[ . 1 . 2]" 1
223 1 102 CYS QB 1 103 VAL H . . 4.070 2.499 2.463 2.611 . 0 0 "[ . 1 . 2]" 1
224 1 103 VAL H 1 137 TYR QB . . 4.630 9.464 9.121 9.733 5.103 6 20 [*****+***-**********] 1
225 1 104 ASN H 1 104 ASN HB3 . . 3.320 2.629 2.318 2.906 . 0 0 "[ . 1 . 2]" 1
226 1 103 VAL QG 1 104 ASN H . . 3.760 3.257 3.140 3.356 . 0 0 "[ . 1 . 2]" 1
227 1 104 ASN HB3 1 105 ILE H . . 4.400 2.369 2.173 2.903 . 0 0 "[ . 1 . 2]" 1
228 1 106 THR MG 1 107 VAL H . . 4.360 3.515 3.112 3.829 . 0 0 "[ . 1 . 2]" 1
229 1 107 VAL H 1 107 VAL MG1 . . 3.870 3.461 2.122 3.767 . 0 0 "[ . 1 . 2]" 1
230 1 106 THR HB 1 107 VAL H . . 3.890 2.507 2.387 2.656 . 0 0 "[ . 1 . 2]" 1
231 1 106 THR HG1 1 107 VAL H . . 4.600 4.129 3.972 4.341 . 0 0 "[ . 1 . 2]" 1
232 1 107 VAL HB 1 108 LYS H . . 3.920 2.985 2.445 3.902 . 0 0 "[ . 1 . 2]" 1
233 1 108 LYS H 1 108 LYS HB3 . . 3.660 3.593 3.586 3.599 . 0 0 "[ . 1 . 2]" 1
234 1 104 ASN HA 1 108 LYS H . . 5.120 4.520 4.249 4.985 . 0 0 "[ . 1 . 2]" 1
235 1 108 LYS HB2 1 109 GLN H . . 3.210 2.403 2.252 2.713 . 0 0 "[ . 1 . 2]" 1
236 1 109 GLN HB3 1 110 HIS H . . 4.210 3.789 3.603 4.088 . 0 0 "[ . 1 . 2]" 1
237 1 109 GLN HB2 1 110 HIS H . . 4.950 3.253 3.057 3.590 . 0 0 "[ . 1 . 2]" 1
238 1 110 HIS H 1 110 HIS HB3 . . 3.520 3.223 2.331 3.565 0.045 11 0 "[ . 1 . 2]" 1
239 1 110 HIS H 1 110 HIS HB2 . . 3.520 2.314 2.090 2.806 . 0 0 "[ . 1 . 2]" 1
240 1 110 HIS H 1 111 THR HA . . 5.160 5.105 4.855 5.174 0.014 8 0 "[ . 1 . 2]" 1
241 1 111 THR H 1 112 VAL QG . . 4.460 4.021 3.236 4.289 . 0 0 "[ . 1 . 2]" 1
242 1 109 GLN HA 1 111 THR H . . 5.260 4.379 3.719 4.704 . 0 0 "[ . 1 . 2]" 1
243 1 109 GLN HA 1 112 VAL H . . 4.530 3.436 3.048 3.723 . 0 0 "[ . 1 . 2]" 1
244 1 112 VAL H 1 112 VAL HB . . 3.510 2.497 2.400 3.043 . 0 0 "[ . 1 . 2]" 1
245 1 111 THR H 1 112 VAL HB . . 5.050 4.435 4.066 4.695 . 0 0 "[ . 1 . 2]" 1
246 1 112 VAL HB 1 117 PHE H . . 4.160 10.789 9.848 12.129 7.969 2 20 [-+******************] 1
247 1 112 VAL H 1 117 PHE H . . 4.730 8.681 7.737 9.688 4.958 2 20 [-+******************] 1
248 1 119 GLU H 1 119 GLU HG2 . . 4.500 2.954 1.977 4.516 0.016 3 0 "[ . 1 . 2]" 1
249 1 119 GLU HB2 1 120 THR H . . 5.170 3.824 3.622 3.978 . 0 0 "[ . 1 . 2]" 1
250 1 119 GLU HB3 1 120 THR H . . 5.170 3.623 2.647 4.102 . 0 0 "[ . 1 . 2]" 1
251 1 119 GLU HG2 1 120 THR H . . 5.500 3.104 2.328 4.384 . 0 0 "[ . 1 . 2]" 1
252 1 119 GLU HG3 1 120 THR H . . 5.500 3.298 2.109 5.225 . 0 0 "[ . 1 . 2]" 1
253 1 53 LEU MD1 1 83 GLN HE22 . . 5.100 3.526 2.277 5.046 . 0 0 "[ . 1 . 2]" 1
254 1 121 ASP H 1 122 ILE H . . 4.500 2.682 2.584 2.817 . 0 0 "[ . 1 . 2]" 1
255 1 121 ASP H 1 121 ASP HB2 . . 3.900 2.361 2.163 2.584 . 0 0 "[ . 1 . 2]" 1
256 1 122 ILE H 1 125 MET QB . . 3.590 4.490 4.158 5.530 1.940 4 20 [***+-***************] 1
257 1 121 ASP HB3 1 122 ILE H . . 4.570 3.011 2.550 3.733 . 0 0 "[ . 1 . 2]" 1
258 1 121 ASP HB2 1 122 ILE H . . 4.570 3.296 2.611 3.901 . 0 0 "[ . 1 . 2]" 1
259 1 122 ILE HB 1 123 LYS H . . 3.830 2.895 2.860 2.914 . 0 0 "[ . 1 . 2]" 1
260 1 122 ILE H 1 125 MET H . . 4.400 4.808 4.711 5.096 0.696 4 2 "[ +. 1 .- 2]" 1
261 1 122 ILE MG 1 123 LYS H . . 3.890 3.665 3.586 3.713 . 0 0 "[ . 1 . 2]" 1
262 1 123 LYS H 1 123 LYS QG . . 4.000 1.993 1.935 2.119 . 0 0 "[ . 1 . 2]" 1
263 1 122 ILE MG 1 124 ILE H . . 4.380 5.266 5.117 5.352 0.972 15 20 [**************+**-**] 1
264 1 122 ILE HB 1 124 ILE H . . 4.390 5.492 5.276 5.566 1.176 5 20 [****+*************-*] 1
265 1 122 ILE HA 1 124 ILE H . . 4.450 4.645 4.462 4.774 0.324 4 0 "[ . 1 . 2]" 1
266 1 124 ILE H 1 124 ILE HB . . 3.200 2.520 2.492 2.621 . 0 0 "[ . 1 . 2]" 1
267 1 124 ILE HB 1 125 MET H . . 3.550 2.580 2.321 2.725 . 0 0 "[ . 1 . 2]" 1
268 1 125 MET H 1 125 MET QB . . 3.420 2.330 2.125 2.534 . 0 0 "[ . 1 . 2]" 1
269 1 123 LYS HA 1 125 MET H . . 4.900 4.750 4.517 4.940 0.040 16 0 "[ . 1 . 2]" 1
270 1 124 ILE MG 1 125 MET H . . 4.180 3.463 3.142 3.684 . 0 0 "[ . 1 . 2]" 1
271 1 123 LYS HA 1 126 GLU H . . 4.330 4.000 3.568 4.144 . 0 0 "[ . 1 . 2]" 1
272 1 127 ARG H 1 127 ARG QG . . 3.600 2.285 2.017 2.613 . 0 0 "[ . 1 . 2]" 1
273 1 128 VAL H 1 128 VAL QG . . 3.540 1.954 1.887 2.036 . 0 0 "[ . 1 . 2]" 1
274 1 128 VAL H 1 128 VAL HB . . 3.230 2.596 2.565 2.668 . 0 0 "[ . 1 . 2]" 1
275 1 128 VAL HB 1 129 VAL H . . 3.880 4.001 3.947 4.072 0.192 10 0 "[ . 1 . 2]" 1
276 1 131 GLN H 1 131 GLN QG . . 3.690 2.355 1.959 2.675 . 0 0 "[ . 1 . 2]" 1
277 1 130 GLU QB 1 131 GLN H . . 3.780 2.610 2.240 3.530 . 0 0 "[ . 1 . 2]" 1
278 1 130 GLU H 1 130 GLU QB . . 3.520 2.381 2.064 2.616 . 0 0 "[ . 1 . 2]" 1
279 1 126 GLU HA 1 130 GLU H . . 4.720 4.065 3.549 4.649 . 0 0 "[ . 1 . 2]" 1
280 1 133 CYS HA 1 135 THR H . . 4.810 4.771 4.602 4.860 0.050 14 0 "[ . 1 . 2]" 1
281 1 134 ILE H 1 137 TYR H . . 5.120 5.011 4.871 5.129 0.009 12 0 "[ . 1 . 2]" 1
282 1 137 TYR H 1 137 TYR QB . . 3.610 2.244 2.222 2.251 . 0 0 "[ . 1 . 2]" 1
283 1 138 GLN H 1 140 GLU H . . 4.690 4.306 3.962 4.548 . 0 0 "[ . 1 . 2]" 1
284 1 140 GLU H 1 140 GLU HB3 . . 3.900 3.589 3.568 3.594 . 0 0 "[ . 1 . 2]" 1
285 1 140 GLU H 1 140 GLU HB2 . . 3.900 2.496 2.350 2.582 . 0 0 "[ . 1 . 2]" 1
286 1 141 SER H 1 142 GLN HB2 . . 5.500 4.532 4.402 4.723 . 0 0 "[ . 1 . 2]" 1
287 1 140 GLU HB3 1 141 SER H . . 4.820 3.553 3.050 3.783 . 0 0 "[ . 1 . 2]" 1
288 1 141 SER H 1 141 SER QB . . 3.770 2.305 2.094 2.558 . 0 0 "[ . 1 . 2]" 1
289 1 141 SER H 1 144 TYR QB . . 5.050 4.284 4.135 4.469 . 0 0 "[ . 1 . 2]" 1
290 1 142 GLN H 1 142 GLN HB3 . . 4.050 3.508 3.426 3.573 . 0 0 "[ . 1 . 2]" 1
291 1 142 GLN H 1 142 GLN HB2 . . 3.760 2.223 2.115 2.387 . 0 0 "[ . 1 . 2]" 1
292 1 143 ALA H 1 144 TYR QB . . 5.500 4.241 4.119 4.388 . 0 0 "[ . 1 . 2]" 1
293 1 89 VAL QG 1 144 TYR H . . 5.500 3.852 3.529 4.247 . 0 0 "[ . 1 . 2]" 1
294 1 144 TYR H 1 144 TYR QB . . 3.920 2.242 2.205 2.263 . 0 0 "[ . 1 . 2]" 1
295 1 144 TYR QB 1 145 TYR H . . 4.270 2.342 2.048 2.594 . 0 0 "[ . 1 . 2]" 1
296 1 145 TYR QB 1 146 GLN H . . 3.780 2.781 2.311 3.761 . 0 0 "[ . 1 . 2]" 1
297 1 146 GLN H 1 146 GLN QG . . 3.470 3.518 2.238 4.165 0.695 14 5 "[ . -**1 +. * 2]" 1
298 1 146 GLN HB2 1 147 ARG H . . 3.930 3.985 2.393 4.493 0.563 1 4 "[+ * 1 -* . 2]" 1
299 1 146 GLN HB3 1 147 ARG H . . 3.930 3.825 2.379 4.369 0.439 9 0 "[ . 1 . 2]" 1
300 1 147 ARG QB 1 148 GLY H . . 3.510 3.265 2.062 4.037 0.527 8 1 "[ . + 1 . 2]" 1
301 1 109 GLN HA 1 109 GLN HE21 . . 5.100 4.273 2.502 4.725 . 0 0 "[ . 1 . 2]" 1
302 1 109 GLN HA 1 109 GLN HE22 . . 5.100 4.537 4.182 4.914 . 0 0 "[ . 1 . 2]" 1
303 1 15 VAL H 1 15 VAL MG1 . . 4.670 3.253 2.035 3.961 . 0 0 "[ . 1 . 2]" 1
304 1 15 VAL H 1 15 VAL MG2 . . 4.670 2.843 1.961 3.994 . 0 0 "[ . 1 . 2]" 1
305 1 15 VAL H 1 15 VAL HB . . 3.780 3.147 2.528 3.780 0.000 14 0 "[ . 1 . 2]" 1
306 1 30 THR H 1 30 THR HB . . 3.900 3.250 2.649 3.946 0.046 15 0 "[ . 1 . 2]" 1
307 1 45 VAL HB 1 46 GLY H . . 4.040 3.816 2.368 4.046 0.006 4 0 "[ . 1 . 2]" 1
308 1 48 LEU H 1 49 GLY H . . 3.330 2.310 1.914 3.049 . 0 0 "[ . 1 . 2]" 1
309 1 49 GLY H 1 50 GLY H . . 3.940 3.299 2.157 3.941 0.001 4 0 "[ . 1 . 2]" 1
310 1 50 GLY H 1 51 TYR QD . . 4.210 3.747 3.464 4.216 0.006 20 0 "[ . 1 . 2]" 1
311 1 55 SER H 1 86 TYR QE . . 5.310 5.074 4.414 5.321 0.011 8 0 "[ . 1 . 2]" 1
312 1 61 LEU H 1 62 ILE H . . 4.600 2.074 1.899 2.398 . 0 0 "[ . 1 . 2]" 1
313 1 61 LEU H 1 73 TYR QE . . 5.500 4.834 4.157 5.501 0.001 13 0 "[ . 1 . 2]" 1
314 1 70 ASP HA 1 73 TYR H . . 4.610 3.589 3.442 3.903 . 0 0 "[ . 1 . 2]" 1
315 1 95 GLN HB3 1 96 ASN H . . 4.080 4.079 4.053 4.098 0.018 1 0 "[ . 1 . 2]" 1
316 1 100 HIS H 1 102 CYS QB . . 4.840 4.325 4.223 4.642 . 0 0 "[ . 1 . 2]" 1
317 1 104 ASN H 1 105 ILE HB . . 5.060 5.017 4.842 5.079 0.019 8 0 "[ . 1 . 2]" 1
318 1 105 ILE H 1 106 THR H . . 3.870 2.710 2.332 2.868 . 0 0 "[ . 1 . 2]" 1
319 1 104 ASN HA 1 107 VAL H . . 4.780 3.677 3.487 4.373 . 0 0 "[ . 1 . 2]" 1
320 1 107 VAL H 1 108 LYS HB2 . . 5.390 4.983 4.774 5.111 . 0 0 "[ . 1 . 2]" 1
321 1 108 LYS H 1 108 LYS HG3 . . 4.220 3.321 2.873 3.553 . 0 0 "[ . 1 . 2]" 1
322 1 112 VAL QG 1 118 THR H . . 4.300 10.698 9.837 12.184 7.884 2 20 [*+****-*************] 1
323 1 117 PHE HB2 1 118 THR H . . 4.680 3.217 2.510 3.924 . 0 0 "[ . 1 . 2]" 1
324 1 123 LYS H 1 125 MET H . . 4.550 4.037 3.892 4.269 . 0 0 "[ . 1 . 2]" 1
325 1 122 ILE MG 1 125 MET H . . 4.660 4.798 4.386 5.031 0.371 4 0 "[ . 1 . 2]" 1
326 1 125 MET HA 1 128 VAL H . . 4.500 3.668 3.488 3.898 . 0 0 "[ . 1 . 2]" 1
327 1 125 MET HA 1 129 VAL H . . 4.780 4.132 3.732 4.451 . 0 0 "[ . 1 . 2]" 1
328 1 135 THR H 1 137 TYR H . . 4.950 4.225 4.147 4.316 . 0 0 "[ . 1 . 2]" 1
329 1 140 GLU H 1 141 SER HA . . 5.310 5.388 5.127 5.504 0.194 15 0 "[ . 1 . 2]" 1
330 1 141 SER HA 1 145 TYR H . . 4.830 3.739 3.352 4.340 . 0 0 "[ . 1 . 2]" 1
331 1 142 GLN HA 1 145 TYR H . . 4.780 4.101 3.675 4.468 . 0 0 "[ . 1 . 2]" 1
332 1 54 GLY H 1 84 VAL H . . 4.960 3.765 2.781 4.949 . 0 0 "[ . 1 . 2]" 1
333 1 62 ILE H 1 63 HIS H . . 4.910 4.354 4.232 4.439 . 0 0 "[ . 1 . 2]" 1
334 1 137 TYR H 1 139 ARG H . . 4.670 4.298 4.197 4.443 . 0 0 "[ . 1 . 2]" 1
335 1 51 TYR HB2 1 52 MET H . . 4.340 3.941 3.350 4.349 0.009 4 0 "[ . 1 . 2]" 1
336 1 127 ARG H 1 127 ARG HB2 . . 3.500 2.498 2.376 2.721 . 0 0 "[ . 1 . 2]" 1
337 1 62 ILE MG 1 132 MET H . . 4.780 5.435 4.817 5.862 1.082 20 16 "[******** ** -*. ***+]" 1
338 1 105 ILE MG 1 106 THR H . . 3.910 3.419 3.276 3.530 . 0 0 "[ . 1 . 2]" 1
339 1 51 TYR QD 1 105 ILE MG . . 3.710 2.777 2.350 3.228 . 0 0 "[ . 1 . 2]" 1
340 1 62 ILE MD 1 62 ILE MG . . 3.330 2.164 1.937 2.421 . 0 0 "[ . 1 . 2]" 1
341 1 62 ILE MD 1 132 MET HA . . 3.480 6.205 5.777 6.644 3.164 14 20 [****-********+******] 1
342 1 106 THR H 1 106 THR HG1 . . 3.530 2.102 1.947 2.556 . 0 0 "[ . 1 . 2]" 1
343 1 85 TYR HA 1 85 TYR QD . . 3.770 2.958 2.334 3.114 . 0 0 "[ . 1 . 2]" 1
344 1 85 TYR HA 1 85 TYR QE . . 5.060 4.727 4.522 4.826 . 0 0 "[ . 1 . 2]" 1
345 1 51 TYR QD 1 85 TYR HA . . 5.190 4.991 4.572 5.196 0.006 6 0 "[ . 1 . 2]" 1
346 1 85 TYR HA 1 86 TYR QD . . 4.390 3.373 3.091 3.746 . 0 0 "[ . 1 . 2]" 1
347 1 80 TYR HA 1 80 TYR QD . . 3.780 3.698 3.650 3.718 . 0 0 "[ . 1 . 2]" 1
348 1 73 TYR HA 1 73 TYR QD . . 3.360 2.464 2.173 2.902 . 0 0 "[ . 1 . 2]" 1
349 1 62 ILE MG 1 64 PHE QD . . 4.100 3.076 2.693 3.997 . 0 0 "[ . 1 . 2]" 1
350 1 62 ILE MG 1 64 PHE QE . . 3.790 2.169 1.918 3.153 . 0 0 "[ . 1 . 2]" 1
351 1 62 ILE MG 1 64 PHE HZ . . 4.260 3.301 2.816 3.679 . 0 0 "[ . 1 . 2]" 1
352 1 85 TYR QD 1 105 ILE MG . . 3.910 2.421 1.951 2.845 . 0 0 "[ . 1 . 2]" 1
353 1 51 TYR QE 1 105 ILE MG . . 3.630 2.835 2.464 3.191 . 0 0 "[ . 1 . 2]" 1
354 1 105 ILE MG 1 106 THR HG1 . . 4.620 3.807 3.648 4.630 0.010 19 0 "[ . 1 . 2]" 1
355 1 51 TYR QE 1 105 ILE MD . . 3.700 2.644 2.221 3.230 . 0 0 "[ . 1 . 2]" 1
356 1 62 ILE MD 1 64 PHE HZ . . 3.920 2.496 2.257 2.857 . 0 0 "[ . 1 . 2]" 1
357 1 104 ASN HD22 1 105 ILE MD . . 5.500 4.764 2.989 5.505 0.005 11 0 "[ . 1 . 2]" 1
358 1 62 ILE MD 1 64 PHE QE . . 3.780 2.680 1.895 2.949 . 0 0 "[ . 1 . 2]" 1
359 1 51 TYR QD 1 105 ILE MD . . 4.170 3.349 2.845 3.533 . 0 0 "[ . 1 . 2]" 1
360 1 62 ILE MD 1 131 GLN H . . 4.560 3.733 3.349 4.064 . 0 0 "[ . 1 . 2]" 1
361 1 72 TYR HA 1 72 TYR QD . . 3.450 3.057 2.868 3.135 . 0 0 "[ . 1 . 2]" 1
362 1 64 PHE H 1 64 PHE QD . . 3.700 2.594 1.950 3.237 . 0 0 "[ . 1 . 2]" 1
363 1 64 PHE H 1 66 ASN H . . 5.420 4.940 4.286 5.394 . 0 0 "[ . 1 . 2]" 1
364 1 54 GLY H 1 86 TYR QE . . 4.140 2.740 2.210 3.384 . 0 0 "[ . 1 . 2]" 1
365 1 86 TYR H 1 86 TYR QE . . 4.640 4.342 4.016 4.643 0.003 9 0 "[ . 1 . 2]" 1
366 1 86 TYR QE 1 144 TYR H . . 5.500 8.383 7.749 8.918 3.418 8 20 [*******+-***********] 1
367 1 64 PHE HZ 1 73 TYR QD . . 4.140 3.596 3.057 4.105 . 0 0 "[ . 1 . 2]" 1
368 1 68 TYR HA 1 68 TYR QD . . 3.160 3.026 2.863 3.140 . 0 0 "[ . 1 . 2]" 1
369 1 64 PHE HA 1 64 PHE QD . . 3.420 2.811 2.097 3.100 . 0 0 "[ . 1 . 2]" 1
370 1 51 TYR QD 1 52 MET H . . 4.570 4.178 3.927 4.368 . 0 0 "[ . 1 . 2]" 1
371 1 85 TYR H 1 85 TYR QD . . 3.830 2.381 2.029 3.338 . 0 0 "[ . 1 . 2]" 1
372 1 81 PRO HA 1 83 GLN H . . 4.370 4.150 3.885 4.375 0.005 15 0 "[ . 1 . 2]" 1
373 1 136 GLN H 1 137 TYR H . . 3.790 2.445 2.368 2.528 . 0 0 "[ . 1 . 2]" 1
374 1 100 HIS HA 1 103 VAL H . . 4.510 4.235 3.965 4.359 . 0 0 "[ . 1 . 2]" 1
375 1 129 VAL HA 1 133 CYS H . . 4.870 4.771 4.451 5.098 0.228 20 0 "[ . 1 . 2]" 1
376 1 123 LYS H 1 123 LYS HB3 . . 3.610 3.590 3.587 3.601 . 0 0 "[ . 1 . 2]" 1
377 1 123 LYS H 1 123 LYS HB2 . . 3.610 2.593 2.524 2.652 . 0 0 "[ . 1 . 2]" 1
378 1 123 LYS H 1 123 LYS HG2 . . 4.520 2.008 1.945 2.143 . 0 0 "[ . 1 . 2]" 1
379 1 123 LYS H 1 123 LYS HG3 . . 4.520 3.372 3.207 3.500 . 0 0 "[ . 1 . 2]" 1
380 1 52 MET H 1 52 MET QG . . 4.100 3.958 3.013 4.093 . 0 0 "[ . 1 . 2]" 1
381 1 99 VAL QG 1 137 TYR H . . 4.740 4.003 3.738 4.186 . 0 0 "[ . 1 . 2]" 1
382 1 73 TYR H 1 128 VAL QG . . 4.540 6.598 6.209 6.912 2.372 16 20 [****-**********+****] 1
383 1 48 LEU MD2 1 49 GLY H . . 4.810 4.037 3.272 4.812 0.002 6 0 "[ . 1 . 2]" 1
384 1 30 THR MG 1 31 ASN H . . 4.630 3.519 2.209 4.283 . 0 0 "[ . 1 . 2]" 1
385 1 97 ASN H 1 99 VAL QG . . 5.430 4.472 4.400 4.557 . 0 0 "[ . 1 . 2]" 1
386 1 99 VAL QG 1 141 SER H . . 5.500 7.231 6.992 7.458 1.958 5 20 [****+******-********] 1
387 1 35 VAL QG 1 36 ALA H . . 3.730 2.676 1.992 3.717 . 0 0 "[ . 1 . 2]" 1
388 1 100 HIS H 1 103 VAL QG . . 5.300 5.017 4.586 5.198 . 0 0 "[ . 1 . 2]" 1
389 1 36 ALA MB 1 37 GLY H . . 3.970 2.863 2.177 3.719 . 0 0 "[ . 1 . 2]" 1
390 1 95 GLN HB2 1 96 ASN H . . 4.080 3.745 3.661 3.796 . 0 0 "[ . 1 . 2]" 1
391 1 105 ILE H 1 105 ILE HB . . 3.560 2.562 2.475 2.624 . 0 0 "[ . 1 . 2]" 1
392 1 95 GLN HG3 1 97 ASN H . . 4.890 4.648 4.546 4.740 . 0 0 "[ . 1 . 2]" 1
393 1 56 VAL H 1 56 VAL HB . . 3.720 3.431 2.687 3.752 0.032 8 0 "[ . 1 . 2]" 1
394 1 119 GLU QB 1 120 THR H . . 3.830 3.237 2.599 3.552 . 0 0 "[ . 1 . 2]" 1
395 1 129 VAL H 1 130 GLU QB . . 4.960 4.689 4.284 5.237 0.277 4 0 "[ . 1 . 2]" 1
396 1 83 GLN HG3 1 84 VAL H . . 4.900 3.452 1.956 4.902 0.002 10 0 "[ . 1 . 2]" 1
397 1 89 VAL H 1 144 TYR QB . . 4.850 4.040 3.527 4.877 0.027 8 0 "[ . 1 . 2]" 1
398 1 140 GLU HB2 1 141 SER H . . 4.820 2.587 2.245 2.814 . 0 0 "[ . 1 . 2]" 1
399 1 57 MET HB2 1 58 SER H . . 5.270 3.761 1.912 4.533 . 0 0 "[ . 1 . 2]" 1
400 1 57 MET HB3 1 58 SER H . . 5.270 3.690 1.944 4.435 . 0 0 "[ . 1 . 2]" 1
401 1 72 TYR HB2 1 73 TYR H . . 4.240 3.661 3.456 3.890 . 0 0 "[ . 1 . 2]" 1
402 1 57 MET H 1 57 MET HG3 . . 5.000 4.203 3.369 4.997 . 0 0 "[ . 1 . 2]" 1
403 1 57 MET HG3 1 58 SER H . . 4.820 3.804 2.331 4.838 0.018 14 0 "[ . 1 . 2]" 1
404 1 85 TYR HB3 1 86 TYR H . . 4.450 3.193 2.858 3.412 . 0 0 "[ . 1 . 2]" 1
405 1 96 ASN HB3 1 97 ASN H . . 3.930 3.375 2.895 3.983 0.053 11 0 "[ . 1 . 2]" 1
406 1 57 MET HG2 1 58 SER H . . 4.820 4.070 2.772 4.824 0.004 7 0 "[ . 1 . 2]" 1
407 1 51 TYR HB2 1 86 TYR H . . 4.430 4.026 3.595 4.433 0.003 18 0 "[ . 1 . 2]" 1
408 1 95 GLN HA 1 98 PHE H . . 5.500 3.648 3.574 3.669 . 0 0 "[ . 1 . 2]" 1
409 1 68 TYR H 1 68 TYR HB2 . . 3.280 2.548 2.415 2.732 . 0 0 "[ . 1 . 2]" 1
410 1 138 GLN HA 1 141 SER H . . 4.460 3.937 3.607 4.196 . 0 0 "[ . 1 . 2]" 1
411 1 12 SER H 1 12 SER QB . . 3.500 2.609 2.151 3.385 . 0 0 "[ . 1 . 2]" 1
412 1 36 ALA H 1 37 GLY QA . . 5.220 4.467 4.156 4.877 . 0 0 "[ . 1 . 2]" 1
413 1 103 VAL HA 1 107 VAL H . . 4.750 3.889 2.940 4.084 . 0 0 "[ . 1 . 2]" 1
414 1 103 VAL HA 1 105 ILE H . . 4.820 4.655 3.979 4.855 0.035 11 0 "[ . 1 . 2]" 1
415 1 56 VAL HA 1 57 MET H . . 3.070 2.355 2.171 3.170 0.100 11 0 "[ . 1 . 2]" 1
416 1 136 GLN HA 1 140 GLU H . . 4.740 4.135 3.928 4.340 . 0 0 "[ . 1 . 2]" 1
417 1 83 GLN HA 1 84 VAL H . . 3.390 2.327 2.211 2.452 . 0 0 "[ . 1 . 2]" 1
418 1 88 PRO HA 1 89 VAL H . . 3.320 2.179 2.155 2.254 . 0 0 "[ . 1 . 2]" 1
419 1 33 LYS HA 1 34 HIS H . . 3.470 2.211 2.143 2.355 . 0 0 "[ . 1 . 2]" 1
420 1 119 GLU HA 1 120 THR H . . 2.990 3.506 3.473 3.527 0.537 6 13 "[- * .+* *1*** * ****]" 1
421 1 22 SER HA 1 23 ASN H . . 2.900 2.219 2.140 2.534 . 0 0 "[ . 1 . 2]" 1
422 1 17 ARG HA 1 18 GLY H . . 3.280 2.307 2.147 2.743 . 0 0 "[ . 1 . 2]" 1
423 1 68 TYR H 1 68 TYR QD . . 4.280 4.186 4.139 4.204 . 0 0 "[ . 1 . 2]" 1
424 1 86 TYR QD 1 89 VAL H . . 5.500 5.420 4.761 5.524 0.024 18 0 "[ . 1 . 2]" 1
425 1 66 ASN H 1 67 ASP H . . 4.640 4.541 4.454 4.595 . 0 0 "[ . 1 . 2]" 1
426 1 73 TYR H 1 74 ARG H . . 3.950 2.820 2.520 2.940 . 0 0 "[ . 1 . 2]" 1
427 1 98 PHE QE 1 141 SER H . . 4.310 5.823 5.500 6.068 1.758 5 20 [****+**-************] 1
428 1 129 VAL H 1 130 GLU H . . 3.890 2.748 2.541 2.924 . 0 0 "[ . 1 . 2]" 1
429 1 49 GLY H 1 51 TYR H . . 5.080 4.656 4.078 5.080 . 0 0 "[ . 1 . 2]" 1
430 1 127 ARG H 1 130 GLU H . . 5.500 4.790 4.588 5.104 . 0 0 "[ . 1 . 2]" 1
431 1 58 SER H 1 59 ARG H . . 4.010 2.439 1.897 4.300 0.290 14 0 "[ . 1 . 2]" 1
432 1 132 MET H 1 133 CYS H . . 3.700 2.532 2.375 2.760 . 0 0 "[ . 1 . 2]" 1
433 1 131 GLN H 1 132 MET H . . 3.520 2.700 2.618 2.832 . 0 0 "[ . 1 . 2]" 1
434 1 120 THR HA 1 121 ASP H . . 3.080 3.526 3.491 3.550 0.470 20 0 "[ . 1 . 2]" 1
435 1 44 VAL HA 1 45 VAL H . . 2.680 2.181 2.141 2.251 . 0 0 "[ . 1 . 2]" 1
436 1 54 GLY HA2 1 55 SER H . . 3.310 2.698 2.137 3.359 0.049 14 0 "[ . 1 . 2]" 1
437 1 128 VAL HA 1 132 MET H . . 4.530 3.932 3.483 4.393 . 0 0 "[ . 1 . 2]" 1
438 1 63 HIS H 1 63 HIS HB2 . . 3.810 2.794 2.441 3.151 . 0 0 "[ . 1 . 2]" 1
439 1 68 TYR HB2 1 69 GLU H . . 3.950 3.744 3.664 3.855 . 0 0 "[ . 1 . 2]" 1
440 1 68 TYR HB3 1 69 GLU H . . 3.700 2.380 2.280 2.450 . 0 0 "[ . 1 . 2]" 1
441 1 63 HIS H 1 63 HIS HB3 . . 3.810 3.023 2.603 3.745 . 0 0 "[ . 1 . 2]" 1
442 1 121 ASP H 1 121 ASP HB3 . . 3.900 3.087 2.541 3.593 . 0 0 "[ . 1 . 2]" 1
443 1 67 ASP QB 1 69 GLU H . . 5.500 4.829 4.513 5.306 . 0 0 "[ . 1 . 2]" 1
444 1 69 GLU H 1 69 GLU HG2 . . 3.700 2.647 1.944 3.738 0.038 1 0 "[ . 1 . 2]" 1
445 1 131 GLN HB3 1 132 MET H . . 3.660 3.656 3.264 3.920 0.260 11 0 "[ . 1 . 2]" 1
446 1 45 VAL H 1 45 VAL HB . . 3.330 2.899 2.502 3.606 0.276 13 0 "[ . 1 . 2]" 1
447 1 131 GLN HB2 1 132 MET H . . 3.660 2.800 2.498 2.953 . 0 0 "[ . 1 . 2]" 1
448 1 131 GLN QG 1 132 MET H . . 4.550 4.218 3.890 4.428 . 0 0 "[ . 1 . 2]" 1
449 1 38 ALA MB 1 39 ALA H . . 3.360 2.947 2.469 3.355 . 0 0 "[ . 1 . 2]" 1
450 1 62 ILE HG12 1 63 HIS H . . 4.700 3.092 2.781 3.503 . 0 0 "[ . 1 . 2]" 1
451 1 62 ILE MD 1 132 MET H . . 4.250 4.735 4.342 5.292 1.042 14 10 "[* **. * ** +. * -*]" 1
452 1 54 GLY H 1 85 TYR HA . . 5.040 4.686 4.280 5.044 0.004 15 0 "[ . 1 . 2]" 1
453 1 106 THR H 1 107 VAL H . . 3.730 2.715 2.649 2.841 . 0 0 "[ . 1 . 2]" 1
454 1 72 TYR QD 1 73 TYR H . . 4.070 3.625 3.177 3.875 . 0 0 "[ . 1 . 2]" 1
455 1 73 TYR H 1 73 TYR QD . . 4.350 4.179 4.116 4.196 . 0 0 "[ . 1 . 2]" 1
456 1 133 CYS H 1 134 ILE H . . 3.880 2.570 2.497 2.710 . 0 0 "[ . 1 . 2]" 1
457 1 128 VAL H 1 129 VAL H . . 3.660 2.738 2.577 2.801 . 0 0 "[ . 1 . 2]" 1
458 1 107 VAL H 1 108 LYS H . . 3.670 2.711 2.582 2.882 . 0 0 "[ . 1 . 2]" 1
459 1 72 TYR H 1 72 TYR QD . . 4.380 4.131 4.045 4.199 . 0 0 "[ . 1 . 2]" 1
460 1 89 VAL H 1 98 PHE QD . . 5.500 4.708 4.240 5.191 . 0 0 "[ . 1 . 2]" 1
461 1 97 ASN H 1 98 PHE QD . . 5.500 4.268 4.134 4.307 . 0 0 "[ . 1 . 2]" 1
462 1 85 TYR QD 1 86 TYR H . . 5.110 4.278 4.086 4.542 . 0 0 "[ . 1 . 2]" 1
463 1 70 ASP H 1 72 TYR H . . 4.310 3.932 3.742 4.154 . 0 0 "[ . 1 . 2]" 1
464 1 68 TYR QD 1 69 GLU H . . 4.000 3.133 2.772 3.333 . 0 0 "[ . 1 . 2]" 1
465 1 64 PHE QE 1 132 MET H . . 4.880 8.057 7.410 8.358 3.478 20 20 [********-**********+] 1
466 1 48 LEU H 1 51 TYR QE . . 5.500 5.480 5.360 5.506 0.006 8 0 "[ . 1 . 2]" 1
467 1 64 PHE HZ 1 132 MET H . . 5.160 8.427 7.652 9.022 3.862 4 20 [***+****-***********] 1
468 1 134 ILE H 1 135 THR H . . 3.940 2.626 2.544 2.708 . 0 0 "[ . 1 . 2]" 1
469 1 135 THR H 1 136 GLN H . . 3.770 2.727 2.711 2.747 . 0 0 "[ . 1 . 2]" 1
470 1 125 MET H 1 126 GLU H . . 3.720 2.796 2.682 2.900 . 0 0 "[ . 1 . 2]" 1
471 1 110 HIS H 1 111 THR H . . 3.400 2.444 2.135 2.553 . 0 0 "[ . 1 . 2]" 1
472 1 147 ARG H 1 148 GLY H . . 3.290 3.966 2.036 4.620 1.330 20 15 "[*-***** *** **** +]" 1
473 1 126 GLU H 1 127 ARG H . . 3.660 2.600 2.463 2.761 . 0 0 "[ . 1 . 2]" 1
474 1 111 THR H 1 112 VAL H . . 3.170 2.380 1.895 2.544 . 0 0 "[ . 1 . 2]" 1
475 1 73 TYR QD 1 80 TYR QE . . 3.570 3.406 2.775 3.639 0.069 13 0 "[ . 1 . 2]" 1
476 1 64 PHE HZ 1 131 GLN H . . 5.500 7.628 7.152 8.131 2.631 4 20 [***+****-***********] 1
477 1 66 ASN H 1 66 ASN HD21 . . 4.090 2.540 1.971 4.308 0.218 18 0 "[ . 1 . 2]" 1
478 1 79 ARG H 1 80 TYR H . . 3.410 2.645 2.352 2.715 . 0 0 "[ . 1 . 2]" 1
479 1 78 TYR H 1 78 TYR QD . . 3.210 2.256 1.924 2.324 . 0 0 "[ . 1 . 2]" 1
480 1 86 TYR QD 1 98 PHE QE . . 4.320 4.078 3.543 4.333 0.013 15 0 "[ . 1 . 2]" 1
481 1 107 VAL HA 1 110 HIS H . . 4.540 3.413 3.179 3.638 . 0 0 "[ . 1 . 2]" 1
482 1 77 MET HA 1 80 TYR QD . . 3.500 3.492 3.370 3.556 0.056 13 0 "[ . 1 . 2]" 1
483 1 80 TYR QD 1 129 VAL HA . . 5.410 7.916 7.576 8.436 3.026 11 20 [**********+******-**] 1
484 1 68 TYR QD 1 69 GLU HA . . 3.990 2.915 2.797 3.149 . 0 0 "[ . 1 . 2]" 1
485 1 64 PHE QE 1 128 VAL HA . . 3.870 4.739 4.407 5.049 1.179 4 20 [***+*-**************] 1
486 1 69 GLU HA 1 72 TYR QD . . 5.280 4.756 4.207 4.988 . 0 0 "[ . 1 . 2]" 1
487 1 68 TYR QE 1 69 GLU HA . . 4.610 4.373 3.869 4.615 0.005 4 0 "[ . 1 . 2]" 1
488 1 77 MET HA 1 80 TYR QE . . 4.120 2.308 2.025 2.557 . 0 0 "[ . 1 . 2]" 1
489 1 52 MET HA 1 53 LEU H . . 3.100 2.216 2.141 2.550 . 0 0 "[ . 1 . 2]" 1
490 1 106 THR H 1 106 THR HB . . 3.470 2.636 2.486 2.898 . 0 0 "[ . 1 . 2]" 1
491 1 51 TYR HA 1 51 TYR QD . . 3.680 2.335 2.148 2.638 . 0 0 "[ . 1 . 2]" 1
492 1 48 LEU H 1 48 LEU MD1 . . 4.610 3.309 2.404 3.763 . 0 0 "[ . 1 . 2]" 1
493 1 64 PHE QD 1 128 VAL QG . . 5.340 5.508 5.187 5.846 0.506 17 1 "[ . 1 . + 2]" 1
494 1 62 ILE HG12 1 64 PHE QD . . 4.550 3.217 2.928 3.474 . 0 0 "[ . 1 . 2]" 1
495 1 62 ILE MD 1 73 TYR QD . . 5.060 4.543 4.151 5.083 0.023 5 0 "[ . 1 . 2]" 1
496 1 62 ILE MD 1 64 PHE QD . . 4.920 3.656 3.203 3.890 . 0 0 "[ . 1 . 2]" 1
497 1 53 LEU MD2 1 83 GLN HE22 . . 5.100 3.923 2.188 5.099 . 0 0 "[ . 1 . 2]" 1
498 1 48 LEU MD2 1 85 TYR QD . . 4.550 3.531 2.204 4.520 . 0 0 "[ . 1 . 2]" 1
499 1 48 LEU MD2 1 85 TYR QE . . 4.470 2.731 1.961 4.474 0.004 20 0 "[ . 1 . 2]" 1
500 1 48 LEU MD2 1 51 TYR QE . . 4.930 3.973 1.902 4.929 . 0 0 "[ . 1 . 2]" 1
501 1 73 TYR QD 1 128 VAL QG . . 3.790 3.214 2.703 3.495 . 0 0 "[ . 1 . 2]" 1
502 1 62 ILE HG12 1 64 PHE QE . . 3.290 3.037 2.759 3.295 0.005 10 0 "[ . 1 . 2]" 1
503 1 64 PHE QE 1 128 VAL QG . . 3.400 3.976 3.658 4.332 0.932 17 11 "[* *-** 1* * * +**2]" 1
504 1 48 LEU MD1 1 85 TYR QE . . 4.470 2.852 1.925 4.466 . 0 0 "[ . 1 . 2]" 1
505 1 72 TYR QD 1 128 VAL QG . . 3.960 6.258 5.928 6.726 2.766 4 20 [***+****-***********] 1
506 1 15 VAL H 1 15 VAL QG . . 3.650 2.382 1.942 2.834 . 0 0 "[ . 1 . 2]" 1
507 1 35 VAL H 1 35 VAL QG . . 3.500 2.312 1.964 2.927 . 0 0 "[ . 1 . 2]" 1
508 1 99 VAL QG 1 102 CYS H . . 4.580 4.062 3.936 4.220 . 0 0 "[ . 1 . 2]" 1
509 1 111 THR H 1 111 THR MG . . 3.690 2.641 2.201 3.205 . 0 0 "[ . 1 . 2]" 1
510 1 112 VAL H 1 112 VAL QG . . 2.970 2.285 2.125 2.544 . 0 0 "[ . 1 . 2]" 1
511 1 61 LEU QD 1 82 ASN HD21 . . 3.830 2.706 2.305 3.365 . 0 0 "[ . 1 . 2]" 1
512 1 61 LEU QD 1 73 TYR QD . . 5.450 4.632 4.301 4.882 . 0 0 "[ . 1 . 2]" 1
513 1 61 LEU QD 1 73 TYR QE . . 3.600 3.042 2.756 3.279 . 0 0 "[ . 1 . 2]" 1
514 1 61 LEU QD 1 82 ASN HD22 . . 3.830 2.150 1.837 3.516 . 0 0 "[ . 1 . 2]" 1
515 1 62 ILE HB 1 64 PHE QE . . 4.540 4.483 4.261 4.634 0.094 5 0 "[ . 1 . 2]" 1
516 1 30 THR H 1 30 THR MG . . 4.010 3.066 2.010 3.971 . 0 0 "[ . 1 . 2]" 1
517 1 109 GLN H 1 112 VAL QG . . 4.960 4.669 3.878 4.965 0.005 16 0 "[ . 1 . 2]" 1
518 1 48 LEU MD1 1 51 TYR QE . . 4.930 3.656 3.078 4.508 . 0 0 "[ . 1 . 2]" 1
519 1 39 ALA MB 1 40 ALA H . . 3.440 2.953 2.125 3.396 . 0 0 "[ . 1 . 2]" 1
520 1 69 GLU HB3 1 70 ASP H . . 4.420 3.781 3.515 4.065 . 0 0 "[ . 1 . 2]" 1
521 1 147 ARG QB 1 149 ALA H . . 5.370 5.141 2.771 6.725 1.355 7 6 "[** *. + 1 *. -]" 1
522 1 79 ARG H 1 79 ARG HG3 . . 4.720 4.401 3.846 4.592 . 0 0 "[ . 1 . 2]" 1
523 1 64 PHE QE 1 69 GLU HB3 . . 4.470 3.268 2.726 4.083 . 0 0 "[ . 1 . 2]" 1
524 1 64 PHE QD 1 69 GLU HB3 . . 4.340 2.199 1.992 2.731 . 0 0 "[ . 1 . 2]" 1
525 1 66 ASN HD22 1 69 GLU HB3 . . 4.920 4.492 4.014 5.101 0.181 18 0 "[ . 1 . 2]" 1
526 1 48 LEU H 1 48 LEU HG . . 3.240 2.029 1.946 2.291 . 0 0 "[ . 1 . 2]" 1
527 1 108 LYS HG3 1 109 GLN H . . 4.930 4.559 4.157 4.882 . 0 0 "[ . 1 . 2]" 1
528 1 108 LYS HG2 1 109 GLN H . . 5.130 4.236 4.088 4.364 . 0 0 "[ . 1 . 2]" 1
529 1 106 THR H 1 108 LYS HG2 . . 5.300 5.277 5.108 5.360 0.060 5 0 "[ . 1 . 2]" 1
530 1 108 LYS H 1 108 LYS HG2 . . 4.020 2.169 1.962 2.277 . 0 0 "[ . 1 . 2]" 1
531 1 77 MET H 1 77 MET HB3 . . 3.910 2.566 2.324 2.814 . 0 0 "[ . 1 . 2]" 1
532 1 77 MET HB3 1 78 TYR H . . 4.730 2.869 2.458 4.047 . 0 0 "[ . 1 . 2]" 1
533 1 71 ARG H 1 71 ARG HG3 . . 4.690 3.927 2.477 4.593 . 0 0 "[ . 1 . 2]" 1
534 1 71 ARG H 1 71 ARG QB . . 3.150 2.260 2.185 2.464 . 0 0 "[ . 1 . 2]" 1
535 1 142 GLN HB3 1 143 ALA H . . 4.170 3.106 2.849 3.404 . 0 0 "[ . 1 . 2]" 1
536 1 119 GLU H 1 119 GLU QB . . 3.370 2.396 2.181 2.575 . 0 0 "[ . 1 . 2]" 1
537 1 52 MET HB2 1 53 LEU H . . 4.620 4.318 3.819 4.602 . 0 0 "[ . 1 . 2]" 1
538 1 117 PHE H 1 117 PHE HB3 . . 3.850 3.863 3.614 3.943 0.093 5 0 "[ . 1 . 2]" 1
539 1 127 ARG HB2 1 128 VAL H . . 3.550 2.285 2.180 2.457 . 0 0 "[ . 1 . 2]" 1
540 1 117 PHE H 1 117 PHE HB2 . . 3.850 2.874 2.607 3.011 . 0 0 "[ . 1 . 2]" 1
541 1 108 LYS H 1 108 LYS HB2 . . 3.210 2.531 2.451 2.639 . 0 0 "[ . 1 . 2]" 1
542 1 74 ARG H 1 74 ARG HG2 . . 4.460 3.204 2.072 4.078 . 0 0 "[ . 1 . 2]" 1
543 1 77 MET H 1 77 MET HB2 . . 3.910 2.631 2.266 3.589 . 0 0 "[ . 1 . 2]" 1
544 1 77 MET H 1 77 MET HG2 . . 4.840 4.184 2.144 4.615 . 0 0 "[ . 1 . 2]" 1
545 1 66 ASN HD21 1 69 GLU HB2 . . 4.040 2.083 1.929 2.333 . 0 0 "[ . 1 . 2]" 1
546 1 66 ASN HD22 1 69 GLU HB2 . . 4.600 3.668 3.348 4.021 . 0 0 "[ . 1 . 2]" 1
547 1 73 TYR QD 1 74 ARG HG3 . . 4.220 3.194 2.008 4.217 . 0 0 "[ . 1 . 2]" 1
548 1 48 LEU HG 1 51 TYR QD . . 5.060 4.534 3.955 4.919 . 0 0 "[ . 1 . 2]" 1
549 1 51 TYR QD 1 105 ILE HB . . 5.500 5.003 4.581 5.338 . 0 0 "[ . 1 . 2]" 1
550 1 48 LEU HG 1 85 TYR QE . . 5.080 4.682 4.164 5.070 . 0 0 "[ . 1 . 2]" 1
551 1 68 TYR QD 1 69 GLU HG3 . . 4.230 4.118 3.575 4.270 0.040 18 0 "[ . 1 . 2]" 1
552 1 131 GLN H 1 131 GLN HB3 . . 3.770 3.572 3.528 3.590 . 0 0 "[ . 1 . 2]" 1
553 1 131 GLN H 1 131 GLN HB2 . . 3.770 2.411 2.246 2.604 . 0 0 "[ . 1 . 2]" 1
554 1 64 PHE QD 1 69 GLU HB2 . . 4.420 2.979 2.516 3.836 . 0 0 "[ . 1 . 2]" 1
555 1 146 GLN QB 1 147 ARG H . . 3.230 3.384 2.346 3.762 0.532 1 6 "[+ .* 1 ** . *-2]" 1
556 1 85 TYR QE 1 109 GLN HB3 . . 3.750 3.302 2.316 3.754 0.004 18 0 "[ . 1 . 2]" 1
557 1 64 PHE QE 1 131 GLN QG . . 4.330 5.351 4.484 5.706 1.376 7 19 [****.*+************-] 1
558 1 73 TYR QD 1 74 ARG HG2 . . 4.220 3.319 2.425 4.132 . 0 0 "[ . 1 . 2]" 1
559 1 109 GLN H 1 109 GLN HB2 . . 3.680 2.219 2.167 2.341 . 0 0 "[ . 1 . 2]" 1
560 1 109 GLN H 1 112 VAL HB . . 5.500 4.796 4.275 5.518 0.018 11 0 "[ . 1 . 2]" 1
561 1 141 SER QB 1 142 GLN H . . 3.600 2.955 2.415 3.431 . 0 0 "[ . 1 . 2]" 1
562 1 125 MET QB 1 126 GLU H . . 3.940 2.587 2.345 3.488 . 0 0 "[ . 1 . 2]" 1
563 1 103 VAL HB 1 104 ASN H . . 3.420 2.597 2.398 2.810 . 0 0 "[ . 1 . 2]" 1
564 1 77 MET H 1 77 MET HG3 . . 4.840 4.254 3.111 4.576 . 0 0 "[ . 1 . 2]" 1
565 1 85 TYR QE 1 109 GLN HB2 . . 3.990 2.997 2.513 3.336 . 0 0 "[ . 1 . 2]" 1
566 1 109 GLN HB2 1 109 GLN HE21 . . 4.470 2.846 2.138 4.220 . 0 0 "[ . 1 . 2]" 1
567 1 109 GLN HB2 1 109 GLN HE22 . . 4.470 3.923 3.538 4.414 . 0 0 "[ . 1 . 2]" 1
568 1 76 ASN HB2 1 80 TYR QE . . 4.570 2.853 2.142 3.974 . 0 0 "[ . 1 . 2]" 1
569 1 51 TYR QD 1 85 TYR HB3 . . 3.840 2.948 2.467 3.243 . 0 0 "[ . 1 . 2]" 1
570 1 51 TYR QD 1 85 TYR HB2 . . 4.240 3.907 3.454 4.243 0.003 3 0 "[ . 1 . 2]" 1
571 1 68 TYR QD 1 69 GLU HG2 . . 4.230 3.124 2.484 3.750 . 0 0 "[ . 1 . 2]" 1
572 1 67 ASP QB 1 70 ASP H . . 5.500 4.997 4.606 5.333 . 0 0 "[ . 1 . 2]" 1
573 1 67 ASP QB 1 71 ARG H . . 4.760 4.645 4.518 4.764 0.004 20 0 "[ . 1 . 2]" 1
574 1 66 ASN HD22 1 69 GLU HG2 . . 5.190 4.707 3.826 5.031 . 0 0 "[ . 1 . 2]" 1
575 1 84 VAL HB 1 86 TYR QD . . 5.240 4.676 3.460 5.245 0.005 16 0 "[ . 1 . 2]" 1
576 1 68 TYR QD 1 72 TYR HB2 . . 4.840 3.604 2.939 4.130 . 0 0 "[ . 1 . 2]" 1
577 1 68 TYR QD 1 72 TYR HB3 . . 4.840 4.322 3.560 4.808 . 0 0 "[ . 1 . 2]" 1
578 1 75 GLU HG2 1 76 ASN H . . 5.160 4.309 2.345 5.075 . 0 0 "[ . 1 . 2]" 1
579 1 34 HIS HB2 1 35 VAL H . . 4.850 3.461 2.248 4.550 . 0 0 "[ . 1 . 2]" 1
580 1 34 HIS HB3 1 35 VAL H . . 4.850 3.836 3.027 4.657 . 0 0 "[ . 1 . 2]" 1
581 1 70 ASP HB3 1 71 ARG H . . 3.950 2.266 2.188 2.593 . 0 0 "[ . 1 . 2]" 1
582 1 138 GLN HA 1 142 GLN H . . 5.340 4.394 4.088 4.562 . 0 0 "[ . 1 . 2]" 1
583 1 73 TYR QB 1 75 GLU H . . 4.910 4.506 4.306 4.930 0.020 17 0 "[ . 1 . 2]" 1
584 1 110 HIS HB2 1 111 THR H . . 4.750 3.175 2.729 3.968 . 0 0 "[ . 1 . 2]" 1
585 1 110 HIS HB3 1 111 THR H . . 4.750 3.170 2.437 3.969 . 0 0 "[ . 1 . 2]" 1
586 1 104 ASN H 1 104 ASN HB2 . . 3.320 2.451 2.212 2.763 . 0 0 "[ . 1 . 2]" 1
587 1 128 VAL HA 1 131 GLN H . . 4.080 3.761 3.383 4.082 0.002 14 0 "[ . 1 . 2]" 1
588 1 129 VAL HA 1 131 GLN H . . 4.660 4.738 4.406 4.842 0.182 7 0 "[ . 1 . 2]" 1
589 1 64 PHE QE 1 73 TYR QB . . 3.500 2.590 1.933 2.808 . 0 0 "[ . 1 . 2]" 1
590 1 51 TYR HB3 1 85 TYR QD . . 4.570 3.683 3.244 4.573 0.003 11 0 "[ . 1 . 2]" 1
591 1 72 TYR QD 1 73 TYR QB . . 4.510 4.269 3.774 4.530 0.020 18 0 "[ . 1 . 2]" 1
592 1 132 MET HA 1 136 GLN H . . 4.830 4.351 4.266 4.716 . 0 0 "[ . 1 . 2]" 1
593 1 98 PHE QD 1 99 VAL HA . . 4.700 3.197 3.051 3.433 . 0 0 "[ . 1 . 2]" 1
594 1 103 VAL HA 1 106 THR H . . 4.600 3.524 3.250 3.668 . 0 0 "[ . 1 . 2]" 1
595 1 105 ILE HA 1 109 GLN H . . 5.090 4.543 4.088 4.849 . 0 0 "[ . 1 . 2]" 1
596 1 37 GLY QA 1 38 ALA H . . 2.890 2.282 2.110 2.776 . 0 0 "[ . 1 . 2]" 1
597 1 145 TYR HA 1 148 GLY H . . 3.820 8.221 6.688 10.089 6.269 17 20 [************-***+***] 1
598 1 108 LYS HA 1 111 THR H . . 3.850 3.716 3.476 3.854 0.004 4 0 "[ . 1 . 2]" 1
599 1 142 GLN HA 1 146 GLN H . . 4.560 4.741 3.931 5.289 0.729 16 5 "[ . -** *+ 2]" 1
600 1 144 TYR HA 1 147 ARG H . . 3.970 7.008 6.148 8.081 4.111 3 20 [**+*************-***] 1
601 1 136 GLN HA 1 139 ARG H . . 4.110 3.332 3.112 3.441 . 0 0 "[ . 1 . 2]" 1
602 1 40 ALA HA 1 41 ALA H . . 2.900 2.214 2.141 2.575 . 0 0 "[ . 1 . 2]" 1
603 1 14 LEU HA 1 15 VAL H . . 2.900 2.326 2.140 2.876 . 0 0 "[ . 1 . 2]" 1
604 1 146 GLN HA 1 149 ALA H . . 4.570 7.394 4.195 9.458 4.888 3 18 "[**+****-**** ***** *]" 1
605 1 73 TYR HA 1 76 ASN H . . 4.310 3.634 3.315 3.905 . 0 0 "[ . 1 . 2]" 1
606 1 64 PHE HA 1 66 ASN H . . 4.190 4.034 3.842 4.257 0.067 1 0 "[ . 1 . 2]" 1
607 1 64 PHE QE 1 73 TYR HA . . 5.210 4.672 4.095 5.020 . 0 0 "[ . 1 . 2]" 1
608 1 73 TYR HA 1 73 TYR QE . . 5.480 4.601 4.438 4.784 . 0 0 "[ . 1 . 2]" 1
609 1 64 PHE HA 1 64 PHE QE . . 5.310 4.539 4.353 4.719 . 0 0 "[ . 1 . 2]" 1
610 1 72 TYR QD 1 73 TYR HA . . 3.900 3.206 2.800 3.604 . 0 0 "[ . 1 . 2]" 1
611 1 68 TYR HA 1 68 TYR QE . . 5.210 4.705 4.633 4.811 . 0 0 "[ . 1 . 2]" 1
612 1 73 TYR HA 1 80 TYR QE . . 4.380 4.145 3.697 4.422 0.042 13 0 "[ . 1 . 2]" 1
613 1 48 LEU HA 1 51 TYR QE . . 4.100 3.496 3.015 3.938 . 0 0 "[ . 1 . 2]" 1
614 1 64 PHE QE 1 69 GLU HA . . 4.710 4.635 4.301 4.773 0.063 18 0 "[ . 1 . 2]" 1
615 1 64 PHE QE 1 132 MET HA . . 5.030 9.087 8.565 9.455 4.425 20 20 [********-**********+] 1
616 1 73 TYR QE 1 132 MET HA . . 5.500 7.895 7.566 8.358 2.858 13 20 [********-***+*******] 1
617 1 105 ILE HA 1 109 GLN HE21 . . 5.500 4.251 3.280 5.499 . 0 0 "[ . 1 . 2]" 1
618 1 105 ILE HA 1 109 GLN HE22 . . 5.500 3.587 3.327 4.208 . 0 0 "[ . 1 . 2]" 1
619 1 85 TYR QD 1 105 ILE HA . . 5.500 5.365 4.876 5.527 0.027 5 0 "[ . 1 . 2]" 1
620 1 51 TYR QE 1 105 ILE HA . . 5.500 5.148 4.638 5.454 . 0 0 "[ . 1 . 2]" 1
621 1 34 HIS HA 1 35 VAL H . . 3.020 2.284 2.140 2.684 . 0 0 "[ . 1 . 2]" 1
622 1 76 ASN H 1 76 ASN HD22 . . 4.220 3.728 3.394 4.158 . 0 0 "[ . 1 . 2]" 1
623 1 69 GLU H 1 70 ASP H . . 3.660 2.719 2.629 2.787 . 0 0 "[ . 1 . 2]" 1
624 1 127 ARG H 1 128 VAL H . . 3.640 2.703 2.610 2.830 . 0 0 "[ . 1 . 2]" 1
625 1 66 ASN H 1 70 ASP H . . 4.790 4.302 3.763 4.615 . 0 0 "[ . 1 . 2]" 1
626 1 80 TYR H 1 80 TYR QE . . 4.020 3.975 3.911 4.067 0.047 13 0 "[ . 1 . 2]" 1
627 1 64 PHE HZ 1 128 VAL QG . . 3.370 3.805 3.562 3.989 0.619 17 8 "[*** .* 1 * . +- *]" 1
628 1 84 VAL QG 1 86 TYR QE . . 4.150 2.735 1.951 3.306 . 0 0 "[ . 1 . 2]" 1
629 1 64 PHE HZ 1 128 VAL HB . . 5.210 3.223 2.866 3.549 . 0 0 "[ . 1 . 2]" 1
630 1 75 GLU HB2 1 76 ASN HD22 . . 5.500 4.007 3.504 5.503 0.003 4 0 "[ . 1 . 2]" 1
631 1 75 GLU HB3 1 76 ASN HD22 . . 5.500 3.825 3.264 5.435 . 0 0 "[ . 1 . 2]" 1
632 1 64 PHE HZ 1 131 GLN QG . . 5.200 5.775 5.488 6.086 0.886 7 13 "[******+ ** - *** 2]" 1
633 1 52 MET QG 1 86 TYR QE . . 4.750 3.454 2.390 4.757 0.007 5 0 "[ . 1 . 2]" 1
634 1 85 TYR HB2 1 106 THR HG1 . . 4.300 3.774 3.437 3.879 . 0 0 "[ . 1 . 2]" 1
635 1 64 PHE HZ 1 73 TYR QB . . 4.610 2.952 2.515 3.444 . 0 0 "[ . 1 . 2]" 1
636 1 51 TYR QE 1 85 TYR HB2 . . 5.290 5.196 4.553 5.309 0.019 20 0 "[ . 1 . 2]" 1
637 1 51 TYR QE 1 85 TYR HB3 . . 5.000 4.785 4.273 5.011 0.011 5 0 "[ . 1 . 2]" 1
638 1 98 PHE QD 1 141 SER HA . . 5.280 7.924 7.580 8.473 3.193 15 20 [********-*****+*****] 1
639 1 76 ASN HB3 1 80 TYR QE . . 4.570 2.531 2.005 4.561 . 0 0 "[ . 1 . 2]" 1
640 1 72 TYR HA 1 76 ASN HD22 . . 4.630 3.767 3.222 4.385 . 0 0 "[ . 1 . 2]" 1
641 1 85 TYR QD 1 106 THR HG1 . . 4.650 3.628 2.788 4.026 . 0 0 "[ . 1 . 2]" 1
642 1 53 LEU MD1 1 54 GLY H . . 4.160 2.949 2.028 4.159 . 0 0 "[ . 1 . 2]" 1
643 1 105 ILE H 1 105 ILE MG . . 4.130 3.767 3.763 3.777 . 0 0 "[ . 1 . 2]" 1
644 1 105 ILE H 1 105 ILE MD . . 4.510 3.154 2.796 3.589 . 0 0 "[ . 1 . 2]" 1
645 1 85 TYR H 1 105 ILE MG . . 5.040 3.833 3.524 4.364 . 0 0 "[ . 1 . 2]" 1
646 1 53 LEU MD1 1 83 GLN HE21 . . 5.100 3.016 1.864 4.562 . 0 0 "[ . 1 . 2]" 1
647 1 53 LEU MD2 1 83 GLN HE21 . . 5.100 3.406 1.957 5.002 . 0 0 "[ . 1 . 2]" 1
648 1 124 ILE H 1 124 ILE MG . . 3.940 3.768 3.762 3.776 . 0 0 "[ . 1 . 2]" 1
649 1 89 VAL QG 1 98 PHE QE . . 4.050 1.969 1.882 2.169 . 0 0 "[ . 1 . 2]" 1
650 1 124 ILE MG 1 127 ARG H . . 4.890 4.171 3.935 4.490 . 0 0 "[ . 1 . 2]" 1
651 1 79 ARG H 1 79 ARG HG2 . . 4.720 4.501 2.653 4.636 . 0 0 "[ . 1 . 2]" 1
652 1 89 VAL QG 1 145 TYR H . . 3.860 4.573 4.046 5.278 1.418 15 16 "[* *** ******* +*- **]" 1
653 1 128 VAL QG 1 132 MET H . . 4.180 3.891 3.458 4.268 0.088 14 0 "[ . 1 . 2]" 1
654 1 89 VAL H 1 89 VAL QG . . 3.310 1.959 1.852 2.446 . 0 0 "[ . 1 . 2]" 1
655 1 128 VAL QG 1 129 VAL H . . 4.200 2.082 2.025 2.225 . 0 0 "[ . 1 . 2]" 1
656 1 62 ILE MD 1 135 THR H . . 5.160 7.532 6.846 7.886 2.726 7 20 [****-*+*************] 1
657 1 105 ILE MD 1 109 GLN HE21 . . 5.500 4.992 3.663 5.517 0.017 11 0 "[ . 1 . 2]" 1
658 1 105 ILE MD 1 109 GLN HE22 . . 5.500 4.606 3.397 5.503 0.003 2 0 "[ . 1 . 2]" 1
659 1 62 ILE H 1 62 ILE MG . . 4.380 2.163 1.934 2.417 . 0 0 "[ . 1 . 2]" 1
660 1 62 ILE HG12 1 64 PHE HZ . . 4.760 3.857 3.554 4.216 . 0 0 "[ . 1 . 2]" 1
661 1 48 LEU MD1 1 85 TYR QD . . 4.550 2.922 2.148 4.202 . 0 0 "[ . 1 . 2]" 1
662 1 62 ILE H 1 62 ILE HG12 . . 4.490 4.482 4.378 4.520 0.030 14 0 "[ . 1 . 2]" 1
663 1 128 VAL QG 1 131 GLN H . . 4.550 4.516 4.214 4.722 0.172 14 0 "[ . 1 . 2]" 1
664 1 103 VAL QG 1 106 THR HG1 . . 5.500 4.651 4.263 4.928 . 0 0 "[ . 1 . 2]" 1
665 1 62 ILE HG13 1 64 PHE HZ . . 5.500 5.065 4.803 5.466 . 0 0 "[ . 1 . 2]" 1
666 1 98 PHE HZ 1 99 VAL QG . . 4.080 2.703 2.678 2.759 . 0 0 "[ . 1 . 2]" 1
667 1 61 LEU HA 1 61 LEU QD . . 3.700 3.332 3.249 3.418 . 0 0 "[ . 1 . 2]" 1
668 1 30 THR HA 1 30 THR MG . . 3.460 2.569 2.041 3.206 . 0 0 "[ . 1 . 2]" 1
669 1 48 LEU HA 1 48 LEU MD1 . . 4.160 3.898 3.591 4.118 . 0 0 "[ . 1 . 2]" 1
670 1 89 VAL QG 1 145 TYR HA . . 3.300 5.826 5.421 6.679 3.379 15 20 [*************-+*****] 1
671 1 73 TYR QB 1 128 VAL QG . . 3.990 4.550 4.071 4.867 0.877 18 12 "[* * . * 1*-* ***+**]" 1
672 1 103 VAL HA 1 103 VAL QG . . 3.120 2.109 2.073 2.156 . 0 0 "[ . 1 . 2]" 1
673 1 99 VAL QG 1 137 TYR QB . . 3.360 2.983 2.673 3.097 . 0 0 "[ . 1 . 2]" 1
674 1 99 VAL QG 1 138 GLN HA . . 3.430 7.378 7.008 7.529 4.099 7 20 [******+****-********] 1
675 1 62 ILE HB 1 132 MET HA . . 3.660 5.234 4.815 5.650 1.990 20 20 [*********-*********+] 1
676 1 107 VAL HA 1 107 VAL MG2 . . 3.360 2.488 2.251 3.197 . 0 0 "[ . 1 . 2]" 1
677 1 103 VAL QG 1 134 ILE HA . . 3.690 6.165 5.817 6.469 2.779 8 20 [*******+*-**********] 1
678 1 105 ILE HA 1 105 ILE HG13 . . 3.890 3.189 2.425 3.750 . 0 0 "[ . 1 . 2]" 1
679 1 109 GLN HA 1 112 VAL QG . . 3.350 2.689 1.877 3.397 0.047 19 0 "[ . 1 . 2]" 1
680 1 56 VAL HA 1 56 VAL MG1 . . 3.340 2.377 2.123 3.202 . 0 0 "[ . 1 . 2]" 1
681 1 79 ARG HA 1 79 ARG HG3 . . 3.900 2.644 2.268 3.585 . 0 0 "[ . 1 . 2]" 1
682 1 95 GLN HA 1 99 VAL QG . . 5.140 3.355 3.310 3.397 . 0 0 "[ . 1 . 2]" 1
683 1 99 VAL QG 1 141 SER QB . . 4.400 7.018 6.610 7.688 3.288 5 20 [****+***-***********] 1
684 1 105 ILE HA 1 105 ILE MD . . 3.930 2.953 1.972 3.877 . 0 0 "[ . 1 . 2]" 1
685 1 99 VAL QG 1 102 CYS QB . . 4.390 2.792 2.651 2.963 . 0 0 "[ . 1 . 2]" 1
686 1 61 LEU QD 1 132 MET HA . . 4.370 3.425 2.769 3.884 . 0 0 "[ . 1 . 2]" 1
687 1 111 THR HA 1 111 THR MG . . 3.020 2.297 2.061 2.468 . 0 0 "[ . 1 . 2]" 1
688 1 111 THR MG 1 112 VAL H . . 4.420 4.223 4.114 4.371 . 0 0 "[ . 1 . 2]" 1
689 1 110 HIS H 1 111 THR MG . . 4.780 4.298 3.816 4.773 . 0 0 "[ . 1 . 2]" 1
690 1 107 VAL MG2 1 108 LYS H . . 4.090 3.648 2.066 3.946 . 0 0 "[ . 1 . 2]" 1
691 1 110 HIS H 1 112 VAL QG . . 4.500 4.321 3.906 4.575 0.075 19 0 "[ . 1 . 2]" 1
692 1 107 VAL MG1 1 108 LYS H . . 4.090 3.555 2.131 3.998 . 0 0 "[ . 1 . 2]" 1
693 1 104 ASN H 1 105 ILE MD . . 5.500 5.091 4.375 5.514 0.014 6 0 "[ . 1 . 2]" 1
694 1 104 ASN HD21 1 105 ILE MD . . 5.500 3.599 2.275 5.485 . 0 0 "[ . 1 . 2]" 1
695 1 98 PHE QE 1 99 VAL QG . . 4.890 2.563 2.484 2.640 . 0 0 "[ . 1 . 2]" 1
696 1 112 VAL QG 1 117 PHE H . . 3.500 7.836 6.908 9.307 5.807 2 20 [-+******************] 1
697 1 52 MET HB3 1 53 LEU H . . 4.620 4.033 2.860 4.500 . 0 0 "[ . 1 . 2]" 1
698 1 43 ALA H 1 44 VAL QG . . 4.540 3.910 3.034 4.500 . 0 0 "[ . 1 . 2]" 1
699 1 99 VAL QG 1 138 GLN H . . 3.970 5.841 5.477 6.045 2.075 14 20 [***********-*+******] 1
700 1 62 ILE HB 1 63 HIS H . . 4.220 4.039 3.957 4.175 . 0 0 "[ . 1 . 2]" 1
701 1 103 VAL QG 1 106 THR H . . 4.710 4.338 4.189 4.432 . 0 0 "[ . 1 . 2]" 1
702 1 56 VAL H 1 56 VAL MG1 . . 4.040 2.960 2.148 3.952 . 0 0 "[ . 1 . 2]" 1
703 1 107 VAL H 1 107 VAL MG2 . . 3.870 2.221 1.973 3.722 . 0 0 "[ . 1 . 2]" 1
704 1 99 VAL H 1 99 VAL QG . . 3.760 2.044 1.993 2.400 . 0 0 "[ . 1 . 2]" 1
705 1 103 VAL QG 1 137 TYR H . . 4.380 7.974 7.718 8.162 3.782 8 20 [*******+*-**********] 1
706 1 56 VAL MG1 1 57 MET H . . 4.030 3.472 2.091 4.212 0.182 8 0 "[ . 1 . 2]" 1
707 1 61 LEU H 1 61 LEU QD . . 4.220 2.068 1.909 2.216 . 0 0 "[ . 1 . 2]" 1
708 1 110 HIS HB2 1 111 THR MG . . 5.100 3.754 3.073 4.912 . 0 0 "[ . 1 . 2]" 1
709 1 110 HIS HB3 1 111 THR MG . . 5.100 3.245 2.678 3.836 . 0 0 "[ . 1 . 2]" 1
710 1 51 TYR HB2 1 105 ILE MD . . 5.090 4.789 3.964 5.112 0.022 14 0 "[ . 1 . 2]" 1
711 1 62 ILE MD 1 73 TYR QB . . 4.910 4.562 4.344 4.937 0.027 5 0 "[ . 1 . 2]" 1
712 1 89 VAL QG 1 141 SER HA . . 4.030 2.264 1.906 2.597 . 0 0 "[ . 1 . 2]" 1
713 1 102 CYS QB 1 103 VAL QG . . 4.000 3.000 2.902 3.147 . 0 0 "[ . 1 . 2]" 1
714 1 85 TYR HB2 1 105 ILE MG . . 3.930 2.101 1.930 2.717 . 0 0 "[ . 1 . 2]" 1
715 1 85 TYR HB3 1 105 ILE MG . . 3.970 2.766 2.333 3.343 . 0 0 "[ . 1 . 2]" 1
716 1 62 ILE MD 1 131 GLN HB2 . . 3.920 2.606 1.974 3.157 . 0 0 "[ . 1 . 2]" 1
717 1 124 ILE MG 1 127 ARG HB2 . . 4.750 3.165 2.793 3.812 . 0 0 "[ . 1 . 2]" 1
718 1 89 VAL QG 1 144 TYR QB . . 3.800 2.138 1.913 2.712 . 0 0 "[ . 1 . 2]" 1
719 1 84 VAL QG 1 136 GLN HG2 . . 6.390 3.589 2.820 4.247 . 0 0 "[ . 1 . 2]" 1
720 1 61 LEU QB 1 62 ILE MG . . 4.780 3.876 3.650 4.057 . 0 0 "[ . 1 . 2]" 1
721 1 62 ILE MD 1 131 GLN QG . . 4.220 2.136 1.913 2.399 . 0 0 "[ . 1 . 2]" 1
722 1 105 ILE HB 1 105 ILE MD . . 3.750 2.693 2.069 3.230 . 0 0 "[ . 1 . 2]" 1
723 1 61 LEU QD 1 62 ILE MD . . 4.610 4.223 4.068 4.438 . 0 0 "[ . 1 . 2]" 1
724 1 62 ILE HB 1 62 ILE MD . . 3.580 2.324 2.169 2.406 . 0 0 "[ . 1 . 2]" 1
725 1 61 LEU QD 1 62 ILE MG . . 3.970 2.666 2.528 2.903 . 0 0 "[ . 1 . 2]" 1
726 1 48 LEU MD1 1 105 ILE MG . . 5.020 4.112 2.722 4.885 . 0 0 "[ . 1 . 2]" 1
727 1 48 LEU MD2 1 105 ILE MG . . 5.020 4.121 2.260 5.020 0.000 9 0 "[ . 1 . 2]" 1
728 1 62 ILE HG12 1 62 ILE MG . . 3.630 2.242 2.178 2.323 . 0 0 "[ . 1 . 2]" 1
729 1 105 ILE MD 1 105 ILE MG . . 3.390 2.196 1.909 2.738 . 0 0 "[ . 1 . 2]" 1
730 1 48 LEU MD2 1 51 TYR HB2 . . 5.220 4.294 3.113 5.086 . 0 0 "[ . 1 . 2]" 1
731 1 89 VAL QG 1 145 TYR QB . . 3.820 5.719 5.074 6.458 2.638 8 20 [*******+-***********] 1
732 1 99 VAL QG 1 100 HIS HB2 . . 5.080 4.611 4.489 4.973 . 0 0 "[ . 1 . 2]" 1
733 1 99 VAL QG 1 100 HIS HB3 . . 5.080 5.004 4.348 5.145 0.065 2 0 "[ . 1 . 2]" 1
734 1 99 VAL HA 1 103 VAL QG . . 4.220 4.045 3.881 4.209 . 0 0 "[ . 1 . 2]" 1
735 1 103 VAL QG 1 133 CYS H . . 5.500 4.167 3.946 4.287 . 0 0 "[ . 1 . 2]" 1
736 1 122 ILE H 1 122 ILE MG . . 3.430 3.764 3.762 3.765 0.335 19 0 "[ . 1 . 2]" 1
737 1 104 ASN HB2 1 105 ILE H . . 4.400 3.696 3.417 4.054 . 0 0 "[ . 1 . 2]" 1
738 1 96 ASN HB2 1 97 ASN H . . 3.930 3.572 2.964 4.008 0.078 3 0 "[ . 1 . 2]" 1
739 1 57 MET H 1 57 MET HG2 . . 5.000 4.049 2.372 5.001 0.001 2 0 "[ . 1 . 2]" 1
740 1 51 TYR HB3 1 52 MET H . . 4.490 3.171 2.433 3.900 . 0 0 "[ . 1 . 2]" 1
741 1 60 PRO HB3 1 61 LEU H . . 4.080 3.824 3.429 4.030 . 0 0 "[ . 1 . 2]" 1
742 1 95 GLN H 1 95 GLN HG3 . . 3.930 2.811 2.463 3.078 . 0 0 "[ . 1 . 2]" 1
743 1 52 MET QG 1 86 TYR H . . 5.350 5.115 4.304 5.356 0.006 9 0 "[ . 1 . 2]" 1
744 1 52 MET QG 1 53 LEU H . . 4.140 3.019 2.012 4.114 . 0 0 "[ . 1 . 2]" 1
745 1 142 GLN HB2 1 143 ALA H . . 4.390 2.648 2.378 2.925 . 0 0 "[ . 1 . 2]" 1
746 1 39 ALA H 1 39 ALA MB . . 3.430 2.613 2.210 2.884 . 0 0 "[ . 1 . 2]" 1
747 1 41 ALA MB 1 42 GLY H . . 3.580 2.804 2.044 3.583 0.003 11 0 "[ . 1 . 2]" 1
748 1 40 ALA H 1 40 ALA MB . . 3.420 2.564 2.054 2.826 . 0 0 "[ . 1 . 2]" 1
749 1 41 ALA H 1 41 ALA MB . . 3.440 2.576 2.057 2.887 . 0 0 "[ . 1 . 2]" 1
750 1 71 ARG QB 1 72 TYR H . . 3.380 2.614 2.443 3.418 0.038 15 0 "[ . 1 . 2]" 1
751 1 105 ILE HB 1 106 THR H . . 3.730 2.590 2.448 2.761 . 0 0 "[ . 1 . 2]" 1
752 1 48 LEU HG 1 49 GLY H . . 4.620 2.859 1.932 4.273 . 0 0 "[ . 1 . 2]" 1
753 1 108 LYS HB3 1 109 GLN H . . 4.230 3.521 3.357 3.718 . 0 0 "[ . 1 . 2]" 1
754 1 117 PHE HB3 1 118 THR H . . 4.680 2.381 2.017 2.981 . 0 0 "[ . 1 . 2]" 1
755 1 119 GLU H 1 119 GLU HG3 . . 4.500 3.636 2.263 4.437 . 0 0 "[ . 1 . 2]" 1
756 1 75 GLU HG3 1 76 ASN H . . 5.160 4.511 2.752 5.077 . 0 0 "[ . 1 . 2]" 1
757 1 147 ARG H 1 147 ARG QB . . 2.820 2.507 2.147 3.248 0.428 16 0 "[ . 1 . 2]" 1
758 1 61 LEU QB 1 136 GLN H . . 5.070 5.917 5.492 6.594 1.524 20 18 "[** *-** ***********+]" 1
759 1 98 PHE QE 1 144 TYR QB . . 4.890 6.970 6.737 7.689 2.799 15 20 [**************+****-] 1
760 1 142 GLN HB2 1 142 GLN HE22 . . 5.060 4.533 4.103 5.352 0.292 5 0 "[ . 1 . 2]" 1
761 1 85 TYR HB2 1 86 TYR QD . . 5.500 5.338 4.834 5.511 0.011 8 0 "[ . 1 . 2]" 1
762 1 85 TYR HB2 1 106 THR H . . 4.750 4.421 4.003 4.753 0.003 11 0 "[ . 1 . 2]" 1
763 1 95 GLN HE21 1 95 GLN HG3 . . 3.490 2.371 2.227 2.508 . 0 0 "[ . 1 . 2]" 1
764 1 85 TYR HB3 1 106 THR HG1 . . 5.500 5.454 5.168 5.511 0.011 6 0 "[ . 1 . 2]" 1
765 1 48 LEU HG 1 51 TYR QE . . 5.500 4.973 4.298 5.501 0.001 14 0 "[ . 1 . 2]" 1
766 1 51 TYR QE 1 105 ILE HB . . 5.500 5.177 4.813 5.413 . 0 0 "[ . 1 . 2]" 1
767 1 95 GLN HB3 1 95 GLN HE21 . . 4.800 4.510 4.429 4.599 . 0 0 "[ . 1 . 2]" 1
768 1 51 TYR HB2 1 85 TYR QE . . 5.350 4.501 4.061 5.272 . 0 0 "[ . 1 . 2]" 1
769 1 51 TYR HB2 1 85 TYR QD . . 4.080 2.460 1.999 3.605 . 0 0 "[ . 1 . 2]" 1
770 1 83 GLN H 1 83 GLN HG2 . . 4.960 3.768 2.247 4.754 . 0 0 "[ . 1 . 2]" 1
771 1 95 GLN HE21 1 99 VAL HB . . 5.370 5.138 4.651 5.376 0.006 14 0 "[ . 1 . 2]" 1
772 1 85 TYR QD 1 109 GLN HB2 . . 4.960 3.906 3.126 4.617 . 0 0 "[ . 1 . 2]" 1
773 1 66 ASN H 1 70 ASP HB2 . . 4.200 3.797 2.884 4.205 0.005 18 0 "[ . 1 . 2]" 1
774 1 64 PHE QD 1 70 ASP HB2 . . 4.740 4.213 3.225 4.738 . 0 0 "[ . 1 . 2]" 1
775 1 98 PHE HZ 1 144 TYR QB . . 5.000 8.032 7.705 8.612 3.612 8 20 [*******+**********-*] 1
776 1 98 PHE QE 1 141 SER HA . . 4.320 6.720 6.442 7.128 2.808 15 20 [********-*****+*****] 1
777 1 69 GLU H 1 70 ASP HB2 . . 5.500 5.035 4.791 5.193 . 0 0 "[ . 1 . 2]" 1
778 1 141 SER HA 1 144 TYR H . . 4.540 3.380 3.213 3.626 . 0 0 "[ . 1 . 2]" 1
779 1 98 PHE QE 1 141 SER QB . . 4.730 5.791 5.328 6.648 1.918 5 20 [****+**********-****] 1
780 1 121 ASP HA 1 122 ILE MG . . 4.290 6.121 6.110 6.135 1.845 7 20 [******+**-**********] 1
781 1 52 MET HA 1 52 MET QG . . 3.680 2.625 2.090 3.017 . 0 0 "[ . 1 . 2]" 1
782 1 67 ASP QB 1 68 TYR HA . . 4.150 3.889 3.710 4.149 . 0 0 "[ . 1 . 2]" 1
783 1 67 ASP HA 1 70 ASP HB2 . . 4.020 3.923 3.404 4.030 0.010 14 0 "[ . 1 . 2]" 1
784 1 146 GLN HA 1 146 GLN QG . . 3.380 2.498 2.113 3.333 . 0 0 "[ . 1 . 2]" 1
785 1 104 ASN HA 1 107 VAL HB . . 5.020 3.298 2.822 4.973 . 0 0 "[ . 1 . 2]" 1
786 1 48 LEU HA 1 48 LEU HG . . 3.840 3.492 2.854 3.697 . 0 0 "[ . 1 . 2]" 1
787 1 59 ARG HA 1 59 ARG HG3 . . 3.720 3.183 2.130 3.777 0.057 15 0 "[ . 1 . 2]" 1
788 1 59 ARG HA 1 59 ARG HG2 . . 3.720 2.940 2.181 3.721 0.001 13 0 "[ . 1 . 2]" 1
789 1 103 VAL HB 1 104 ASN HA . . 4.360 4.113 4.059 4.159 . 0 0 "[ . 1 . 2]" 1
790 1 122 ILE HA 1 122 ILE MG . . 3.250 2.328 2.301 2.387 . 0 0 "[ . 1 . 2]" 1
791 1 67 ASP HA 1 70 ASP HB3 . . 3.350 3.015 2.688 3.349 . 0 0 "[ . 1 . 2]" 1
792 1 102 CYS QB 1 103 VAL HA . . 4.470 4.278 4.223 4.314 . 0 0 "[ . 1 . 2]" 1
793 1 139 ARG HA 1 142 GLN HB2 . . 4.250 2.546 2.085 3.265 . 0 0 "[ . 1 . 2]" 1
794 1 143 ALA HA 1 146 GLN QB . . 3.450 4.196 1.972 5.750 2.300 2 12 "[ + *.* -1***** ** *]" 1
795 1 128 VAL HA 1 131 GLN QG . . 4.470 3.561 3.058 3.989 . 0 0 "[ . 1 . 2]" 1
796 1 141 SER HA 1 144 TYR QB . . 3.020 2.178 1.975 2.498 . 0 0 "[ . 1 . 2]" 1
797 1 99 VAL QG 1 141 SER HA . . 4.750 8.387 8.047 8.664 3.914 15 20 [********-*****+*****] 1
798 1 103 VAL QG 1 137 TYR QB . . 4.680 7.445 7.183 7.673 2.993 6 20 [*****+***-**********] 1
799 1 105 ILE MG 1 108 LYS HG3 . . 5.250 4.138 3.755 4.941 . 0 0 "[ . 1 . 2]" 1
800 1 51 TYR HB3 1 105 ILE MD . . 4.790 4.340 3.341 4.814 0.024 5 0 "[ . 1 . 2]" 1
801 1 104 ASN HB2 1 105 ILE MD . . 5.500 5.264 4.717 5.514 0.014 11 0 "[ . 1 . 2]" 1
802 1 104 ASN HB3 1 105 ILE MD . . 5.500 3.819 3.179 4.092 . 0 0 "[ . 1 . 2]" 1
803 1 51 TYR HB2 1 105 ILE MG . . 4.570 4.028 3.412 4.484 . 0 0 "[ . 1 . 2]" 1
804 1 51 TYR HB3 1 105 ILE MG . . 4.770 4.125 3.481 4.775 0.005 11 0 "[ . 1 . 2]" 1
805 1 48 LEU MD1 1 51 TYR HB2 . . 5.220 2.921 2.166 3.967 . 0 0 "[ . 1 . 2]" 1
806 1 105 ILE MG 1 109 GLN HB2 . . 4.490 4.073 3.459 4.503 0.013 8 0 "[ . 1 . 2]" 1
807 1 62 ILE MD 1 131 GLN HB3 . . 3.920 3.579 2.980 4.047 0.127 1 0 "[ . 1 . 2]" 1
808 1 61 LEU HG 1 62 ILE MD . . 5.240 4.903 4.610 5.220 . 0 0 "[ . 1 . 2]" 1
809 1 62 ILE HA 1 62 ILE MG . . 3.480 3.198 3.194 3.203 . 0 0 "[ . 1 . 2]" 1
810 1 62 ILE MG 1 132 MET HA . . 4.790 5.711 5.350 6.205 1.415 20 20 [********-**********+] 1
811 1 62 ILE MG 1 73 TYR QB . . 4.710 3.966 3.734 4.178 . 0 0 "[ . 1 . 2]" 1
812 1 105 ILE MG 1 106 THR HA . . 4.110 3.431 3.317 3.581 . 0 0 "[ . 1 . 2]" 1
813 1 105 ILE HA 1 105 ILE MG . . 3.510 2.373 2.324 2.410 . 0 0 "[ . 1 . 2]" 1
814 1 62 ILE HA 1 62 ILE MD . . 3.840 3.606 3.422 3.760 . 0 0 "[ . 1 . 2]" 1
815 1 62 ILE MD 1 135 THR HA . . 5.210 8.979 8.208 9.322 4.112 7 20 [****-*+*************] 1
816 1 48 LEU HA 1 48 LEU MD2 . . 4.160 3.417 2.347 4.068 . 0 0 "[ . 1 . 2]" 1
817 1 112 VAL HA 1 112 VAL QG . . 2.840 2.178 1.973 2.330 . 0 0 "[ . 1 . 2]" 1
818 1 35 VAL HA 1 35 VAL QG . . 3.120 2.161 2.044 2.300 . 0 0 "[ . 1 . 2]" 1
819 1 45 VAL HA 1 45 VAL QG . . 3.330 2.138 2.036 2.286 . 0 0 "[ . 1 . 2]" 1
820 1 124 ILE HA 1 124 ILE MG . . 2.950 2.359 2.323 2.403 . 0 0 "[ . 1 . 2]" 1
821 1 56 VAL HA 1 56 VAL MG2 . . 3.340 2.873 2.218 3.202 . 0 0 "[ . 1 . 2]" 1
822 1 62 ILE HA 1 62 ILE HG12 . . 3.800 3.370 3.195 3.524 . 0 0 "[ . 1 . 2]" 1
823 1 79 ARG HA 1 79 ARG HG2 . . 3.900 3.507 2.567 3.806 . 0 0 "[ . 1 . 2]" 1
824 1 105 ILE HA 1 105 ILE HG12 . . 3.890 2.929 2.811 3.112 . 0 0 "[ . 1 . 2]" 1
825 1 128 VAL HA 1 128 VAL QG . . 3.320 2.322 2.265 2.340 . 0 0 "[ . 1 . 2]" 1
826 1 108 LYS HA 1 111 THR MG . . 4.970 4.430 4.009 4.971 0.001 8 0 "[ . 1 . 2]" 1
827 1 107 VAL HA 1 107 VAL MG1 . . 3.360 2.394 2.295 3.193 . 0 0 "[ . 1 . 2]" 1
828 1 62 ILE HA 1 62 ILE HG13 . . 3.720 2.407 2.383 2.484 . 0 0 "[ . 1 . 2]" 1
829 1 144 TYR HA 1 147 ARG QB . . 3.480 7.431 6.092 8.233 4.753 12 20 [***********+*-******] 1
830 1 36 ALA MB 1 37 GLY QA . . 4.420 3.694 3.315 4.162 . 0 0 "[ . 1 . 2]" 1
831 1 105 ILE HA 1 108 LYS HG2 . . 4.660 3.368 2.918 3.768 . 0 0 "[ . 1 . 2]" 1
832 1 124 ILE HB 1 127 ARG QG . . 4.690 5.140 4.743 5.536 0.846 4 8 "[ *+.* -* **. * 2]" 1
833 1 112 VAL QG 1 117 PHE HA . . 4.450 9.193 8.252 10.594 6.144 2 20 [*+****-*************] 1
834 1 108 LYS HA 1 108 LYS HG2 . . 3.340 2.832 2.649 3.173 . 0 0 "[ . 1 . 2]" 1
835 1 69 GLU HA 1 69 GLU HG3 . . 3.910 3.506 2.997 3.826 . 0 0 "[ . 1 . 2]" 1
836 1 106 THR HA 1 109 GLN HB2 . . 3.710 3.086 2.808 3.314 . 0 0 "[ . 1 . 2]" 1
837 1 127 ARG HA 1 130 GLU QB . . 3.590 3.314 2.719 4.500 0.910 4 4 "[ +* * - . 2]" 1
838 1 124 ILE HA 1 127 ARG HB2 . . 4.070 2.863 2.445 3.461 . 0 0 "[ . 1 . 2]" 1
839 1 127 ARG HB2 1 128 VAL HA . . 4.410 4.210 3.958 4.418 0.008 5 0 "[ . 1 . 2]" 1
840 1 105 ILE HA 1 108 LYS HB2 . . 3.660 3.146 2.884 3.535 . 0 0 "[ . 1 . 2]" 1
841 1 142 GLN HA 1 142 GLN HG2 . . 3.800 2.498 2.165 3.636 . 0 0 "[ . 1 . 2]" 1
842 1 69 GLU HA 1 69 GLU HG2 . . 3.910 2.631 2.188 3.299 . 0 0 "[ . 1 . 2]" 1
843 1 69 GLU HA 1 72 TYR HB2 . . 3.980 3.624 2.987 3.981 0.001 13 0 "[ . 1 . 2]" 1
844 1 99 VAL HA 1 137 TYR QB . . 4.170 5.924 5.555 6.095 1.925 3 20 [**+********-********] 1
845 1 69 GLU HA 1 72 TYR HB3 . . 3.980 3.124 2.576 3.433 . 0 0 "[ . 1 . 2]" 1
846 1 142 GLN HA 1 142 GLN HG3 . . 3.800 2.810 2.509 3.632 . 0 0 "[ . 1 . 2]" 1
847 1 137 TYR QB 1 138 GLN HA . . 4.460 4.220 4.175 4.271 . 0 0 "[ . 1 . 2]" 1
848 1 138 GLN HA 1 141 SER QB . . 4.120 3.396 2.922 4.270 0.150 16 0 "[ . 1 . 2]" 1
849 1 84 VAL HB 1 133 CYS HA . . 5.500 5.770 4.544 6.314 0.814 14 4 "[ * . - 1 *+. 2]" 1
850 1 138 GLN HA 1 141 SER HA . . 5.340 5.948 5.489 6.333 0.993 16 15 "[*** * **** ***+*- *]" 1
851 1 102 CYS QB 1 137 TYR QB . . 4.320 6.608 6.301 6.806 2.486 5 20 [****+******-********] 1
852 1 103 VAL HA 1 106 THR HG1 . . 4.750 3.708 3.362 4.104 . 0 0 "[ . 1 . 2]" 1
853 1 64 PHE HZ 1 128 VAL HA . . 4.350 4.528 4.079 5.191 0.841 4 4 "[ +. 1 .* -*]" 1
854 1 85 TYR QD 1 106 THR HA . . 3.250 3.081 2.350 3.252 0.002 2 0 "[ . 1 . 2]" 1
855 1 85 TYR QE 1 106 THR HA . . 4.490 4.113 3.237 4.495 0.005 10 0 "[ . 1 . 2]" 1
856 1 132 MET HA 1 135 THR H . . 4.380 3.738 3.344 3.862 . 0 0 "[ . 1 . 2]" 1
857 1 73 TYR QE 1 77 MET HA . . 4.750 4.471 3.894 4.764 0.014 17 0 "[ . 1 . 2]" 1
858 1 98 PHE HZ 1 99 VAL HA . . 5.110 5.056 4.906 5.125 0.015 15 0 "[ . 1 . 2]" 1
859 1 73 TYR QD 1 74 ARG HA . . 4.660 3.878 3.347 4.222 . 0 0 "[ . 1 . 2]" 1
860 1 73 TYR QD 1 77 MET HA . . 5.130 4.684 4.178 4.970 . 0 0 "[ . 1 . 2]" 1
861 1 73 TYR QE 1 74 ARG HA . . 5.000 4.646 4.164 5.002 0.002 1 0 "[ . 1 . 2]" 1
862 1 100 HIS HB3 1 101 ASP H . . 4.550 2.509 2.242 3.622 . 0 0 "[ . 1 . 2]" 1
863 1 100 HIS HB2 1 101 ASP H . . 4.550 3.762 2.716 4.117 . 0 0 "[ . 1 . 2]" 1
864 1 64 PHE QD 1 73 TYR QB . . 4.600 3.491 3.066 3.773 . 0 0 "[ . 1 . 2]" 1
865 1 75 GLU HA 1 77 MET H . . 4.850 3.767 3.649 3.884 . 0 0 "[ . 1 . 2]" 1
866 1 108 LYS HA 1 112 VAL H . . 4.720 4.648 4.341 4.767 0.047 19 0 "[ . 1 . 2]" 1
867 1 71 ARG HA 1 74 ARG H . . 4.040 3.729 3.350 4.032 . 0 0 "[ . 1 . 2]" 1
868 1 74 ARG HA 1 77 MET H . . 4.490 3.487 3.211 3.922 . 0 0 "[ . 1 . 2]" 1
869 1 101 ASP H 1 102 CYS QB . . 5.040 4.144 4.067 4.260 . 0 0 "[ . 1 . 2]" 1
870 1 81 PRO HA 1 82 ASN H . . 3.290 2.488 2.263 2.639 . 0 0 "[ . 1 . 2]" 1
871 1 60 PRO HA 1 61 LEU H . . 2.820 2.222 2.152 2.420 . 0 0 "[ . 1 . 2]" 1
872 1 137 TYR HA 1 140 GLU H . . 4.270 3.465 3.254 3.693 . 0 0 "[ . 1 . 2]" 1
873 1 71 ARG HA 1 73 TYR H . . 4.780 4.569 4.117 4.783 0.003 20 0 "[ . 1 . 2]" 1
874 1 133 CYS HA 1 137 TYR H . . 5.080 5.164 4.968 5.390 0.310 12 0 "[ . 1 . 2]" 1
875 1 69 GLU HA 1 73 TYR H . . 4.690 4.163 3.856 4.485 . 0 0 "[ . 1 . 2]" 1
876 1 127 ARG HA 1 130 GLU H . . 4.270 3.672 3.333 3.986 . 0 0 "[ . 1 . 2]" 1
877 1 137 TYR QB 1 138 GLN H . . 4.210 2.607 2.506 2.790 . 0 0 "[ . 1 . 2]" 1
878 1 140 GLU HA 1 144 TYR H . . 4.340 4.020 3.764 4.420 0.080 8 0 "[ . 1 . 2]" 1
879 1 112 VAL HA 1 117 PHE H . . 3.520 9.771 8.766 10.951 7.431 2 20 [*+****************-*] 1
880 1 131 GLN HA 1 134 ILE H . . 4.230 3.548 3.375 3.838 . 0 0 "[ . 1 . 2]" 1
881 1 124 ILE HA 1 127 ARG H . . 3.970 3.325 3.159 3.595 . 0 0 "[ . 1 . 2]" 1
882 1 105 ILE HA 1 108 LYS H . . 4.030 3.587 3.412 3.698 . 0 0 "[ . 1 . 2]" 1
883 1 124 ILE HB 1 127 ARG H . . 5.340 5.333 5.252 5.468 0.128 20 0 "[ . 1 . 2]" 1
884 1 133 CYS HA 1 136 GLN H . . 4.120 3.833 3.741 3.915 . 0 0 "[ . 1 . 2]" 1
885 1 70 ASP H 1 73 TYR QB . . 5.500 4.922 4.706 5.313 . 0 0 "[ . 1 . 2]" 1
886 1 69 GLU HA 1 72 TYR H . . 4.240 3.917 3.546 4.105 . 0 0 "[ . 1 . 2]" 1
887 1 100 HIS H 1 100 HIS HB3 . . 3.630 2.530 2.157 3.543 . 0 0 "[ . 1 . 2]" 1
888 1 100 HIS H 1 100 HIS HB2 . . 3.630 2.597 2.271 3.473 . 0 0 "[ . 1 . 2]" 1
889 1 142 GLN HA 1 144 TYR H . . 5.140 4.442 4.146 4.832 . 0 0 "[ . 1 . 2]" 1
890 1 140 GLU HA 1 143 ALA H . . 4.470 3.756 3.588 3.971 . 0 0 "[ . 1 . 2]" 1
891 1 126 GLU HA 1 128 VAL H . . 4.890 4.893 4.621 5.034 0.144 8 0 "[ . 1 . 2]" 1
892 1 144 TYR HA 1 148 GLY H . . 5.180 8.572 5.834 11.196 6.016 18 20 [******-**********+**] 1
893 1 62 ILE HA 1 63 HIS H . . 2.920 2.197 2.147 2.227 . 0 0 "[ . 1 . 2]" 1
894 1 58 SER H 1 58 SER HB3 . . 3.900 2.912 2.293 4.033 0.133 6 0 "[ . 1 . 2]" 1
895 1 71 ARG HA 1 75 GLU H . . 4.430 4.042 3.686 4.295 . 0 0 "[ . 1 . 2]" 1
896 1 105 ILE HA 1 107 VAL H . . 4.990 4.569 4.400 4.728 . 0 0 "[ . 1 . 2]" 1
897 1 127 ARG HA 1 127 ARG HB3 . . 2.920 2.464 2.356 2.533 . 0 0 "[ . 1 . 2]" 1
898 1 51 TYR QD 1 86 TYR H . . 5.450 5.046 4.472 5.448 . 0 0 "[ . 1 . 2]" 1
899 1 61 LEU HG 1 73 TYR QE . . 5.500 4.062 3.544 4.461 . 0 0 "[ . 1 . 2]" 1
900 1 66 ASN HB2 1 68 TYR H . . 5.500 3.804 3.271 5.276 . 0 0 "[ . 1 . 2]" 1
901 1 66 ASN HB3 1 68 TYR H . . 5.500 3.563 3.145 4.899 . 0 0 "[ . 1 . 2]" 1
902 1 64 PHE QD 1 65 GLY H . . 4.870 4.062 3.777 4.395 . 0 0 "[ . 1 . 2]" 1
903 1 64 PHE QE 1 73 TYR H . . 4.940 4.800 3.307 4.962 0.022 19 0 "[ . 1 . 2]" 1
904 1 85 TYR HA 1 105 ILE MG . . 5.030 4.524 4.238 5.040 0.010 11 0 "[ . 1 . 2]" 1
905 1 85 TYR H 1 85 TYR HB3 . . 4.060 3.678 3.626 3.758 . 0 0 "[ . 1 . 2]" 1
906 1 107 VAL H 1 108 LYS HG2 . . 4.320 4.295 4.210 4.341 0.021 11 0 "[ . 1 . 2]" 1
907 1 62 ILE HG13 1 63 HIS H . . 4.170 2.328 2.057 2.649 . 0 0 "[ . 1 . 2]" 1
908 1 138 GLN H 1 139 ARG H . . 3.620 2.748 2.542 2.865 . 0 0 "[ . 1 . 2]" 1
909 1 143 ALA H 1 144 TYR H . . 3.960 2.491 2.346 2.645 . 0 0 "[ . 1 . 2]" 1
910 1 13 GLY QA 1 14 LEU H . . 3.100 2.227 2.108 2.584 . 0 0 "[ . 1 . 2]" 1
911 1 14 LEU H 1 14 LEU QB . . 3.180 2.649 2.107 3.182 0.002 10 0 "[ . 1 . 2]" 1
912 1 16 PRO QB 1 17 ARG H . . 3.750 3.186 2.361 3.685 . 0 0 "[ . 1 . 2]" 1
913 1 17 ARG H 1 17 ARG QB . . 3.320 2.659 2.176 3.233 . 0 0 "[ . 1 . 2]" 1
914 1 21 MET QB 1 22 SER H . . 4.240 3.209 1.934 4.031 . 0 0 "[ . 1 . 2]" 1
915 1 22 SER H 1 22 SER QB . . 3.660 2.793 2.215 3.273 . 0 0 "[ . 1 . 2]" 1
916 1 24 LYS H 1 24 LYS QB . . 3.370 2.773 2.217 3.364 . 0 0 "[ . 1 . 2]" 1
917 1 27 LYS H 1 27 LYS QB . . 3.240 2.774 2.171 3.238 . 0 0 "[ . 1 . 2]" 1
918 1 29 LYS H 1 29 LYS QB . . 3.110 2.507 2.201 2.900 . 0 0 "[ . 1 . 2]" 1
919 1 29 LYS QB 1 30 THR H . . 3.930 3.278 2.127 3.916 . 0 0 "[ . 1 . 2]" 1
920 1 32 MET H 1 32 MET QB . . 3.450 2.766 2.280 3.313 . 0 0 "[ . 1 . 2]" 1
921 1 33 LYS QB 1 34 HIS H . . 4.000 3.362 2.511 3.988 . 0 0 "[ . 1 . 2]" 1
922 1 34 HIS QB 1 35 VAL H . . 4.200 3.045 2.230 4.030 . 0 0 "[ . 1 . 2]" 1
923 1 41 ALA MB 1 42 GLY QA . . 4.350 3.676 3.385 4.058 . 0 0 "[ . 1 . 2]" 1
924 1 42 GLY QA 1 43 ALA H . . 2.820 2.168 2.110 2.282 . 0 0 "[ . 1 . 2]" 1
925 1 45 VAL H 1 45 VAL QG . . 3.110 2.417 1.887 2.895 . 0 0 "[ . 1 . 2]" 1
926 1 45 VAL QG 1 46 GLY H . . 3.510 2.258 1.954 3.321 . 0 0 "[ . 1 . 2]" 1
927 1 45 VAL QG 1 46 GLY QA . . 3.740 3.228 2.918 3.573 . 0 0 "[ . 1 . 2]" 1
928 1 47 GLY QA 1 48 LEU H . . 2.990 2.334 2.109 2.871 . 0 0 "[ . 1 . 2]" 1
929 1 48 LEU H 1 48 LEU QB . . 3.150 2.863 2.441 3.152 0.002 13 0 "[ . 1 . 2]" 1
930 1 48 LEU H 1 48 LEU QD . . 4.000 2.560 1.937 2.997 . 0 0 "[ . 1 . 2]" 1
931 1 48 LEU HA 1 48 LEU QD . . 3.620 3.110 2.331 3.385 . 0 0 "[ . 1 . 2]" 1
932 1 48 LEU QB 1 48 LEU QD . . 2.690 1.822 1.775 1.912 . 0 0 "[ . 1 . 2]" 1
933 1 48 LEU QB 1 49 GLY H . . 3.730 3.065 1.932 3.582 . 0 0 "[ . 1 . 2]" 1
934 1 48 LEU QB 1 50 GLY H . . 5.340 3.600 2.387 4.630 . 0 0 "[ . 1 . 2]" 1
935 1 48 LEU QB 1 51 TYR QD . . 4.240 2.310 1.960 2.621 . 0 0 "[ . 1 . 2]" 1
936 1 48 LEU QB 1 51 TYR QE . . 4.450 2.352 2.140 2.683 . 0 0 "[ . 1 . 2]" 1
937 1 48 LEU QB 1 85 TYR QD . . 4.140 4.078 3.695 4.146 0.006 20 0 "[ . 1 . 2]" 1
938 1 48 LEU QB 1 85 TYR QE . . 4.560 3.978 3.210 4.372 . 0 0 "[ . 1 . 2]" 1
939 1 48 LEU QB 1 105 ILE MG . . 4.680 3.744 3.198 4.111 . 0 0 "[ . 1 . 2]" 1
940 1 48 LEU QB 1 105 ILE MD . . 5.340 4.631 3.986 5.338 . 0 0 "[ . 1 . 2]" 1
941 1 48 LEU QB 1 109 GLN QE . . 5.180 4.297 3.287 5.175 . 0 0 "[ . 1 . 2]" 1
942 1 48 LEU QD 1 49 GLY H . . 4.020 2.904 2.089 3.955 . 0 0 "[ . 1 . 2]" 1
943 1 48 LEU QD 1 51 TYR HB2 . . 4.570 2.806 2.162 3.817 . 0 0 "[ . 1 . 2]" 1
944 1 48 LEU QD 1 51 TYR QD . . 4.290 2.321 1.894 2.815 . 0 0 "[ . 1 . 2]" 1
945 1 48 LEU QD 1 51 TYR QE . . 4.330 3.162 1.893 3.696 . 0 0 "[ . 1 . 2]" 1
946 1 48 LEU QD 1 85 TYR QD . . 3.680 2.501 2.133 2.943 . 0 0 "[ . 1 . 2]" 1
947 1 48 LEU QD 1 85 TYR QE . . 3.470 2.122 1.873 2.624 . 0 0 "[ . 1 . 2]" 1
948 1 48 LEU QD 1 105 ILE MG . . 4.230 3.543 2.156 4.140 . 0 0 "[ . 1 . 2]" 1
949 1 50 GLY H 1 50 GLY QA . . 2.580 2.464 2.358 2.501 . 0 0 "[ . 1 . 2]" 1
950 1 50 GLY QA 1 51 TYR QD . . 5.280 4.285 4.053 4.580 . 0 0 "[ . 1 . 2]" 1
951 1 50 GLY QA 1 51 TYR QE . . 5.340 4.911 4.597 5.258 . 0 0 "[ . 1 . 2]" 1
952 1 51 TYR QD 1 105 ILE QG . . 4.980 3.986 3.376 4.641 . 0 0 "[ . 1 . 2]" 1
953 1 51 TYR QE 1 105 ILE QG . . 3.800 3.438 2.946 3.810 0.010 14 0 "[ . 1 . 2]" 1
954 1 52 MET H 1 52 MET QB . . 3.550 2.223 2.107 2.324 . 0 0 "[ . 1 . 2]" 1
955 1 52 MET QB 1 53 LEU H . . 4.050 3.683 2.783 4.049 . 0 0 "[ . 1 . 2]" 1
956 1 52 MET QB 1 86 TYR H . . 4.610 3.907 2.682 4.612 0.002 3 0 "[ . 1 . 2]" 1
957 1 52 MET QB 1 86 TYR QD . . 4.880 3.668 3.040 4.465 . 0 0 "[ . 1 . 2]" 1
958 1 52 MET QB 1 86 TYR QE . . 4.660 3.745 2.935 4.662 0.002 15 0 "[ . 1 . 2]" 1
959 1 53 LEU H 1 53 LEU QD . . 4.250 3.219 1.909 3.874 . 0 0 "[ . 1 . 2]" 1
960 1 53 LEU HA 1 53 LEU QD . . 3.440 2.490 1.910 3.319 . 0 0 "[ . 1 . 2]" 1
961 1 53 LEU QB 1 53 LEU QD . . 2.850 1.930 1.777 2.015 . 0 0 "[ . 1 . 2]" 1
962 1 53 LEU QB 1 83 GLN QE . . 4.760 4.085 2.871 4.763 0.003 18 0 "[ . 1 . 2]" 1
963 1 53 LEU QB 1 85 TYR QD . . 4.270 3.848 2.831 4.314 0.044 11 0 "[ . 1 . 2]" 1
964 1 53 LEU QB 1 85 TYR QE . . 4.480 4.264 3.427 4.515 0.035 11 0 "[ . 1 . 2]" 1
965 1 53 LEU QD 1 54 GLY H . . 3.620 2.612 1.938 3.610 . 0 0 "[ . 1 . 2]" 1
966 1 53 LEU QD 1 83 GLN QB . . 3.990 2.988 1.872 3.994 0.004 15 0 "[ . 1 . 2]" 1
967 1 53 LEU QD 1 83 GLN QG . . 3.920 2.478 1.748 3.780 . 0 0 "[ . 1 . 2]" 1
968 1 53 LEU QD 1 83 GLN QE . . 3.410 2.386 1.686 3.411 0.001 3 0 "[ . 1 . 2]" 1
969 1 53 LEU QD 1 84 VAL H . . 4.840 3.351 2.563 4.447 . 0 0 "[ . 1 . 2]" 1
970 1 53 LEU QD 1 85 TYR HA . . 4.350 3.300 2.019 4.322 . 0 0 "[ . 1 . 2]" 1
971 1 53 LEU QD 1 85 TYR QD . . 3.930 2.822 1.732 3.864 . 0 0 "[ . 1 . 2]" 1
972 1 53 LEU QD 1 85 TYR QE . . 3.630 2.650 1.727 3.627 . 0 0 "[ . 1 . 2]" 1
973 1 53 LEU QD 1 86 TYR H . . 5.100 4.484 3.504 5.113 0.013 8 0 "[ . 1 . 2]" 1
974 1 53 LEU QD 1 86 TYR QE . . 5.270 4.298 3.443 5.016 . 0 0 "[ . 1 . 2]" 1
975 1 54 GLY H 1 84 VAL QG . . 5.440 3.835 2.682 4.666 . 0 0 "[ . 1 . 2]" 1
976 1 54 GLY QA 1 55 SER H . . 2.750 2.176 2.108 2.283 . 0 0 "[ . 1 . 2]" 1
977 1 54 GLY QA 1 86 TYR QE . . 3.940 3.002 2.414 3.950 0.010 3 0 "[ . 1 . 2]" 1
978 1 55 SER H 1 55 SER QB . . 3.420 2.844 2.259 3.430 0.010 3 0 "[ . 1 . 2]" 1
979 1 55 SER H 1 56 VAL QG . . 4.770 4.332 2.983 4.805 0.035 4 0 "[ . 1 . 2]" 1
980 1 55 SER QB 1 56 VAL H . . 3.400 2.606 1.931 3.583 0.183 11 0 "[ . 1 . 2]" 1
981 1 56 VAL H 1 56 VAL QG . . 3.000 2.171 1.875 2.847 . 0 0 "[ . 1 . 2]" 1
982 1 56 VAL QG 1 57 MET H . . 3.480 2.980 2.073 3.700 0.220 8 0 "[ . 1 . 2]" 1
983 1 57 MET H 1 57 MET QB . . 3.480 2.776 2.111 3.202 . 0 0 "[ . 1 . 2]" 1
984 1 57 MET H 1 58 SER QB . . 5.040 4.944 4.436 5.477 0.437 20 0 "[ . 1 . 2]" 1
985 1 58 SER H 1 58 SER QB . . 3.190 2.583 2.218 3.246 0.056 6 0 "[ . 1 . 2]" 1
986 1 58 SER QB 1 59 ARG H . . 4.200 2.978 1.945 3.999 . 0 0 "[ . 1 . 2]" 1
987 1 59 ARG H 1 60 PRO QD . . 4.860 4.350 4.325 4.377 . 0 0 "[ . 1 . 2]" 1
988 1 59 ARG HA 1 59 ARG QG . . 3.130 2.612 2.109 3.321 0.191 15 0 "[ . 1 . 2]" 1
989 1 59 ARG QG 1 60 PRO QD . . 3.980 2.935 2.143 3.807 . 0 0 "[ . 1 . 2]" 1
990 1 60 PRO QB 1 61 LEU H . . 3.580 3.072 2.496 3.346 . 0 0 "[ . 1 . 2]" 1
991 1 60 PRO QB 1 62 ILE H . . 4.780 3.515 2.415 4.467 . 0 0 "[ . 1 . 2]" 1
992 1 61 LEU QB 1 82 ASN QD . . 4.390 3.804 3.426 4.023 . 0 0 "[ . 1 . 2]" 1
993 1 61 LEU QB 1 136 GLN QB . . 3.780 6.246 5.790 6.917 3.137 20 20 [*********-*********+] 1
994 1 61 LEU QD 1 82 ASN QB . . 5.340 3.903 2.352 4.350 . 0 0 "[ . 1 . 2]" 1
995 1 61 LEU QD 1 82 ASN QD . . 3.580 1.978 1.784 2.345 . 0 0 "[ . 1 . 2]" 1
996 1 61 LEU QD 1 136 GLN QB . . 3.240 6.486 6.054 7.087 3.847 12 20 [****-******+********] 1
997 1 62 ILE HG12 1 63 HIS QB . . 5.340 4.822 4.611 5.057 . 0 0 "[ . 1 . 2]" 1
998 1 62 ILE HG12 1 131 GLN QB . . 5.340 4.283 3.955 4.519 . 0 0 "[ . 1 . 2]" 1
999 1 62 ILE HG13 1 63 HIS QB . . 4.980 4.458 4.221 4.715 . 0 0 "[ . 1 . 2]" 1
1000 1 62 ILE MD 1 131 GLN QB . . 3.280 2.544 1.947 3.040 . 0 0 "[ . 1 . 2]" 1
1001 1 63 HIS H 1 63 HIS QB . . 3.260 2.498 2.400 2.620 . 0 0 "[ . 1 . 2]" 1
1002 1 64 PHE H 1 64 PHE QB . . 3.420 2.328 2.225 2.442 . 0 0 "[ . 1 . 2]" 1
1003 1 64 PHE QB 1 65 GLY H . . 3.570 2.183 1.903 2.692 . 0 0 "[ . 1 . 2]" 1
1004 1 64 PHE QB 1 66 ASN H . . 3.610 2.577 2.283 2.995 . 0 0 "[ . 1 . 2]" 1
1005 1 64 PHE QB 1 66 ASN HD21 . . 4.920 2.630 1.976 4.631 . 0 0 "[ . 1 . 2]" 1
1006 1 64 PHE QB 1 69 GLU HB2 . . 4.200 2.482 2.054 2.957 . 0 0 "[ . 1 . 2]" 1
1007 1 64 PHE QB 1 69 GLU HB3 . . 4.450 3.007 1.936 3.777 . 0 0 "[ . 1 . 2]" 1
1008 1 64 PHE QB 1 70 ASP H . . 4.580 3.459 2.950 3.893 . 0 0 "[ . 1 . 2]" 1
1009 1 64 PHE QD 1 69 GLU QG . . 4.670 3.780 3.087 4.405 . 0 0 "[ . 1 . 2]" 1
1010 1 64 PHE QE 1 131 GLN QB . . 4.100 5.789 5.129 6.102 2.002 7 20 [****-*+*************] 1
1011 1 64 PHE HZ 1 131 GLN QB . . 4.430 6.175 5.768 6.562 2.132 7 20 [******+*-***********] 1
1012 1 66 ASN H 1 66 ASN QB . . 3.230 2.622 2.207 2.701 . 0 0 "[ . 1 . 2]" 1
1013 1 66 ASN H 1 69 GLU QG . . 4.940 4.468 4.043 4.873 . 0 0 "[ . 1 . 2]" 1
1014 1 66 ASN QB 1 67 ASP H . . 3.520 2.335 2.182 3.462 . 0 0 "[ . 1 . 2]" 1
1015 1 66 ASN QB 1 68 TYR QD . . 5.340 5.022 4.556 5.415 0.075 1 0 "[ . 1 . 2]" 1
1016 1 66 ASN QB 1 69 GLU H . . 4.210 2.536 2.391 3.088 . 0 0 "[ . 1 . 2]" 1
1017 1 66 ASN QB 1 69 GLU HB3 . . 4.100 3.739 3.184 4.103 0.003 5 0 "[ . 1 . 2]" 1
1018 1 66 ASN HD21 1 69 GLU QG . . 4.730 2.610 1.902 3.443 . 0 0 "[ . 1 . 2]" 1
1019 1 66 ASN HD22 1 69 GLU QG . . 4.400 3.443 2.802 4.045 . 0 0 "[ . 1 . 2]" 1
1020 1 68 TYR HB3 1 69 GLU QG . . 3.890 3.250 3.071 3.878 . 0 0 "[ . 1 . 2]" 1
1021 1 68 TYR QD 1 69 GLU QG . . 3.570 3.001 2.467 3.501 . 0 0 "[ . 1 . 2]" 1
1022 1 68 TYR QE 1 72 TYR QB . . 4.570 3.482 3.027 3.899 . 0 0 "[ . 1 . 2]" 1
1023 1 69 GLU H 1 69 GLU QG . . 3.180 2.122 1.935 2.859 . 0 0 "[ . 1 . 2]" 1
1024 1 69 GLU H 1 72 TYR QB . . 5.340 4.635 4.461 4.776 . 0 0 "[ . 1 . 2]" 1
1025 1 69 GLU HA 1 69 GLU QG . . 3.430 2.554 2.137 3.110 . 0 0 "[ . 1 . 2]" 1
1026 1 70 ASP H 1 72 TYR QB . . 5.340 4.713 4.507 4.897 . 0 0 "[ . 1 . 2]" 1
1027 1 71 ARG H 1 71 ARG QG . . 4.050 3.532 2.144 4.060 0.010 5 0 "[ . 1 . 2]" 1
1028 1 71 ARG HA 1 71 ARG QG . . 3.410 2.516 2.212 3.343 . 0 0 "[ . 1 . 2]" 1
1029 1 72 TYR H 1 72 TYR QB . . 3.000 2.211 2.171 2.255 . 0 0 "[ . 1 . 2]" 1
1030 1 72 TYR HA 1 75 GLU QB . . 3.420 2.501 2.034 3.462 0.042 17 0 "[ . 1 . 2]" 1
1031 1 72 TYR HA 1 75 GLU QG . . 5.000 3.110 1.975 4.198 . 0 0 "[ . 1 . 2]" 1
1032 1 72 TYR QB 1 73 TYR H . . 3.590 2.432 2.241 2.733 . 0 0 "[ . 1 . 2]" 1
1033 1 72 TYR QB 1 74 ARG H . . 5.270 4.841 4.477 5.037 . 0 0 "[ . 1 . 2]" 1
1034 1 72 TYR QB 1 75 GLU H . . 5.340 4.895 4.759 5.238 . 0 0 "[ . 1 . 2]" 1
1035 1 72 TYR QD 1 76 ASN QB . . 4.320 3.409 2.969 3.894 . 0 0 "[ . 1 . 2]" 1
1036 1 73 TYR HA 1 76 ASN QB . . 4.350 3.320 2.786 3.922 . 0 0 "[ . 1 . 2]" 1
1037 1 73 TYR QB 1 74 ARG QG . . 3.610 3.220 2.999 3.605 . 0 0 "[ . 1 . 2]" 1
1038 1 73 TYR QD 1 74 ARG QG . . 3.490 2.716 1.959 3.105 . 0 0 "[ . 1 . 2]" 1
1039 1 73 TYR QD 1 77 MET QB . . 5.010 4.480 3.817 4.998 . 0 0 "[ . 1 . 2]" 1
1040 1 73 TYR QE 1 74 ARG QG . . 4.300 3.963 3.038 4.301 0.001 11 0 "[ . 1 . 2]" 1
1041 1 74 ARG H 1 74 ARG QG . . 3.620 2.265 1.952 2.768 . 0 0 "[ . 1 . 2]" 1
1042 1 74 ARG HA 1 74 ARG QG . . 3.470 2.468 2.253 2.764 . 0 0 "[ . 1 . 2]" 1
1043 1 74 ARG QG 1 75 GLU H . . 4.690 4.138 3.954 4.392 . 0 0 "[ . 1 . 2]" 1
1044 1 75 GLU H 1 75 GLU QG . . 3.360 2.817 2.501 3.049 . 0 0 "[ . 1 . 2]" 1
1045 1 75 GLU HA 1 75 GLU QG . . 3.440 2.596 2.178 3.311 . 0 0 "[ . 1 . 2]" 1
1046 1 75 GLU QB 1 76 ASN HD21 . . 4.390 2.844 2.396 4.343 . 0 0 "[ . 1 . 2]" 1
1047 1 75 GLU QG 1 76 ASN H . . 4.540 3.898 2.267 4.380 . 0 0 "[ . 1 . 2]" 1
1048 1 75 GLU QG 1 76 ASN HD21 . . 5.050 3.981 1.928 4.924 . 0 0 "[ . 1 . 2]" 1
1049 1 76 ASN H 1 76 ASN QB . . 3.590 2.350 2.261 2.529 . 0 0 "[ . 1 . 2]" 1
1050 1 77 MET H 1 77 MET QB . . 3.430 2.259 2.177 2.509 . 0 0 "[ . 1 . 2]" 1
1051 1 77 MET H 1 77 MET QG . . 4.160 3.716 2.108 4.041 . 0 0 "[ . 1 . 2]" 1
1052 1 77 MET HA 1 77 MET QG . . 3.560 2.607 2.254 3.338 . 0 0 "[ . 1 . 2]" 1
1053 1 77 MET QB 1 78 TYR H . . 4.080 2.764 2.424 3.577 . 0 0 "[ . 1 . 2]" 1
1054 1 77 MET QB 1 80 TYR QD . . 5.340 5.173 4.277 5.344 0.004 17 0 "[ . 1 . 2]" 1
1055 1 77 MET QB 1 80 TYR QE . . 4.300 3.927 3.032 4.188 . 0 0 "[ . 1 . 2]" 1
1056 1 77 MET QG 1 78 TYR H . . 4.190 3.538 2.223 4.094 . 0 0 "[ . 1 . 2]" 1
1057 1 77 MET QG 1 80 TYR QE . . 5.340 3.926 3.165 5.362 0.022 10 0 "[ . 1 . 2]" 1
1058 1 78 TYR H 1 78 TYR QB . . 3.320 2.448 2.313 2.499 . 0 0 "[ . 1 . 2]" 1
1059 1 78 TYR QB 1 79 ARG H . . 4.230 3.648 3.581 3.799 . 0 0 "[ . 1 . 2]" 1
1060 1 78 TYR QD 1 79 ARG QB . . 4.870 3.976 3.120 4.224 . 0 0 "[ . 1 . 2]" 1
1061 1 78 TYR QE 1 79 ARG QB . . 4.490 3.860 3.006 4.180 . 0 0 "[ . 1 . 2]" 1
1062 1 78 TYR QE 1 79 ARG QG . . 5.340 4.788 3.982 5.168 . 0 0 "[ . 1 . 2]" 1
1063 1 79 ARG H 1 79 ARG QG . . 4.090 3.944 2.608 4.059 . 0 0 "[ . 1 . 2]" 1
1064 1 79 ARG HA 1 79 ARG QG . . 3.400 2.545 2.219 3.271 . 0 0 "[ . 1 . 2]" 1
1065 1 79 ARG QB 1 80 TYR QD . . 4.950 3.191 2.588 4.218 . 0 0 "[ . 1 . 2]" 1
1066 1 79 ARG QG 1 80 TYR H . . 4.350 3.793 2.157 4.059 . 0 0 "[ . 1 . 2]" 1
1067 1 79 ARG QG 1 80 TYR QB . . 4.170 4.004 2.660 4.189 0.019 11 0 "[ . 1 . 2]" 1
1068 1 79 ARG QG 1 80 TYR QD . . 4.620 3.695 2.270 4.212 . 0 0 "[ . 1 . 2]" 1
1069 1 80 TYR H 1 80 TYR QB . . 3.370 3.080 3.020 3.155 . 0 0 "[ . 1 . 2]" 1
1070 1 81 PRO QB 1 83 GLN H . . 4.690 2.571 2.236 3.057 . 0 0 "[ . 1 . 2]" 1
1071 1 82 ASN H 1 83 GLN QB . . 5.340 3.778 3.534 4.198 . 0 0 "[ . 1 . 2]" 1
1072 1 83 GLN H 1 83 GLN QB . . 3.450 2.284 2.107 2.610 . 0 0 "[ . 1 . 2]" 1
1073 1 83 GLN H 1 83 GLN QG . . 4.140 3.324 1.945 4.111 . 0 0 "[ . 1 . 2]" 1
1074 1 83 GLN H 1 84 VAL QG . . 5.300 4.995 3.947 5.307 0.007 13 0 "[ . 1 . 2]" 1
1075 1 83 GLN QB 1 83 GLN QE . . 3.880 2.800 1.921 3.656 . 0 0 "[ . 1 . 2]" 1
1076 1 83 GLN QB 1 84 VAL H . . 4.310 2.950 2.296 3.582 . 0 0 "[ . 1 . 2]" 1
1077 1 83 GLN QB 1 84 VAL QG . . 4.840 4.282 3.825 4.714 . 0 0 "[ . 1 . 2]" 1
1078 1 83 GLN QB 1 85 TYR QE . . 5.340 4.846 3.696 5.347 0.007 7 0 "[ . 1 . 2]" 1
1079 1 83 GLN QG 1 84 VAL H . . 4.220 3.072 1.947 4.203 . 0 0 "[ . 1 . 2]" 1
1080 1 83 GLN QE 1 84 VAL QG . . 4.330 3.931 3.091 4.338 0.008 15 0 "[ . 1 . 2]" 1
1081 1 84 VAL HB 1 136 GLN QG . . 3.930 5.571 4.241 7.035 3.105 7 19 "[******+**** **-*****]" 1
1082 1 84 VAL QG 1 86 TYR QB . . 4.150 3.135 2.920 3.768 . 0 0 "[ . 1 . 2]" 1
1083 1 84 VAL QG 1 86 TYR QD . . 3.750 2.211 1.936 2.595 . 0 0 "[ . 1 . 2]" 1
1084 1 84 VAL QG 1 106 THR HG1 . . 5.440 2.837 2.050 4.740 . 0 0 "[ . 1 . 2]" 1
1085 1 84 VAL QG 1 136 GLN QG . . 4.030 2.984 2.180 3.895 . 0 0 "[ . 1 . 2]" 1
1086 1 84 VAL QG 1 136 GLN HG3 . . 6.390 3.442 2.269 5.369 . 0 0 "[ . 1 . 2]" 1
1087 1 84 VAL QG 1 137 TYR HA . . 3.650 7.649 7.137 8.035 4.385 17 20 [**************-*+***] 1
1088 1 84 VAL QG 1 140 GLU H . . 5.440 7.772 7.175 8.127 2.687 7 20 [******+*******-*****] 1
1089 1 84 VAL QG 1 140 GLU QB . . 5.220 7.434 6.946 7.828 2.608 17 20 [********-*******+***] 1
1090 1 86 TYR QB 1 98 PHE QD . . 4.970 2.333 1.986 3.017 . 0 0 "[ . 1 . 2]" 1
1091 1 86 TYR QB 1 98 PHE QE . . 5.190 3.102 2.713 3.797 . 0 0 "[ . 1 . 2]" 1
1092 1 86 TYR QD 1 140 GLU QB . . 4.230 4.694 4.399 5.051 0.821 6 8 "[ * **+ * 1 *- .* 2]" 1
1093 1 86 TYR QD 1 140 GLU QG . . 5.180 2.952 2.731 3.302 . 0 0 "[ . 1 . 2]" 1
1094 1 86 TYR QE 1 140 GLU QG . . 4.330 3.086 1.979 3.585 . 0 0 "[ . 1 . 2]" 1
1095 1 88 PRO QB 1 89 VAL H . . 3.940 3.190 2.899 3.314 . 0 0 "[ . 1 . 2]" 1
1096 1 88 PRO QB 1 89 VAL QG . . 4.520 3.690 3.491 3.950 . 0 0 "[ . 1 . 2]" 1
1097 1 89 VAL QG 1 98 PHE QD . . 3.440 2.786 2.479 3.207 . 0 0 "[ . 1 . 2]" 1
1098 1 89 VAL QG 1 99 VAL QG . . 4.820 4.137 4.038 4.341 . 0 0 "[ . 1 . 2]" 1
1099 1 89 VAL QG 1 141 SER QB . . 3.840 3.035 2.003 3.636 . 0 0 "[ . 1 . 2]" 1
1100 1 94 ASN QB 1 95 GLN H . . 3.660 1.963 1.919 2.063 . 0 0 "[ . 1 . 2]" 1
1101 1 94 ASN QB 1 95 GLN HB3 . . 4.380 4.368 4.255 4.433 0.053 6 0 "[ . 1 . 2]" 1
1102 1 94 ASN QB 1 95 GLN HG2 . . 4.500 3.067 2.860 3.413 . 0 0 "[ . 1 . 2]" 1
1103 1 94 ASN QB 1 95 GLN HG3 . . 3.560 3.451 3.004 3.583 0.023 7 0 "[ . 1 . 2]" 1
1104 1 94 ASN QB 1 95 GLN HE21 . . 4.750 4.656 4.448 4.762 0.012 4 0 "[ . 1 . 2]" 1
1105 1 94 ASN QB 1 96 ASN H . . 3.710 2.622 2.476 3.133 . 0 0 "[ . 1 . 2]" 1
1106 1 95 GLN H 1 96 ASN QB . . 4.750 4.498 4.283 4.755 0.005 5 0 "[ . 1 . 2]" 1
1107 1 95 GLN HG2 1 96 ASN QB . . 5.340 4.744 4.362 5.339 . 0 0 "[ . 1 . 2]" 1
1108 1 96 ASN H 1 96 ASN QB . . 3.030 2.225 2.088 2.371 . 0 0 "[ . 1 . 2]" 1
1109 1 96 ASN QB 1 96 ASN QD . . 3.040 2.230 2.067 2.501 . 0 0 "[ . 1 . 2]" 1
1110 1 97 ASN H 1 97 ASN QB . . 3.060 2.209 2.124 2.277 . 0 0 "[ . 1 . 2]" 1
1111 1 97 ASN H 1 97 ASN QD . . 4.710 4.150 2.430 4.627 . 0 0 "[ . 1 . 2]" 1
1112 1 98 PHE H 1 98 PHE QB . . 3.340 2.657 2.510 2.698 . 0 0 "[ . 1 . 2]" 1
1113 1 98 PHE QB 1 99 VAL H . . 3.990 3.482 3.449 3.495 . 0 0 "[ . 1 . 2]" 1
1114 1 99 VAL QG 1 100 HIS QB . . 4.340 4.249 4.088 4.318 . 0 0 "[ . 1 . 2]" 1
1115 1 103 VAL HA 1 107 VAL QG . . 3.710 3.656 3.307 4.091 0.381 19 0 "[ . 1 . 2]" 1
1116 1 103 VAL QG 1 104 ASN QB . . 5.070 4.234 4.091 4.374 . 0 0 "[ . 1 . 2]" 1
1117 1 104 ASN HA 1 107 VAL QG . . 3.950 2.648 2.137 3.056 . 0 0 "[ . 1 . 2]" 1
1118 1 104 ASN QB 1 105 ILE H . . 3.740 2.341 2.155 2.843 . 0 0 "[ . 1 . 2]" 1
1119 1 104 ASN QB 1 107 VAL QG . . 5.280 4.220 3.688 4.539 . 0 0 "[ . 1 . 2]" 1
1120 1 104 ASN QD 1 105 ILE HA . . 4.500 3.439 2.867 4.364 . 0 0 "[ . 1 . 2]" 1
1121 1 104 ASN QD 1 105 ILE MD . . 4.770 3.479 2.208 4.775 0.005 19 0 "[ . 1 . 2]" 1
1122 1 105 ILE H 1 105 ILE QG . . 3.760 2.113 1.932 2.687 . 0 0 "[ . 1 . 2]" 1
1123 1 105 ILE HB 1 109 GLN QE . . 5.340 4.390 3.979 5.153 . 0 0 "[ . 1 . 2]" 1
1124 1 105 ILE MG 1 109 GLN QE . . 4.200 2.059 1.753 2.583 . 0 0 "[ . 1 . 2]" 1
1125 1 105 ILE QG 1 106 THR H . . 4.390 4.032 3.927 4.197 . 0 0 "[ . 1 . 2]" 1
1126 1 105 ILE QG 1 109 GLN QE . . 5.180 4.451 3.762 5.178 . 0 0 "[ . 1 . 2]" 1
1127 1 106 THR H 1 107 VAL QG . . 4.540 4.019 3.423 4.209 . 0 0 "[ . 1 . 2]" 1
1128 1 106 THR HA 1 109 GLN QE . . 4.690 3.873 3.199 4.691 0.001 8 0 "[ . 1 . 2]" 1
1129 1 107 VAL H 1 107 VAL QG . . 3.130 2.120 1.836 2.360 . 0 0 "[ . 1 . 2]" 1
1130 1 107 VAL HA 1 107 VAL QG . . 2.910 2.136 2.061 2.316 . 0 0 "[ . 1 . 2]" 1
1131 1 107 VAL QG 1 108 LYS H . . 3.540 3.071 2.059 3.343 . 0 0 "[ . 1 . 2]" 1
1132 1 107 VAL QG 1 109 GLN H . . 5.270 4.688 4.182 4.922 . 0 0 "[ . 1 . 2]" 1
1133 1 107 VAL QG 1 110 HIS H . . 5.390 4.225 4.045 4.466 . 0 0 "[ . 1 . 2]" 1
1134 1 107 VAL QG 1 110 HIS QB . . 3.870 3.312 2.932 3.784 . 0 0 "[ . 1 . 2]" 1
1135 1 108 LYS HB2 1 109 GLN QE . . 4.050 2.546 2.095 2.800 . 0 0 "[ . 1 . 2]" 1
1136 1 108 LYS HB3 1 109 GLN QE . . 4.620 3.548 2.589 4.024 . 0 0 "[ . 1 . 2]" 1
1137 1 108 LYS HG2 1 109 GLN QE . . 4.820 4.710 4.271 4.826 0.006 11 0 "[ . 1 . 2]" 1
1138 1 108 LYS HG3 1 109 GLN QE . . 4.220 3.898 3.655 4.180 . 0 0 "[ . 1 . 2]" 1
1139 1 109 GLN HA 1 109 GLN QE . . 4.460 3.886 2.483 4.274 . 0 0 "[ . 1 . 2]" 1
1140 1 109 GLN HB2 1 109 GLN QE . . 3.930 2.770 2.122 3.839 . 0 0 "[ . 1 . 2]" 1
1141 1 109 GLN HB3 1 109 GLN QE . . 4.330 3.874 3.507 4.306 . 0 0 "[ . 1 . 2]" 1
1142 1 110 HIS QB 1 111 THR MG . . 4.400 3.014 2.624 3.531 . 0 0 "[ . 1 . 2]" 1
1143 1 117 PHE H 1 117 PHE QB . . 3.250 2.799 2.560 2.912 . 0 0 "[ . 1 . 2]" 1
1144 1 117 PHE QB 1 118 THR H . . 4.050 2.317 1.975 2.885 . 0 0 "[ . 1 . 2]" 1
1145 1 118 THR H 1 119 GLU QG . . 5.340 6.324 5.767 7.402 2.062 5 14 "[****+ -*** *.* ***]" 1
1146 1 119 GLU H 1 119 GLU QG . . 3.830 2.699 1.959 3.968 0.138 11 0 "[ . 1 . 2]" 1
1147 1 121 ASP H 1 121 ASP QB . . 3.390 2.259 2.128 2.529 . 0 0 "[ . 1 . 2]" 1
1148 1 121 ASP QB 1 122 ILE H . . 3.880 2.603 2.503 2.705 . 0 0 "[ . 1 . 2]" 1
1149 1 121 ASP QB 1 122 ILE MG . . 3.860 5.173 5.081 5.287 1.427 1 20 [+*****-*************] 1
1150 1 121 ASP QB 1 125 MET H . . 4.830 4.675 4.309 5.224 0.394 2 0 "[ . 1 . 2]" 1
1151 1 121 ASP QB 1 126 GLU H . . 4.230 6.475 6.093 6.992 2.762 2 20 [*+***************-**] 1
1152 1 123 LYS H 1 123 LYS QB . . 3.090 2.536 2.477 2.586 . 0 0 "[ . 1 . 2]" 1
1153 1 123 LYS HA 1 123 LYS QG . . 3.590 2.871 2.702 3.056 . 0 0 "[ . 1 . 2]" 1
1154 1 123 LYS QB 1 124 ILE H . . 3.700 2.278 2.221 2.510 . 0 0 "[ . 1 . 2]" 1
1155 1 123 LYS QG 1 124 ILE H . . 4.720 3.807 3.687 3.937 . 0 0 "[ . 1 . 2]" 1
1156 1 123 LYS QG 1 124 ILE HA . . 4.650 5.721 5.621 5.778 1.128 2 20 [*+*-****************] 1
1157 1 124 ILE H 1 125 MET QB . . 5.210 4.415 4.229 4.955 . 0 0 "[ . 1 . 2]" 1
1158 1 124 ILE HA 1 127 ARG QD . . 4.880 4.288 3.129 5.035 0.155 4 0 "[ . 1 . 2]" 1
1159 1 124 ILE MG 1 127 ARG QD . . 4.850 5.044 3.871 5.740 0.890 4 6 "[ +. * * -*. * 2]" 1
1160 1 126 GLU HA 1 130 GLU QG . . 4.710 4.765 3.509 6.835 2.125 19 6 "[* . 1 *** -+2]" 1
1161 1 127 ARG H 1 127 ARG QD . . 4.790 4.055 3.475 4.340 . 0 0 "[ . 1 . 2]" 1
1162 1 127 ARG HA 1 127 ARG QG . . 3.520 2.631 2.271 2.933 . 0 0 "[ . 1 . 2]" 1
1163 1 127 ARG HA 1 127 ARG QD . . 3.820 2.839 2.300 3.814 . 0 0 "[ . 1 . 2]" 1
1164 1 128 VAL QG 1 131 GLN QB . . 3.910 3.769 3.302 4.173 0.263 1 0 "[ . 1 . 2]" 1
1165 1 130 GLU H 1 130 GLU QG . . 3.710 2.693 1.931 3.955 0.245 19 0 "[ . 1 . 2]" 1
1166 1 130 GLU HA 1 130 GLU QG . . 3.520 2.587 2.116 3.388 . 0 0 "[ . 1 . 2]" 1
1167 1 130 GLU QG 1 131 GLN H . . 4.760 3.624 1.916 4.097 . 0 0 "[ . 1 . 2]" 1
1168 1 131 GLN H 1 131 GLN QB . . 3.160 2.374 2.222 2.546 . 0 0 "[ . 1 . 2]" 1
1169 1 131 GLN QB 1 132 MET H . . 3.160 2.713 2.447 2.842 . 0 0 "[ . 1 . 2]" 1
1170 1 133 CYS HA 1 136 GLN QG . . 3.930 3.743 3.245 4.541 0.611 7 3 "[ *. + 1 . - 2]" 1
1171 1 136 GLN H 1 136 GLN QB . . 3.500 2.182 2.134 2.275 . 0 0 "[ . 1 . 2]" 1
1172 1 136 GLN H 1 136 GLN QG . . 4.280 3.212 2.777 4.084 . 0 0 "[ . 1 . 2]" 1
1173 1 136 GLN QB 1 137 TYR H . . 4.090 2.895 2.804 2.987 . 0 0 "[ . 1 . 2]" 1
1174 1 136 GLN QG 1 137 TYR H . . 4.320 4.434 4.063 4.572 0.252 2 0 "[ . 1 . 2]" 1
1175 1 140 GLU H 1 140 GLU QG . . 4.710 2.312 2.250 2.476 . 0 0 "[ . 1 . 2]" 1
1176 1 140 GLU HA 1 143 ALA MB . . 3.500 3.239 2.817 3.483 . 0 0 "[ . 1 . 2]" 1
1177 1 140 GLU QB 1 141 SER H . . 4.040 2.528 2.207 2.742 . 0 0 "[ . 1 . 2]" 1
1178 1 142 GLN H 1 142 GLN QG . . 4.060 2.785 2.378 3.490 . 0 0 "[ . 1 . 2]" 1
1179 1 142 GLN HA 1 142 GLN QG . . 3.140 2.285 2.133 2.565 . 0 0 "[ . 1 . 2]" 1
1180 1 142 GLN HB2 1 142 GLN QE . . 4.430 3.790 3.171 4.317 . 0 0 "[ . 1 . 2]" 1
1181 1 143 ALA H 1 143 ALA MB . . 3.520 2.183 2.044 2.283 . 0 0 "[ . 1 . 2]" 1
1182 1 143 ALA MB 1 144 TYR H . . 3.970 2.767 2.482 2.888 . 0 0 "[ . 1 . 2]" 1
1183 1 146 GLN H 1 146 GLN QB . . 2.950 2.691 2.111 3.106 0.156 11 0 "[ . 1 . 2]" 1
1184 1 149 ALA H 1 149 ALA MB . . 3.260 2.377 2.080 2.864 . 0 0 "[ . 1 . 2]" 1
1185 1 149 ALA MB 1 150 SER H . . 4.010 2.904 2.087 3.681 . 0 0 "[ . 1 . 2]" 1
1186 1 150 SER H 1 150 SER QB . . 3.100 2.482 2.195 2.971 . 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 1
_Distance_constraint_stats_list.Viol_count 20
_Distance_constraint_stats_list.Viol_total 2442.811
_Distance_constraint_stats_list.Viol_max 6.494
_Distance_constraint_stats_list.Viol_rms 0.2023
_Distance_constraint_stats_list.Viol_average_all_restraints 6.1070
_Distance_constraint_stats_list.Viol_average_violations_only 6.1070
_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
1 102 CYS 122.141 6.494 19 20 [********-*********+*]
1 137 TYR 122.141 6.494 19 20 [********-*********+*]
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 1 102 CYS SG 1 137 TYR CB . . 3.000 9.107 8.774 9.494 6.494 19 20 [********-*********+*] 2
stop_
save_
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