NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
403096 |
1wic   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1wic
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 2675
_Distance_constraint_stats_list.Viol_count 2426
_Distance_constraint_stats_list.Viol_total 15658.595
_Distance_constraint_stats_list.Viol_max 5.579
_Distance_constraint_stats_list.Viol_rms 0.1205
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0146
_Distance_constraint_stats_list.Viol_average_violations_only 0.3227
_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 8 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 PRO 1.230 0.321 10 0 "[ . 1 . 2]"
1 11 LEU 1.230 0.321 10 0 "[ . 1 . 2]"
1 12 SER 0.031 0.031 20 0 "[ . 1 . 2]"
1 13 VAL 16.799 0.976 11 8 "[ .* ***+ * .* -]"
1 14 PHE 9.657 0.621 11 3 "[ . * 1+ .- 2]"
1 15 LYS 7.803 0.639 8 2 "[ . + 1 . -]"
1 16 GLY 18.525 0.918 9 19 "[********+******** -*]"
1 17 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 LEU 5.822 1.144 10 5 "[ -. + . * **]"
1 19 LEU 24.489 0.918 9 19 "[********+******** -*]"
1 20 HIS 0.576 0.146 8 0 "[ . 1 . 2]"
1 21 ILE 24.482 0.976 11 17 "[*****-****+** .** **]"
1 22 SER 0.983 0.154 11 0 "[ . 1 . 2]"
1 23 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 ALA 0.137 0.105 12 0 "[ . 1 . 2]"
1 25 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 GLU 7.874 0.875 6 3 "[ *.+ 1 . *2]"
1 27 LEU 7.701 0.672 8 1 "[ . + 1 . 2]"
1 28 TYR 100.778 5.579 2 18 "[ +****-**1**********]"
1 29 PHE 14.526 1.720 7 9 "[ ***.*+* 1 -*. *]"
1 30 GLY 1.485 0.424 4 0 "[ . 1 . 2]"
1 31 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 32 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 GLU 5.040 0.319 16 0 "[ . 1 . 2]"
1 37 LYS 3.597 0.223 19 0 "[ . 1 . 2]"
1 38 LYS 20.568 1.100 2 6 "[ +**. 1 * .* -]"
1 39 THR 9.265 0.438 17 0 "[ . 1 . 2]"
1 40 LEU 5.513 0.640 16 1 "[ . 1 .+ 2]"
1 41 ILE 26.933 0.768 19 18 "[*****-**** ** ****+*]"
1 42 VAL 2.808 0.790 14 1 "[ . 1 +. 2]"
1 43 LEU 4.062 0.301 11 0 "[ . 1 . 2]"
1 44 THR 46.349 1.236 3 20 [**+***********-*****]
1 45 ASN 2.723 0.181 12 0 "[ . 1 . 2]"
1 46 VAL 0.719 0.337 10 0 "[ . 1 . 2]"
1 47 THR 6.796 1.144 10 5 "[ -. + . * **]"
1 48 LYS 0.252 0.132 17 0 "[ . 1 . 2]"
1 49 ASN 1.428 0.310 15 0 "[ . 1 . 2]"
1 50 ILE 22.970 1.110 4 11 "[ +* ***1* -*** *]"
1 51 VAL 23.421 0.824 13 7 "[* . 1-*+*. **2]"
1 52 ALA 11.787 0.538 18 3 "[ . 1- * . + 2]"
1 53 PHE 0.753 0.153 11 0 "[ . 1 . 2]"
1 54 LYS 3.304 0.329 13 0 "[ . 1 . 2]"
1 55 VAL 35.651 1.303 10 20 [*****-***+**********]
1 56 ARG 27.043 2.739 16 8 "[ * . ***1* .+ - *]"
1 57 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 58 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 59 ALA 4.656 1.137 11 2 "[ . 1+ . - 2]"
1 60 PRO 6.576 0.500 7 1 "[ . + 1 . 2]"
1 61 GLU 5.149 0.985 11 3 "[ . - 1+ . * 2]"
1 62 LYS 10.569 1.137 11 2 "[ . 1+ . - 2]"
1 63 TYR 24.706 1.720 7 7 "[ * .*+* 1 **. - 2]"
1 64 ARG 6.513 0.414 11 0 "[ . 1 . 2]"
1 65 VAL 35.281 1.389 9 20 [********+********-**]
1 66 LYS 2.924 0.316 2 0 "[ . 1 . 2]"
1 67 PRO 1.248 0.222 12 0 "[ . 1 . 2]"
1 68 SER 7.350 0.488 17 0 "[ . 1 . 2]"
1 69 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 70 SER 1.481 0.318 5 0 "[ . 1 . 2]"
1 71 SER 3.048 0.465 12 0 "[ . 1 . 2]"
1 72 CYS 2.216 0.222 15 0 "[ . 1 . 2]"
1 73 ASP 0.126 0.126 13 0 "[ . 1 . 2]"
1 74 PRO 9.743 0.600 15 3 "[ . *1 -+ 2]"
1 75 GLY 4.624 0.287 19 0 "[ . 1 . 2]"
1 76 ALA 14.924 0.879 11 14 "[* **.*** *+** -* **]"
1 77 SER 22.915 1.236 3 18 "[ *+********** ***-**]"
1 78 ILE 2.902 0.222 12 0 "[ . 1 . 2]"
1 79 ASP 2.911 0.301 18 0 "[ . 1 . 2]"
1 80 ILE 20.307 0.768 19 12 "[ **.-** * * ** *+*]"
1 81 ILE 1.701 0.379 16 0 "[ . 1 . 2]"
1 82 VAL 46.110 1.389 9 20 [********+-**********]
1 83 SER 11.527 0.611 16 19 "[*** *****-*****+****]"
1 84 PRO 1.568 0.362 6 0 "[ . 1 . 2]"
1 85 HIS 7.017 0.372 7 0 "[ . 1 . 2]"
1 86 GLY 0.061 0.050 18 0 "[ . 1 . 2]"
1 87 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 88 LEU 5.740 1.017 9 1 "[ . +1 . 2]"
1 89 THR 0.963 0.376 3 0 "[ . 1 . 2]"
1 90 VAL 7.051 1.017 9 2 "[ . - +1 . 2]"
1 91 SER 20.778 2.210 16 12 "[ ***. * -* * *+ ***]"
1 92 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 93 GLN 42.792 2.210 16 16 "[ ***.** *-*** *+****]"
1 94 ASP 28.047 1.717 18 14 "[ ***.** ** -* ***+*2]"
1 95 ARG 9.701 0.721 7 4 "[ - . + 1 * . * 2]"
1 96 PHE 2.419 0.381 19 0 "[ . 1 . 2]"
1 97 LEU 5.412 0.535 3 2 "[ + . 1 - 2]"
1 98 ILE 34.647 1.303 10 20 [*****-***+**********]
1 99 MET 23.704 2.739 16 10 "[ * . ***1* *+-* *]"
1 100 ALA 1.763 0.121 13 0 "[ . 1 . 2]"
1 101 ALA 2.748 0.367 14 0 "[ . 1 . 2]"
1 102 GLU 12.363 0.824 13 6 "[* . 1**+*. -2]"
1 103 MET 25.779 1.190 2 17 "[ +**********-*.*** *]"
1 104 GLU 10.791 0.707 10 6 "[ . ** + - .* *]"
1 105 GLN 27.951 1.308 2 17 "[ +**********-*.*** *]"
1 106 SER 9.900 1.110 4 9 "[ +* ** 1* *.*- *]"
1 107 SER 23.906 1.869 1 16 "[+** * -*** * *******]"
1 108 GLY 6.027 0.906 19 7 "[- * . * * * *+2]"
1 109 THR 19.176 1.869 1 7 "[+ * . * * * **2]"
1 110 GLY 1.373 0.259 15 0 "[ . 1 . 2]"
1 111 PRO 1.487 0.221 12 0 "[ . 1 . 2]"
1 112 ALA 1.482 0.221 12 0 "[ . 1 . 2]"
1 113 GLU 18.091 0.536 2 2 "[ + . 1 - 2]"
1 114 LEU 10.338 0.390 17 0 "[ . 1 . 2]"
1 115 SER 12.763 0.619 3 3 "[ *+ . 1 - 2]"
1 116 GLN 18.778 0.619 3 10 "[ +***** 1 - ** *]"
1 117 PHE 13.235 0.584 6 9 "[ **+** 1 - ** *]"
1 118 TRP 5.962 0.522 17 1 "[ . 1 . + 2]"
1 119 LYS 26.354 1.294 7 13 "[ * ***+* 1 * -*** **]"
1 120 GLU 17.896 1.294 7 13 "[ * ***+* 1 * -*** **]"
1 121 VAL 6.630 0.294 9 0 "[ . 1 . 2]"
1 122 PRO 5.347 0.221 18 0 "[ . 1 . 2]"
1 123 ARG 3.372 0.333 9 0 "[ . 1 . 2]"
1 124 ASN 0.376 0.090 9 0 "[ . 1 . 2]"
1 125 LYS 6.375 0.337 16 0 "[ . 1 . 2]"
1 126 VAL 9.052 0.375 4 0 "[ . 1 . 2]"
1 127 MET 3.747 0.493 13 0 "[ . 1 . 2]"
1 128 GLU 1.849 0.326 14 0 "[ . 1 . 2]"
1 129 HIS 14.014 0.758 15 8 "[ - **** *1* + 2]"
1 130 ARG 6.995 0.758 15 8 "[ - **** *1* + 2]"
1 131 LEU 9.051 0.681 6 6 "[ .+ **1-* .* 2]"
1 132 ARG 9.209 0.875 6 3 "[ *.+ 1 . *2]"
1 133 CYS 6.784 0.721 7 4 "[ - . + 1 * . * 2]"
1 134 HIS 42.851 3.933 14 16 "[ * ** *****-*+*****2]"
1 135 THR 2.018 0.147 9 0 "[ . 1 . 2]"
1 136 VAL 129.016 5.579 2 19 "[ +*********-********]"
1 137 GLU 1.024 0.267 17 0 "[ . 1 . 2]"
1 140 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 141 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 143 SER 3.481 0.922 6 2 "[ .+ 1 .- 2]"
1 144 LEU 3.497 0.922 6 2 "[ .+ 1 .- 2]"
1 145 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 146 LEU 2.064 0.320 2 0 "[ . 1 . 2]"
1 148 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 149 PRO 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 8 LYS HA 1 8 LYS HG2 . . 4.210 3.108 2.078 3.990 . 0 0 "[ . 1 . 2]" 1
2 1 8 LYS HA 1 8 LYS HG3 . . 4.210 2.471 1.995 3.974 . 0 0 "[ . 1 . 2]" 1
3 1 8 LYS HA 1 9 LYS H . . 3.410 2.427 2.177 2.899 . 0 0 "[ . 1 . 2]" 1
4 1 8 LYS QB 1 9 LYS H . . 4.350 3.192 2.136 4.092 . 0 0 "[ . 1 . 2]" 1
5 1 8 LYS QG 1 9 LYS H . . 4.760 2.963 1.950 4.115 . 0 0 "[ . 1 . 2]" 1
6 1 9 LYS H 1 9 LYS QB . . 3.550 2.585 2.014 3.215 . 0 0 "[ . 1 . 2]" 1
7 1 9 LYS H 1 9 LYS HG2 . . 5.360 3.432 2.210 4.927 . 0 0 "[ . 1 . 2]" 1
8 1 9 LYS H 1 9 LYS QG . . 4.630 2.881 2.195 3.935 . 0 0 "[ . 1 . 2]" 1
9 1 9 LYS H 1 9 LYS HG3 . . 5.360 3.644 2.372 4.138 . 0 0 "[ . 1 . 2]" 1
10 1 9 LYS HA 1 9 LYS QD . . 4.420 3.755 2.103 4.306 . 0 0 "[ . 1 . 2]" 1
11 1 9 LYS HA 1 10 PRO HD2 . . 2.960 2.749 2.545 2.880 . 0 0 "[ . 1 . 2]" 1
12 1 9 LYS HA 1 10 PRO QD . . 2.580 1.968 1.871 2.048 . 0 0 "[ . 1 . 2]" 1
13 1 9 LYS HA 1 10 PRO HD3 . . 2.960 2.016 1.925 2.096 . 0 0 "[ . 1 . 2]" 1
14 1 9 LYS HA 1 10 PRO QG . . 4.240 3.957 3.863 4.029 . 0 0 "[ . 1 . 2]" 1
15 1 9 LYS QB 1 10 PRO QD . . 3.350 2.109 1.940 2.499 . 0 0 "[ . 1 . 2]" 1
16 1 9 LYS QD 1 10 PRO QD . . 5.040 4.194 2.114 4.597 . 0 0 "[ . 1 . 2]" 1
17 1 9 LYS QG 1 10 PRO QD . . 4.680 2.943 2.060 3.552 . 0 0 "[ . 1 . 2]" 1
18 1 10 PRO HA 1 11 LEU H . . 2.720 2.311 2.148 2.637 . 0 0 "[ . 1 . 2]" 1
19 1 10 PRO HA 1 11 LEU QB . . 4.440 4.004 3.695 4.564 0.124 3 0 "[ . 1 . 2]" 1
20 1 10 PRO HB2 1 11 LEU H . . 4.030 3.223 2.245 4.136 0.106 10 0 "[ . 1 . 2]" 1
21 1 10 PRO HB3 1 11 LEU H . . 4.030 3.724 3.195 4.351 0.321 10 0 "[ . 1 . 2]" 1
22 1 11 LEU H 1 11 LEU QB . . 3.010 2.330 1.960 2.865 . 0 0 "[ . 1 . 2]" 1
23 1 11 LEU H 1 11 LEU QD . . 4.200 3.430 2.178 4.047 . 0 0 "[ . 1 . 2]" 1
24 1 11 LEU H 1 11 LEU HG . . 4.900 4.258 3.531 4.868 . 0 0 "[ . 1 . 2]" 1
25 1 11 LEU HA 1 11 LEU MD1 . . 4.490 3.014 2.240 3.706 . 0 0 "[ . 1 . 2]" 1
26 1 11 LEU HA 1 11 LEU QD . . 3.130 2.517 1.862 2.819 . 0 0 "[ . 1 . 2]" 1
27 1 11 LEU HA 1 11 LEU MD2 . . 4.490 2.981 1.979 3.736 . 0 0 "[ . 1 . 2]" 1
28 1 11 LEU QB 1 12 SER H . . 4.360 3.338 2.057 4.065 . 0 0 "[ . 1 . 2]" 1
29 1 11 LEU HG 1 12 SER H . . 5.220 3.796 1.950 5.146 . 0 0 "[ . 1 . 2]" 1
30 1 12 SER HA 1 13 VAL H . . 2.970 2.342 2.240 2.500 . 0 0 "[ . 1 . 2]" 1
31 1 12 SER HA 1 13 VAL QG . . 4.340 3.205 2.968 3.730 . 0 0 "[ . 1 . 2]" 1
32 1 12 SER HA 1 24 ALA MB . . 4.680 4.419 3.863 4.582 . 0 0 "[ . 1 . 2]" 1
33 1 12 SER QB 1 13 VAL H . . 3.550 2.862 2.505 3.199 . 0 0 "[ . 1 . 2]" 1
34 1 12 SER QB 1 24 ALA H . . 4.030 3.548 2.872 4.061 0.031 20 0 "[ . 1 . 2]" 1
35 1 12 SER QB 1 24 ALA MB . . 3.460 2.542 1.956 2.841 . 0 0 "[ . 1 . 2]" 1
36 1 12 SER HB2 1 13 VAL H . . 4.380 3.896 2.729 4.040 . 0 0 "[ . 1 . 2]" 1
37 1 12 SER HB2 1 24 ALA H . . 4.740 3.760 2.936 4.498 . 0 0 "[ . 1 . 2]" 1
38 1 12 SER HB2 1 24 ALA MB . . 3.990 2.777 1.971 3.299 . 0 0 "[ . 1 . 2]" 1
39 1 12 SER HB3 1 13 VAL H . . 4.380 3.041 2.534 3.877 . 0 0 "[ . 1 . 2]" 1
40 1 12 SER HB3 1 24 ALA H . . 4.740 4.489 4.065 4.626 . 0 0 "[ . 1 . 2]" 1
41 1 12 SER HB3 1 24 ALA MB . . 3.990 3.080 2.631 3.369 . 0 0 "[ . 1 . 2]" 1
42 1 13 VAL H 1 13 VAL HB . . 3.630 3.402 2.558 3.843 0.213 13 0 "[ . 1 . 2]" 1
43 1 13 VAL H 1 13 VAL MG1 . . 3.920 2.874 2.191 3.875 . 0 0 "[ . 1 . 2]" 1
44 1 13 VAL H 1 13 VAL QG . . 3.440 2.460 2.120 3.014 . 0 0 "[ . 1 . 2]" 1
45 1 13 VAL H 1 13 VAL MG2 . . 3.920 2.803 2.522 3.153 . 0 0 "[ . 1 . 2]" 1
46 1 13 VAL H 1 14 PHE H . . 4.570 4.358 4.169 4.454 . 0 0 "[ . 1 . 2]" 1
47 1 13 VAL H 1 24 ALA MB . . 3.990 3.728 3.125 4.095 0.105 12 0 "[ . 1 . 2]" 1
48 1 13 VAL HA 1 13 VAL MG1 . . 3.370 2.600 2.413 2.770 . 0 0 "[ . 1 . 2]" 1
49 1 13 VAL HA 1 13 VAL MG2 . . 3.370 2.833 2.197 3.158 . 0 0 "[ . 1 . 2]" 1
50 1 13 VAL HA 1 14 PHE H . . 3.160 2.252 2.184 2.314 . 0 0 "[ . 1 . 2]" 1
51 1 13 VAL HA 1 22 SER QB . . 4.340 3.987 3.688 4.118 . 0 0 "[ . 1 . 2]" 1
52 1 13 VAL HA 1 24 ALA H . . 4.900 2.918 2.371 3.597 . 0 0 "[ . 1 . 2]" 1
53 1 13 VAL HA 1 24 ALA MB . . 4.000 2.962 2.524 3.340 . 0 0 "[ . 1 . 2]" 1
54 1 13 VAL HB 1 14 PHE H . . 4.680 3.581 3.025 4.405 . 0 0 "[ . 1 . 2]" 1
55 1 13 VAL HB 1 15 LYS QE . . 4.850 3.498 2.091 4.286 . 0 0 "[ . 1 . 2]" 1
56 1 13 VAL QG 1 14 PHE H . . 3.390 2.942 2.408 3.185 . 0 0 "[ . 1 . 2]" 1
57 1 13 VAL QG 1 15 LYS HA . . 4.290 3.281 3.138 3.654 . 0 0 "[ . 1 . 2]" 1
58 1 13 VAL QG 1 15 LYS QD . . 4.540 2.660 2.031 3.646 . 0 0 "[ . 1 . 2]" 1
59 1 13 VAL QG 1 15 LYS QE . . 3.250 1.886 1.711 2.690 . 0 0 "[ . 1 . 2]" 1
60 1 13 VAL QG 1 15 LYS QG . . 3.900 3.308 2.255 3.512 . 0 0 "[ . 1 . 2]" 1
61 1 13 VAL QG 1 20 HIS HA . . 4.460 4.147 4.046 4.239 . 0 0 "[ . 1 . 2]" 1
62 1 13 VAL QG 1 20 HIS HB2 . . 4.590 4.010 3.469 4.162 . 0 0 "[ . 1 . 2]" 1
63 1 13 VAL QG 1 20 HIS HB3 . . 3.620 2.689 2.385 2.822 . 0 0 "[ . 1 . 2]" 1
64 1 13 VAL QG 1 21 ILE H . . 3.870 3.345 2.877 3.890 0.020 11 0 "[ . 1 . 2]" 1
65 1 13 VAL QG 1 21 ILE HA . . 5.010 4.664 4.194 5.013 0.003 9 0 "[ . 1 . 2]" 1
66 1 13 VAL QG 1 22 SER H . . 5.440 4.493 3.897 4.927 . 0 0 "[ . 1 . 2]" 1
67 1 13 VAL QG 1 22 SER HA . . 4.090 3.150 2.571 3.607 . 0 0 "[ . 1 . 2]" 1
68 1 13 VAL QG 1 22 SER QB . . 3.750 2.519 2.050 2.953 . 0 0 "[ . 1 . 2]" 1
69 1 13 VAL QG 1 24 ALA MB . . 4.470 3.942 3.696 4.180 . 0 0 "[ . 1 . 2]" 1
70 1 13 VAL MG1 1 14 PHE H . . 4.040 3.722 2.429 4.373 0.333 18 0 "[ . 1 . 2]" 1
71 1 13 VAL MG1 1 15 LYS QE . . 3.970 2.784 1.904 3.363 . 0 0 "[ . 1 . 2]" 1
72 1 13 VAL MG1 1 15 LYS HG2 . . 6.310 5.348 3.586 6.835 0.525 20 1 "[ . 1 . +]" 1
73 1 13 VAL MG1 1 15 LYS HG3 . . 6.310 5.389 3.236 6.044 . 0 0 "[ . 1 . 2]" 1
74 1 13 VAL MG1 1 21 ILE H . . 5.220 4.770 2.892 6.071 0.851 6 3 "[ .+ -1 * . 2]" 1
75 1 13 VAL MG1 1 22 SER HA . . 4.750 3.391 2.871 3.772 . 0 0 "[ . 1 . 2]" 1
76 1 13 VAL MG1 1 22 SER QB . . 5.170 2.661 2.127 3.433 . 0 0 "[ . 1 . 2]" 1
77 1 13 VAL MG2 1 14 PHE H . . 4.040 3.494 3.143 4.160 0.120 14 0 "[ . 1 . 2]" 1
78 1 13 VAL MG2 1 15 LYS QE . . 3.970 2.368 1.718 3.544 . 0 0 "[ . 1 . 2]" 1
79 1 13 VAL MG2 1 15 LYS HG2 . . 6.310 4.622 2.284 6.949 0.639 8 1 "[ . + 1 . 2]" 1
80 1 13 VAL MG2 1 15 LYS HG3 . . 6.310 4.596 3.649 6.546 0.236 11 0 "[ . 1 . 2]" 1
81 1 13 VAL MG2 1 21 ILE H . . 5.220 4.181 3.031 6.196 0.976 11 4 "[ . * -+ .* 2]" 1
82 1 13 VAL MG2 1 22 SER HA . . 4.750 3.865 2.674 4.591 . 0 0 "[ . 1 . 2]" 1
83 1 13 VAL MG2 1 22 SER QB . . 5.170 3.332 2.529 3.875 . 0 0 "[ . 1 . 2]" 1
84 1 14 PHE H 1 14 PHE HB2 . . 4.200 2.630 2.466 2.746 . 0 0 "[ . 1 . 2]" 1
85 1 14 PHE H 1 14 PHE QB . . 3.560 2.039 1.999 2.095 . 0 0 "[ . 1 . 2]" 1
86 1 14 PHE H 1 14 PHE HB3 . . 4.200 2.131 2.055 2.266 . 0 0 "[ . 1 . 2]" 1
87 1 14 PHE H 1 15 LYS H . . 4.560 4.262 4.242 4.293 . 0 0 "[ . 1 . 2]" 1
88 1 14 PHE H 1 21 ILE H . . 3.980 3.574 3.118 4.295 0.315 11 0 "[ . 1 . 2]" 1
89 1 14 PHE H 1 21 ILE HB . . 4.600 3.422 3.052 4.418 . 0 0 "[ . 1 . 2]" 1
90 1 14 PHE H 1 21 ILE MD . . 5.500 5.771 5.336 6.121 0.621 11 3 "[ . * 1+ .- 2]" 1
91 1 14 PHE H 1 21 ILE MG . . 4.710 4.216 4.021 4.443 . 0 0 "[ . 1 . 2]" 1
92 1 14 PHE H 1 22 SER HA . . 4.460 3.487 3.087 3.783 . 0 0 "[ . 1 . 2]" 1
93 1 14 PHE H 1 24 ALA HA . . 4.150 2.269 1.926 2.987 . 0 0 "[ . 1 . 2]" 1
94 1 14 PHE H 1 24 ALA MB . . 3.980 2.873 2.673 3.130 . 0 0 "[ . 1 . 2]" 1
95 1 14 PHE HA 1 14 PHE QD . . 4.000 2.697 2.367 2.928 . 0 0 "[ . 1 . 2]" 1
96 1 14 PHE HA 1 15 LYS H . . 3.080 2.264 2.252 2.271 . 0 0 "[ . 1 . 2]" 1
97 1 14 PHE HA 1 24 ALA HA . . 4.420 3.884 3.623 4.307 . 0 0 "[ . 1 . 2]" 1
98 1 14 PHE HA 1 24 ALA MB . . 4.060 3.047 2.709 3.368 . 0 0 "[ . 1 . 2]" 1
99 1 14 PHE QB 1 21 ILE H . . 4.170 2.960 2.242 3.245 . 0 0 "[ . 1 . 2]" 1
100 1 14 PHE QB 1 21 ILE HB . . 3.780 2.030 1.959 2.715 . 0 0 "[ . 1 . 2]" 1
101 1 14 PHE QB 1 24 ALA HA . . 3.510 2.274 1.953 2.559 . 0 0 "[ . 1 . 2]" 1
102 1 14 PHE QB 1 24 ALA MB . . 3.320 2.745 2.553 2.886 . 0 0 "[ . 1 . 2]" 1
103 1 14 PHE QB 1 129 HIS HD2 . . 4.680 3.761 3.017 4.702 0.022 12 0 "[ . 1 . 2]" 1
104 1 14 PHE HB2 1 21 ILE H . . 4.990 4.674 3.953 4.927 . 0 0 "[ . 1 . 2]" 1
105 1 14 PHE HB2 1 21 ILE HB . . 4.580 3.503 3.027 4.211 . 0 0 "[ . 1 . 2]" 1
106 1 14 PHE HB2 1 24 ALA HA . . 4.090 2.410 1.985 2.724 . 0 0 "[ . 1 . 2]" 1
107 1 14 PHE HB2 1 24 ALA MB . . 3.920 2.815 2.591 2.982 . 0 0 "[ . 1 . 2]" 1
108 1 14 PHE HB3 1 21 ILE H . . 4.990 2.994 2.254 3.294 . 0 0 "[ . 1 . 2]" 1
109 1 14 PHE HB3 1 21 ILE HB . . 4.580 2.044 1.968 2.749 . 0 0 "[ . 1 . 2]" 1
110 1 14 PHE HB3 1 24 ALA HA . . 4.090 2.871 2.650 3.149 . 0 0 "[ . 1 . 2]" 1
111 1 14 PHE HB3 1 24 ALA MB . . 3.920 3.824 3.646 3.894 . 0 0 "[ . 1 . 2]" 1
112 1 14 PHE QD 1 15 LYS H . . 4.230 3.994 3.346 4.280 0.050 10 0 "[ . 1 . 2]" 1
113 1 14 PHE QD 1 16 GLY H . . 4.930 4.094 2.979 4.719 . 0 0 "[ . 1 . 2]" 1
114 1 14 PHE QD 1 16 GLY HA2 . . 5.380 4.145 3.573 4.504 . 0 0 "[ . 1 . 2]" 1
115 1 14 PHE QD 1 21 ILE H . . 4.780 2.929 1.989 3.420 . 0 0 "[ . 1 . 2]" 1
116 1 14 PHE QD 1 21 ILE HB . . 4.250 2.387 1.969 2.889 . 0 0 "[ . 1 . 2]" 1
117 1 14 PHE QD 1 21 ILE MD . . 3.680 3.548 2.869 3.690 0.010 18 0 "[ . 1 . 2]" 1
118 1 14 PHE QD 1 21 ILE QG . . 4.720 2.001 1.849 3.286 . 0 0 "[ . 1 . 2]" 1
119 1 14 PHE QD 1 21 ILE MG . . 4.690 3.746 3.318 4.241 . 0 0 "[ . 1 . 2]" 1
120 1 14 PHE QD 1 24 ALA MB . . 4.370 4.089 3.508 4.303 . 0 0 "[ . 1 . 2]" 1
121 1 14 PHE QD 1 127 MET ME . . 3.980 3.308 2.972 3.675 . 0 0 "[ . 1 . 2]" 1
122 1 14 PHE QE 1 16 GLY HA2 . . 4.460 3.285 2.591 3.861 . 0 0 "[ . 1 . 2]" 1
123 1 14 PHE QE 1 16 GLY HA3 . . 4.350 3.354 2.525 4.097 . 0 0 "[ . 1 . 2]" 1
124 1 14 PHE QE 1 21 ILE MD . . 4.380 4.087 3.184 4.311 . 0 0 "[ . 1 . 2]" 1
125 1 14 PHE QE 1 127 MET ME . . 3.240 2.500 1.968 3.138 . 0 0 "[ . 1 . 2]" 1
126 1 15 LYS H 1 15 LYS HB2 . . 4.030 2.283 2.072 2.673 . 0 0 "[ . 1 . 2]" 1
127 1 15 LYS H 1 15 LYS QB . . 3.390 2.249 2.054 2.598 . 0 0 "[ . 1 . 2]" 1
128 1 15 LYS H 1 15 LYS HB3 . . 4.030 3.458 3.377 3.548 . 0 0 "[ . 1 . 2]" 1
129 1 15 LYS H 1 15 LYS HG2 . . 4.280 3.250 1.916 4.311 0.031 8 0 "[ . 1 . 2]" 1
130 1 15 LYS H 1 15 LYS HG3 . . 4.280 3.575 2.624 3.974 . 0 0 "[ . 1 . 2]" 1
131 1 15 LYS H 1 16 GLY H . . 4.710 4.268 3.743 4.483 . 0 0 "[ . 1 . 2]" 1
132 1 15 LYS HA 1 15 LYS QE . . 5.070 3.286 3.029 3.756 . 0 0 "[ . 1 . 2]" 1
133 1 15 LYS HA 1 15 LYS HG2 . . 3.960 3.232 2.639 3.513 . 0 0 "[ . 1 . 2]" 1
134 1 15 LYS HA 1 15 LYS HG3 . . 3.960 2.832 1.995 3.816 . 0 0 "[ . 1 . 2]" 1
135 1 15 LYS HA 1 16 GLY H . . 3.110 2.253 2.177 2.546 . 0 0 "[ . 1 . 2]" 1
136 1 15 LYS HA 1 20 HIS HA . . 3.880 3.645 3.099 3.856 . 0 0 "[ . 1 . 2]" 1
137 1 15 LYS HA 1 20 HIS HB3 . . 5.380 3.860 2.996 4.363 . 0 0 "[ . 1 . 2]" 1
138 1 15 LYS HA 1 20 HIS HD2 . . 3.770 3.508 3.219 3.684 . 0 0 "[ . 1 . 2]" 1
139 1 15 LYS HA 1 21 ILE H . . 4.600 4.296 3.573 4.661 0.061 8 0 "[ . 1 . 2]" 1
140 1 15 LYS QB 1 15 LYS QD . . 3.240 2.268 1.931 2.370 . 0 0 "[ . 1 . 2]" 1
141 1 15 LYS QB 1 16 GLY H . . 3.990 3.787 3.462 4.000 0.010 13 0 "[ . 1 . 2]" 1
142 1 15 LYS HB2 1 16 GLY H . . 4.580 4.608 4.309 4.721 0.141 8 0 "[ . 1 . 2]" 1
143 1 15 LYS HB2 1 20 HIS HE1 . . 5.500 4.775 3.893 5.090 . 0 0 "[ . 1 . 2]" 1
144 1 15 LYS HB3 1 16 GLY H . . 4.580 4.033 3.648 4.473 . 0 0 "[ . 1 . 2]" 1
145 1 15 LYS HB3 1 20 HIS HE1 . . 5.500 3.606 2.330 4.359 . 0 0 "[ . 1 . 2]" 1
146 1 15 LYS QD 1 20 HIS HE1 . . 4.370 3.169 1.887 4.029 . 0 0 "[ . 1 . 2]" 1
147 1 15 LYS QE 1 15 LYS HG2 . . 3.770 2.839 2.123 3.337 . 0 0 "[ . 1 . 2]" 1
148 1 15 LYS QE 1 15 LYS HG3 . . 3.770 2.610 2.106 3.030 . 0 0 "[ . 1 . 2]" 1
149 1 15 LYS QE 1 20 HIS HE1 . . 4.220 3.213 2.485 4.094 . 0 0 "[ . 1 . 2]" 1
150 1 15 LYS QG 1 16 GLY H . . 4.780 4.307 3.917 4.812 0.032 11 0 "[ . 1 . 2]" 1
151 1 15 LYS QG 1 20 HIS HE1 . . 4.830 2.768 1.879 4.179 . 0 0 "[ . 1 . 2]" 1
152 1 15 LYS HG2 1 16 GLY H . . 5.500 5.292 4.692 5.556 0.056 1 0 "[ . 1 . 2]" 1
153 1 15 LYS HG3 1 16 GLY H . . 5.500 4.814 4.021 5.949 0.449 14 0 "[ . 1 . 2]" 1
154 1 16 GLY H 1 18 LEU H . . 5.500 4.916 4.655 5.100 . 0 0 "[ . 1 . 2]" 1
155 1 16 GLY H 1 19 LEU H . . 4.790 5.506 5.205 5.708 0.918 9 19 "[********+******** -*]" 1
156 1 16 GLY H 1 20 HIS H . . 5.140 4.511 4.174 4.631 . 0 0 "[ . 1 . 2]" 1
157 1 16 GLY H 1 20 HIS HA . . 3.610 2.141 1.911 2.305 . 0 0 "[ . 1 . 2]" 1
158 1 16 GLY H 1 20 HIS HD2 . . 3.480 2.130 1.932 2.630 . 0 0 "[ . 1 . 2]" 1
159 1 16 GLY H 1 21 ILE H . . 4.320 3.546 2.945 3.872 . 0 0 "[ . 1 . 2]" 1
160 1 16 GLY H 1 21 ILE QG . . 5.500 4.399 4.136 5.055 . 0 0 "[ . 1 . 2]" 1
161 1 16 GLY H 1 46 VAL QG . . 4.830 3.947 3.673 4.382 . 0 0 "[ . 1 . 2]" 1
162 1 16 GLY H 1 127 MET ME . . 4.740 4.593 4.220 4.705 . 0 0 "[ . 1 . 2]" 1
163 1 16 GLY HA2 1 17 PRO HD2 . . 3.570 2.709 2.634 2.834 . 0 0 "[ . 1 . 2]" 1
164 1 16 GLY HA2 1 17 PRO HD3 . . 3.530 2.003 1.968 2.073 . 0 0 "[ . 1 . 2]" 1
165 1 16 GLY HA2 1 17 PRO QG . . 4.630 3.946 3.911 4.011 . 0 0 "[ . 1 . 2]" 1
166 1 16 GLY HA2 1 18 LEU H . . 4.730 3.935 3.879 4.003 . 0 0 "[ . 1 . 2]" 1
167 1 16 GLY HA2 1 127 MET ME . . 4.470 4.083 3.529 4.265 . 0 0 "[ . 1 . 2]" 1
168 1 16 GLY HA3 1 17 PRO HD2 . . 3.760 2.809 2.685 2.888 . 0 0 "[ . 1 . 2]" 1
169 1 16 GLY HA3 1 18 LEU H . . 4.650 3.153 3.078 3.231 . 0 0 "[ . 1 . 2]" 1
170 1 16 GLY HA3 1 19 LEU H . . 4.450 3.861 3.490 4.040 . 0 0 "[ . 1 . 2]" 1
171 1 16 GLY HA3 1 127 MET ME . . 3.250 3.107 2.786 3.212 . 0 0 "[ . 1 . 2]" 1
172 1 17 PRO HA 1 18 LEU QD . . 4.820 4.058 3.964 4.175 . 0 0 "[ . 1 . 2]" 1
173 1 17 PRO HA 1 46 VAL QG . . 4.500 3.648 3.146 4.214 . 0 0 "[ . 1 . 2]" 1
174 1 17 PRO HB2 1 18 LEU H . . 4.330 3.702 3.643 3.762 . 0 0 "[ . 1 . 2]" 1
175 1 17 PRO HB2 1 18 LEU QD . . 3.780 2.603 2.316 2.802 . 0 0 "[ . 1 . 2]" 1
176 1 17 PRO HB2 1 18 LEU HG . . 4.350 3.085 2.789 3.297 . 0 0 "[ . 1 . 2]" 1
177 1 17 PRO HB3 1 18 LEU QD . . 4.750 4.021 3.830 4.183 . 0 0 "[ . 1 . 2]" 1
178 1 17 PRO HD2 1 18 LEU H . . 4.300 2.369 2.333 2.413 . 0 0 "[ . 1 . 2]" 1
179 1 17 PRO HD2 1 127 MET ME . . 4.110 3.488 2.724 3.767 . 0 0 "[ . 1 . 2]" 1
180 1 17 PRO HD2 1 127 MET QG . . 4.390 3.198 1.956 3.793 . 0 0 "[ . 1 . 2]" 1
181 1 17 PRO QG 1 18 LEU H . . 3.710 3.248 3.173 3.326 . 0 0 "[ . 1 . 2]" 1
182 1 17 PRO QG 1 18 LEU QD . . 4.770 2.974 2.778 3.112 . 0 0 "[ . 1 . 2]" 1
183 1 17 PRO QG 1 18 LEU HG . . 3.810 2.538 2.479 2.609 . 0 0 "[ . 1 . 2]" 1
184 1 17 PRO QG 1 127 MET QG . . 4.890 3.625 2.616 4.073 . 0 0 "[ . 1 . 2]" 1
185 1 17 PRO HG2 1 18 LEU H . . 4.480 3.344 3.260 3.431 . 0 0 "[ . 1 . 2]" 1
186 1 17 PRO HG2 1 18 LEU HG . . 4.680 2.558 2.497 2.630 . 0 0 "[ . 1 . 2]" 1
187 1 17 PRO HG3 1 18 LEU H . . 4.480 4.409 4.353 4.466 . 0 0 "[ . 1 . 2]" 1
188 1 17 PRO HG3 1 18 LEU HG . . 4.680 4.236 4.169 4.337 . 0 0 "[ . 1 . 2]" 1
189 1 18 LEU H 1 18 LEU HB2 . . 4.090 2.917 2.782 3.046 . 0 0 "[ . 1 . 2]" 1
190 1 18 LEU H 1 18 LEU QB . . 3.490 2.828 2.713 2.933 . 0 0 "[ . 1 . 2]" 1
191 1 18 LEU H 1 18 LEU HB3 . . 4.090 3.807 3.765 3.859 . 0 0 "[ . 1 . 2]" 1
192 1 18 LEU H 1 18 LEU MD1 . . 4.590 3.801 3.680 3.926 . 0 0 "[ . 1 . 2]" 1
193 1 18 LEU H 1 18 LEU QD . . 3.730 3.207 3.129 3.295 . 0 0 "[ . 1 . 2]" 1
194 1 18 LEU H 1 18 LEU MD2 . . 4.590 3.463 3.313 3.644 . 0 0 "[ . 1 . 2]" 1
195 1 18 LEU H 1 18 LEU HG . . 3.990 2.448 2.306 2.573 . 0 0 "[ . 1 . 2]" 1
196 1 18 LEU H 1 19 LEU H . . 3.170 2.503 2.129 2.588 . 0 0 "[ . 1 . 2]" 1
197 1 18 LEU H 1 46 VAL QG . . 4.660 3.781 3.655 3.936 . 0 0 "[ . 1 . 2]" 1
198 1 18 LEU H 1 47 THR MG . . 4.340 4.173 4.106 4.258 . 0 0 "[ . 1 . 2]" 1
199 1 18 LEU H 1 127 MET ME . . 4.240 3.785 3.518 4.062 . 0 0 "[ . 1 . 2]" 1
200 1 18 LEU HA 1 18 LEU QD . . 2.950 2.283 2.077 2.518 . 0 0 "[ . 1 . 2]" 1
201 1 18 LEU HA 1 46 VAL QG . . 3.790 3.035 2.754 3.297 . 0 0 "[ . 1 . 2]" 1
202 1 18 LEU HA 1 47 THR MG . . 2.950 1.795 1.751 1.969 . 0 0 "[ . 1 . 2]" 1
203 1 18 LEU QB 1 18 LEU QD . . 2.830 1.935 1.878 1.967 . 0 0 "[ . 1 . 2]" 1
204 1 18 LEU QB 1 19 LEU H . . 3.470 1.991 1.917 2.365 . 0 0 "[ . 1 . 2]" 1
205 1 18 LEU QB 1 47 THR MG . . 4.360 2.357 1.888 2.605 . 0 0 "[ . 1 . 2]" 1
206 1 18 LEU QB 1 100 ALA MB . . 3.710 2.912 2.638 3.390 . 0 0 "[ . 1 . 2]" 1
207 1 18 LEU QB 1 127 MET ME . . 4.000 3.595 3.124 3.981 . 0 0 "[ . 1 . 2]" 1
208 1 18 LEU HB2 1 19 LEU H . . 4.050 2.004 1.928 2.389 . 0 0 "[ . 1 . 2]" 1
209 1 18 LEU HB3 1 19 LEU H . . 4.050 3.448 3.296 3.804 . 0 0 "[ . 1 . 2]" 1
210 1 18 LEU QD 1 46 VAL QG . . 4.660 4.188 3.966 4.379 . 0 0 "[ . 1 . 2]" 1
211 1 18 LEU QD 1 47 THR H . . 5.050 5.247 4.824 6.194 1.144 10 5 "[ -. + . * **]" 1
212 1 18 LEU QD 1 47 THR HA . . 5.320 5.174 4.744 5.457 0.137 13 0 "[ . 1 . 2]" 1
213 1 18 LEU QD 1 47 THR HB . . 5.440 4.514 4.155 4.722 . 0 0 "[ . 1 . 2]" 1
214 1 18 LEU QD 1 47 THR MG . . 2.830 2.433 2.090 2.727 . 0 0 "[ . 1 . 2]" 1
215 1 18 LEU QD 1 51 VAL QG . . 3.930 3.050 2.865 3.144 . 0 0 "[ . 1 . 2]" 1
216 1 18 LEU QD 1 100 ALA MB . . 3.670 3.148 2.896 3.203 . 0 0 "[ . 1 . 2]" 1
217 1 18 LEU QD 1 101 ALA H . . 4.610 4.253 4.049 4.376 . 0 0 "[ . 1 . 2]" 1
218 1 18 LEU QD 1 101 ALA MB . . 3.710 3.623 3.543 3.748 0.038 13 0 "[ . 1 . 2]" 1
219 1 18 LEU QD 1 102 GLU H . . 3.240 2.187 2.031 2.304 . 0 0 "[ . 1 . 2]" 1
220 1 18 LEU QD 1 102 GLU HA . . 4.710 3.787 3.525 3.895 . 0 0 "[ . 1 . 2]" 1
221 1 18 LEU QD 1 102 GLU HB2 . . 3.380 2.267 2.198 2.340 . 0 0 "[ . 1 . 2]" 1
222 1 18 LEU QD 1 102 GLU HB3 . . 3.600 3.526 3.469 3.567 . 0 0 "[ . 1 . 2]" 1
223 1 18 LEU QD 1 102 GLU QG . . 3.220 2.996 2.692 3.125 . 0 0 "[ . 1 . 2]" 1
224 1 18 LEU QD 1 126 VAL HA . . 4.730 3.606 3.116 4.384 . 0 0 "[ . 1 . 2]" 1
225 1 18 LEU QD 1 127 MET H . . 4.130 2.906 2.571 3.391 . 0 0 "[ . 1 . 2]" 1
226 1 18 LEU QD 1 127 MET QB . . 3.240 2.310 1.813 2.594 . 0 0 "[ . 1 . 2]" 1
227 1 18 LEU QD 1 127 MET ME . . 4.200 3.750 3.436 3.910 . 0 0 "[ . 1 . 2]" 1
228 1 18 LEU QD 1 127 MET QG . . 4.410 3.944 3.336 4.207 . 0 0 "[ . 1 . 2]" 1
229 1 18 LEU MD1 1 19 LEU H . . 5.020 3.625 3.403 3.822 . 0 0 "[ . 1 . 2]" 1
230 1 18 LEU MD1 1 102 GLU H . . 4.050 2.209 2.045 2.336 . 0 0 "[ . 1 . 2]" 1
231 1 18 LEU MD1 1 102 GLU HB2 . . 4.110 2.685 2.607 2.741 . 0 0 "[ . 1 . 2]" 1
232 1 18 LEU MD1 1 102 GLU HB3 . . 4.220 4.144 4.027 4.205 . 0 0 "[ . 1 . 2]" 1
233 1 18 LEU MD1 1 102 GLU HG2 . . 5.480 4.917 3.846 5.146 . 0 0 "[ . 1 . 2]" 1
234 1 18 LEU MD1 1 102 GLU HG3 . . 5.480 4.159 3.963 4.657 . 0 0 "[ . 1 . 2]" 1
235 1 18 LEU MD2 1 19 LEU H . . 5.020 4.478 4.424 4.596 . 0 0 "[ . 1 . 2]" 1
236 1 18 LEU MD2 1 102 GLU H . . 4.050 3.540 3.462 3.700 . 0 0 "[ . 1 . 2]" 1
237 1 18 LEU MD2 1 102 GLU HB2 . . 4.110 2.446 2.326 2.557 . 0 0 "[ . 1 . 2]" 1
238 1 18 LEU MD2 1 102 GLU HB3 . . 4.220 3.819 3.721 3.874 . 0 0 "[ . 1 . 2]" 1
239 1 18 LEU MD2 1 102 GLU HG2 . . 5.480 4.331 2.960 4.670 . 0 0 "[ . 1 . 2]" 1
240 1 18 LEU MD2 1 102 GLU HG3 . . 5.480 3.244 2.785 3.446 . 0 0 "[ . 1 . 2]" 1
241 1 18 LEU HG 1 19 LEU H . . 4.800 3.652 3.438 3.790 . 0 0 "[ . 1 . 2]" 1
242 1 18 LEU HG 1 127 MET HB2 . . 4.630 3.491 3.115 3.943 . 0 0 "[ . 1 . 2]" 1
243 1 18 LEU HG 1 127 MET HB3 . . 4.630 4.465 4.220 4.563 . 0 0 "[ . 1 . 2]" 1
244 1 19 LEU H 1 19 LEU HB2 . . 3.890 2.623 2.453 3.206 . 0 0 "[ . 1 . 2]" 1
245 1 19 LEU H 1 19 LEU QD . . 4.140 3.592 3.342 3.675 . 0 0 "[ . 1 . 2]" 1
246 1 19 LEU H 1 20 HIS H . . 4.880 4.445 4.380 4.505 . 0 0 "[ . 1 . 2]" 1
247 1 19 LEU H 1 46 VAL QG . . 4.430 4.255 4.010 4.324 . 0 0 "[ . 1 . 2]" 1
248 1 19 LEU H 1 51 VAL QG . . 4.670 3.319 2.821 3.578 . 0 0 "[ . 1 . 2]" 1
249 1 19 LEU H 1 100 ALA MB . . 3.910 2.701 2.517 3.051 . 0 0 "[ . 1 . 2]" 1
250 1 19 LEU H 1 127 MET ME . . 3.660 2.594 2.083 2.916 . 0 0 "[ . 1 . 2]" 1
251 1 19 LEU HA 1 19 LEU QD . . 3.160 1.885 1.778 1.976 . 0 0 "[ . 1 . 2]" 1
252 1 19 LEU HA 1 20 HIS H . . 3.190 2.210 2.184 2.249 . 0 0 "[ . 1 . 2]" 1
253 1 19 LEU HA 1 44 THR H . . 5.040 4.858 3.745 5.020 . 0 0 "[ . 1 . 2]" 1
254 1 19 LEU HA 1 45 ASN HA . . 4.080 2.393 2.144 2.991 . 0 0 "[ . 1 . 2]" 1
255 1 19 LEU HA 1 46 VAL H . . 3.880 2.978 1.972 3.368 . 0 0 "[ . 1 . 2]" 1
256 1 19 LEU HA 1 46 VAL QG . . 3.640 3.301 2.902 3.562 . 0 0 "[ . 1 . 2]" 1
257 1 19 LEU HB2 1 20 HIS H . . 4.720 4.419 4.093 4.511 . 0 0 "[ . 1 . 2]" 1
258 1 19 LEU HB2 1 100 ALA MB . . 4.520 2.154 1.949 3.149 . 0 0 "[ . 1 . 2]" 1
259 1 19 LEU HB2 1 127 MET ME . . 3.740 3.612 2.903 4.233 0.493 13 0 "[ . 1 . 2]" 1
260 1 19 LEU HB3 1 20 HIS H . . 4.580 3.961 3.747 4.460 . 0 0 "[ . 1 . 2]" 1
261 1 19 LEU HB3 1 21 ILE MD . . 4.820 3.550 3.127 4.850 0.030 13 0 "[ . 1 . 2]" 1
262 1 19 LEU HB3 1 43 LEU QD . . 4.900 3.662 3.368 4.374 . 0 0 "[ . 1 . 2]" 1
263 1 19 LEU HB3 1 44 THR H . . 5.500 5.731 5.072 6.237 0.737 11 2 "[ . 1+ - . 2]" 1
264 1 19 LEU HB3 1 51 VAL QG . . 4.140 3.176 1.845 3.554 . 0 0 "[ . 1 . 2]" 1
265 1 19 LEU HB3 1 100 ALA MB . . 3.890 1.950 1.855 2.200 . 0 0 "[ . 1 . 2]" 1
266 1 19 LEU HB3 1 127 MET ME . . 3.610 2.738 2.036 3.000 . 0 0 "[ . 1 . 2]" 1
267 1 19 LEU QD 1 20 HIS H . . 3.760 1.842 1.738 2.024 . 0 0 "[ . 1 . 2]" 1
268 1 19 LEU QD 1 20 HIS HA . . 4.770 3.715 3.217 3.921 . 0 0 "[ . 1 . 2]" 1
269 1 19 LEU QD 1 43 LEU HA . . 4.500 2.605 2.121 2.910 . 0 0 "[ . 1 . 2]" 1
270 1 19 LEU QD 1 43 LEU HB2 . . 3.790 2.671 1.930 2.987 . 0 0 "[ . 1 . 2]" 1
271 1 19 LEU QD 1 43 LEU HB3 . . 3.440 1.851 1.746 2.070 . 0 0 "[ . 1 . 2]" 1
272 1 19 LEU QD 1 43 LEU QD . . 4.030 2.666 1.647 3.061 . 0 0 "[ . 1 . 2]" 1
273 1 19 LEU QD 1 44 THR H . . 3.940 2.586 2.005 2.739 . 0 0 "[ . 1 . 2]" 1
274 1 19 LEU QD 1 45 ASN H . . 4.280 2.754 2.597 3.025 . 0 0 "[ . 1 . 2]" 1
275 1 19 LEU QD 1 45 ASN HA . . 3.070 1.947 1.695 2.287 . 0 0 "[ . 1 . 2]" 1
276 1 19 LEU QD 1 45 ASN HB2 . . 3.910 2.282 1.943 3.305 . 0 0 "[ . 1 . 2]" 1
277 1 19 LEU QD 1 45 ASN HB3 . . 4.330 3.482 3.199 4.256 . 0 0 "[ . 1 . 2]" 1
278 1 19 LEU QD 1 46 VAL H . . 3.610 3.338 2.333 3.529 . 0 0 "[ . 1 . 2]" 1
279 1 19 LEU QD 1 47 THR H . . 5.170 4.442 4.195 5.001 . 0 0 "[ . 1 . 2]" 1
280 1 19 LEU QD 1 51 VAL H . . 5.440 3.815 3.429 5.285 . 0 0 "[ . 1 . 2]" 1
281 1 19 LEU QD 1 51 VAL HB . . 5.440 2.048 1.813 3.560 . 0 0 "[ . 1 . 2]" 1
282 1 19 LEU QD 1 51 VAL QG . . 3.100 1.920 1.718 2.758 . 0 0 "[ . 1 . 2]" 1
283 1 19 LEU QD 1 53 PHE HB3 . . 4.610 3.047 2.433 3.364 . 0 0 "[ . 1 . 2]" 1
284 1 19 LEU QD 1 72 CYS QB . . 4.740 2.141 1.872 3.040 . 0 0 "[ . 1 . 2]" 1
285 1 19 LEU QD 1 127 MET ME . . 4.430 3.786 2.295 4.151 . 0 0 "[ . 1 . 2]" 1
286 1 19 LEU HG 1 20 HIS H . . 4.990 4.367 4.190 4.606 . 0 0 "[ . 1 . 2]" 1
287 1 19 LEU HG 1 43 LEU HA . . 4.930 4.482 4.248 4.635 . 0 0 "[ . 1 . 2]" 1
288 1 19 LEU HG 1 43 LEU HB2 . . 4.940 3.618 2.440 3.845 . 0 0 "[ . 1 . 2]" 1
289 1 19 LEU HG 1 43 LEU HB3 . . 3.770 2.376 1.929 2.504 . 0 0 "[ . 1 . 2]" 1
290 1 19 LEU HG 1 43 LEU QD . . 3.400 2.946 2.876 3.328 . 0 0 "[ . 1 . 2]" 1
291 1 19 LEU HG 1 44 THR H . . 5.050 5.177 4.308 5.329 0.279 5 0 "[ . 1 . 2]" 1
292 1 19 LEU HG 1 51 VAL HB . . 4.570 4.316 3.118 4.713 0.143 14 0 "[ . 1 . 2]" 1
293 1 19 LEU HG 1 51 VAL QG . . 3.630 3.151 2.297 3.502 . 0 0 "[ . 1 . 2]" 1
294 1 19 LEU HG 1 53 PHE HA . . 5.500 5.082 4.674 5.636 0.136 13 0 "[ . 1 . 2]" 1
295 1 19 LEU HG 1 53 PHE HB2 . . 4.730 3.924 3.549 4.681 . 0 0 "[ . 1 . 2]" 1
296 1 19 LEU HG 1 53 PHE HB3 . . 4.440 3.035 2.818 3.456 . 0 0 "[ . 1 . 2]" 1
297 1 19 LEU HG 1 53 PHE QD . . 5.070 4.151 3.652 4.480 . 0 0 "[ . 1 . 2]" 1
298 1 19 LEU HG 1 100 ALA MB . . 3.690 2.908 2.804 3.025 . 0 0 "[ . 1 . 2]" 1
299 1 19 LEU HG 1 127 MET ME . . 4.980 4.565 3.995 4.844 . 0 0 "[ . 1 . 2]" 1
300 1 20 HIS H 1 20 HIS HB2 . . 3.850 2.200 2.144 2.319 . 0 0 "[ . 1 . 2]" 1
301 1 20 HIS H 1 20 HIS HB3 . . 3.950 3.479 3.435 3.539 . 0 0 "[ . 1 . 2]" 1
302 1 20 HIS H 1 44 THR H . . 3.710 2.990 2.062 3.366 . 0 0 "[ . 1 . 2]" 1
303 1 20 HIS H 1 44 THR HB . . 4.040 3.762 3.165 3.911 . 0 0 "[ . 1 . 2]" 1
304 1 20 HIS H 1 44 THR MG . . 4.870 3.859 3.428 4.492 . 0 0 "[ . 1 . 2]" 1
305 1 20 HIS H 1 45 ASN HA . . 4.320 3.263 3.065 3.978 . 0 0 "[ . 1 . 2]" 1
306 1 20 HIS H 1 46 VAL H . . 5.370 3.575 2.977 3.905 . 0 0 "[ . 1 . 2]" 1
307 1 20 HIS H 1 46 VAL QG . . 3.700 3.207 2.739 3.503 . 0 0 "[ . 1 . 2]" 1
308 1 20 HIS HA 1 20 HIS HD2 . . 3.820 2.482 2.419 2.564 . 0 0 "[ . 1 . 2]" 1
309 1 20 HIS HA 1 21 ILE H . . 3.220 2.333 2.186 2.429 . 0 0 "[ . 1 . 2]" 1
310 1 20 HIS HA 1 21 ILE HB . . 5.100 4.695 4.513 4.781 . 0 0 "[ . 1 . 2]" 1
311 1 20 HIS HA 1 21 ILE MD . . 5.370 4.510 4.137 5.205 . 0 0 "[ . 1 . 2]" 1
312 1 20 HIS HA 1 21 ILE QG . . 4.750 3.154 2.964 3.718 . 0 0 "[ . 1 . 2]" 1
313 1 20 HIS HA 1 46 VAL QG . . 5.300 4.020 3.823 4.376 . 0 0 "[ . 1 . 2]" 1
314 1 20 HIS HB2 1 21 ILE H . . 4.380 4.165 3.848 4.526 0.146 8 0 "[ . 1 . 2]" 1
315 1 20 HIS HB2 1 44 THR H . . 4.550 2.355 1.956 3.163 . 0 0 "[ . 1 . 2]" 1
316 1 20 HIS HB2 1 44 THR HB . . 3.560 2.008 1.956 2.321 . 0 0 "[ . 1 . 2]" 1
317 1 20 HIS HB2 1 44 THR MG . . 4.320 2.730 2.070 3.718 . 0 0 "[ . 1 . 2]" 1
318 1 20 HIS HB2 1 46 VAL QG . . 4.500 3.165 2.541 3.734 . 0 0 "[ . 1 . 2]" 1
319 1 20 HIS HB3 1 21 ILE H . . 4.690 2.972 2.591 3.594 . 0 0 "[ . 1 . 2]" 1
320 1 20 HIS HB3 1 44 THR H . . 4.580 3.161 2.790 3.788 . 0 0 "[ . 1 . 2]" 1
321 1 20 HIS HB3 1 44 THR HB . . 4.240 2.797 2.537 3.418 . 0 0 "[ . 1 . 2]" 1
322 1 20 HIS HD2 1 21 ILE H . . 5.130 4.674 4.589 4.747 . 0 0 "[ . 1 . 2]" 1
323 1 20 HIS HD2 1 46 VAL QG . . 3.410 2.461 2.245 2.751 . 0 0 "[ . 1 . 2]" 1
324 1 20 HIS HE1 1 46 VAL QG . . 4.100 2.774 2.277 3.180 . 0 0 "[ . 1 . 2]" 1
325 1 21 ILE H 1 21 ILE HB . . 3.610 2.683 2.387 2.803 . 0 0 "[ . 1 . 2]" 1
326 1 21 ILE H 1 21 ILE MD . . 4.170 3.880 3.576 4.060 . 0 0 "[ . 1 . 2]" 1
327 1 21 ILE H 1 21 ILE QG . . 4.610 2.458 2.217 2.579 . 0 0 "[ . 1 . 2]" 1
328 1 21 ILE H 1 21 ILE MG . . 3.950 3.858 3.725 3.913 . 0 0 "[ . 1 . 2]" 1
329 1 21 ILE H 1 22 SER H . . 4.430 4.424 4.257 4.584 0.154 11 0 "[ . 1 . 2]" 1
330 1 21 ILE H 1 127 MET ME . . 5.420 4.382 3.588 4.832 . 0 0 "[ . 1 . 2]" 1
331 1 21 ILE HA 1 21 ILE MD . . 4.090 2.646 2.387 3.885 . 0 0 "[ . 1 . 2]" 1
332 1 21 ILE HA 1 21 ILE MG . . 3.330 2.224 2.157 2.502 . 0 0 "[ . 1 . 2]" 1
333 1 21 ILE HA 1 22 SER H . . 3.020 2.246 2.180 2.433 . 0 0 "[ . 1 . 2]" 1
334 1 21 ILE HA 1 22 SER QB . . 4.950 4.099 3.818 4.764 . 0 0 "[ . 1 . 2]" 1
335 1 21 ILE HA 1 41 ILE MG . . 4.270 3.547 3.381 3.757 . 0 0 "[ . 1 . 2]" 1
336 1 21 ILE HA 1 43 LEU HA . . 3.790 2.987 2.492 3.105 . 0 0 "[ . 1 . 2]" 1
337 1 21 ILE HA 1 43 LEU QD . . 3.760 2.036 1.867 2.245 . 0 0 "[ . 1 . 2]" 1
338 1 21 ILE HA 1 43 LEU HG . . 5.500 4.367 4.136 4.663 . 0 0 "[ . 1 . 2]" 1
339 1 21 ILE HB 1 21 ILE MD . . 3.720 3.047 2.253 3.185 . 0 0 "[ . 1 . 2]" 1
340 1 21 ILE HB 1 22 SER H . . 4.640 4.035 3.640 4.234 . 0 0 "[ . 1 . 2]" 1
341 1 21 ILE HB 1 129 HIS HD2 . . 4.640 2.989 2.255 3.810 . 0 0 "[ . 1 . 2]" 1
342 1 21 ILE MD 1 21 ILE MG . . 2.810 1.825 1.777 1.928 . 0 0 "[ . 1 . 2]" 1
343 1 21 ILE MD 1 22 SER H . . 5.500 4.076 3.825 4.708 . 0 0 "[ . 1 . 2]" 1
344 1 21 ILE MD 1 43 LEU QD . . 3.530 1.916 1.699 3.078 . 0 0 "[ . 1 . 2]" 1
345 1 21 ILE MD 1 98 ILE HB . . 3.930 2.389 1.941 2.935 . 0 0 "[ . 1 . 2]" 1
346 1 21 ILE MD 1 98 ILE MD . . 2.970 2.907 2.678 2.975 0.005 8 0 "[ . 1 . 2]" 1
347 1 21 ILE MD 1 98 ILE HG13 . . 5.230 4.458 4.249 4.687 . 0 0 "[ . 1 . 2]" 1
348 1 21 ILE MD 1 100 ALA MB . . 3.910 3.062 2.588 3.650 . 0 0 "[ . 1 . 2]" 1
349 1 21 ILE MD 1 127 MET ME . . 2.790 2.383 2.047 2.724 . 0 0 "[ . 1 . 2]" 1
350 1 21 ILE MD 1 129 HIS H . . 4.790 3.956 3.161 4.524 . 0 0 "[ . 1 . 2]" 1
351 1 21 ILE MD 1 129 HIS HB2 . . 3.670 3.094 1.964 3.519 . 0 0 "[ . 1 . 2]" 1
352 1 21 ILE MD 1 129 HIS HB3 . . 3.620 2.310 1.816 2.978 . 0 0 "[ . 1 . 2]" 1
353 1 21 ILE MD 1 129 HIS HD2 . . 3.620 3.239 2.055 3.578 . 0 0 "[ . 1 . 2]" 1
354 1 21 ILE QG 1 22 SER H . . 5.150 4.585 3.990 4.749 . 0 0 "[ . 1 . 2]" 1
355 1 21 ILE QG 1 41 ILE MG . . 4.430 4.846 3.982 5.125 0.695 7 13 "[*****-+ *1 * .** **]" 1
356 1 21 ILE QG 1 43 LEU HA . . 5.350 4.600 3.536 4.847 . 0 0 "[ . 1 . 2]" 1
357 1 21 ILE QG 1 43 LEU QD . . 3.600 3.081 1.762 3.493 . 0 0 "[ . 1 . 2]" 1
358 1 21 ILE QG 1 127 MET ME . . 3.700 2.344 1.826 2.654 . 0 0 "[ . 1 . 2]" 1
359 1 21 ILE MG 1 22 SER H . . 3.450 2.440 1.883 2.848 . 0 0 "[ . 1 . 2]" 1
360 1 21 ILE MG 1 22 SER QB . . 5.280 4.439 4.037 4.885 . 0 0 "[ . 1 . 2]" 1
361 1 21 ILE MG 1 41 ILE MG . . 3.070 2.445 1.987 2.686 . 0 0 "[ . 1 . 2]" 1
362 1 21 ILE MG 1 42 VAL H . . 4.870 4.375 3.557 4.536 . 0 0 "[ . 1 . 2]" 1
363 1 21 ILE MG 1 43 LEU HA . . 5.130 4.487 4.042 4.680 . 0 0 "[ . 1 . 2]" 1
364 1 21 ILE MG 1 43 LEU QD . . 2.980 2.428 2.015 2.604 . 0 0 "[ . 1 . 2]" 1
365 1 21 ILE MG 1 98 ILE HG13 . . 4.600 4.516 4.364 4.759 0.159 13 0 "[ . 1 . 2]" 1
366 1 21 ILE MG 1 129 HIS HD2 . . 3.580 1.962 1.834 2.884 . 0 0 "[ . 1 . 2]" 1
367 1 21 ILE MG 1 131 LEU QD . . 3.250 2.134 1.920 2.389 . 0 0 "[ . 1 . 2]" 1
368 1 22 SER H 1 22 SER QB . . 3.770 2.797 2.590 3.108 . 0 0 "[ . 1 . 2]" 1
369 1 22 SER H 1 41 ILE HA . . 4.540 4.320 4.124 4.451 . 0 0 "[ . 1 . 2]" 1
370 1 22 SER H 1 41 ILE MG . . 4.230 2.431 2.168 2.727 . 0 0 "[ . 1 . 2]" 1
371 1 22 SER H 1 42 VAL H . . 3.910 2.788 2.439 3.084 . 0 0 "[ . 1 . 2]" 1
372 1 22 SER H 1 42 VAL HB . . 4.360 4.042 3.686 4.303 . 0 0 "[ . 1 . 2]" 1
373 1 22 SER H 1 42 VAL QG . . 5.160 4.201 4.023 4.322 . 0 0 "[ . 1 . 2]" 1
374 1 22 SER H 1 43 LEU QD . . 4.190 3.034 2.544 3.305 . 0 0 "[ . 1 . 2]" 1
375 1 22 SER HA 1 23 PRO HA . . 3.350 1.830 1.738 1.993 . 0 0 "[ . 1 . 2]" 1
376 1 22 SER HA 1 23 PRO HB3 . . 5.290 4.106 4.022 4.252 . 0 0 "[ . 1 . 2]" 1
377 1 22 SER HA 1 24 ALA H . . 3.910 3.603 3.175 3.824 . 0 0 "[ . 1 . 2]" 1
378 1 22 SER HA 1 24 ALA MB . . 4.870 4.509 4.365 4.633 . 0 0 "[ . 1 . 2]" 1
379 1 22 SER HA 1 131 LEU QD . . 5.440 4.267 3.901 4.573 . 0 0 "[ . 1 . 2]" 1
380 1 22 SER QB 1 23 PRO HA . . 4.000 3.209 2.524 3.550 . 0 0 "[ . 1 . 2]" 1
381 1 22 SER QB 1 41 ILE HA . . 5.500 4.191 4.028 4.351 . 0 0 "[ . 1 . 2]" 1
382 1 22 SER QB 1 41 ILE MG . . 5.290 3.833 3.600 4.144 . 0 0 "[ . 1 . 2]" 1
383 1 22 SER QB 1 42 VAL H . . 4.370 2.591 2.430 2.840 . 0 0 "[ . 1 . 2]" 1
384 1 22 SER QB 1 42 VAL HB . . 3.540 2.035 1.922 2.276 . 0 0 "[ . 1 . 2]" 1
385 1 22 SER QB 1 42 VAL MG1 . . 4.150 3.553 3.448 3.700 . 0 0 "[ . 1 . 2]" 1
386 1 22 SER QB 1 42 VAL QG . . 4.550 2.463 2.414 2.675 . 0 0 "[ . 1 . 2]" 1
387 1 22 SER QB 1 42 VAL MG2 . . 4.150 2.513 2.455 2.787 . 0 0 "[ . 1 . 2]" 1
388 1 23 PRO HA 1 24 ALA H . . 3.400 2.675 2.441 2.799 . 0 0 "[ . 1 . 2]" 1
389 1 23 PRO HA 1 24 ALA MB . . 4.570 4.195 4.123 4.243 . 0 0 "[ . 1 . 2]" 1
390 1 23 PRO HB2 1 24 ALA H . . 3.690 2.173 1.916 2.698 . 0 0 "[ . 1 . 2]" 1
391 1 23 PRO HB2 1 25 GLU H . . 4.620 4.084 3.307 4.566 . 0 0 "[ . 1 . 2]" 1
392 1 23 PRO HB2 1 26 GLU H . . 4.850 3.346 2.990 3.734 . 0 0 "[ . 1 . 2]" 1
393 1 23 PRO HB2 1 27 LEU QD . . 4.810 4.600 4.340 4.712 . 0 0 "[ . 1 . 2]" 1
394 1 23 PRO HB2 1 131 LEU QD . . 4.570 3.566 3.208 3.743 . 0 0 "[ . 1 . 2]" 1
395 1 23 PRO HB3 1 24 ALA H . . 4.110 3.177 3.093 3.392 . 0 0 "[ . 1 . 2]" 1
396 1 23 PRO HB3 1 131 LEU QD . . 4.930 4.573 4.175 4.725 . 0 0 "[ . 1 . 2]" 1
397 1 23 PRO HD2 1 27 LEU QD . . 3.750 2.291 1.968 2.616 . 0 0 "[ . 1 . 2]" 1
398 1 23 PRO HD2 1 41 ILE HA . . 4.080 3.613 3.317 3.779 . 0 0 "[ . 1 . 2]" 1
399 1 23 PRO HD2 1 41 ILE HG12 . . 5.170 2.892 2.342 3.341 . 0 0 "[ . 1 . 2]" 1
400 1 23 PRO HD2 1 41 ILE QG . . 4.470 2.837 2.286 3.296 . 0 0 "[ . 1 . 2]" 1
401 1 23 PRO HD2 1 41 ILE HG13 . . 5.170 4.182 3.197 5.039 . 0 0 "[ . 1 . 2]" 1
402 1 23 PRO HD2 1 41 ILE MG . . 3.990 3.553 2.994 3.914 . 0 0 "[ . 1 . 2]" 1
403 1 23 PRO HD2 1 131 LEU MD1 . . 4.210 2.842 2.313 3.048 . 0 0 "[ . 1 . 2]" 1
404 1 23 PRO HD2 1 131 LEU MD2 . . 4.210 2.912 2.414 3.304 . 0 0 "[ . 1 . 2]" 1
405 1 23 PRO HD3 1 27 LEU QD . . 3.930 3.032 2.565 3.392 . 0 0 "[ . 1 . 2]" 1
406 1 23 PRO HD3 1 41 ILE HA . . 4.480 3.174 2.930 3.474 . 0 0 "[ . 1 . 2]" 1
407 1 23 PRO HD3 1 41 ILE MG . . 5.360 4.112 3.676 4.345 . 0 0 "[ . 1 . 2]" 1
408 1 23 PRO HD3 1 42 VAL H . . 5.370 4.275 3.948 4.576 . 0 0 "[ . 1 . 2]" 1
409 1 23 PRO HD3 1 131 LEU MD1 . . 5.500 4.315 3.747 4.526 . 0 0 "[ . 1 . 2]" 1
410 1 23 PRO HD3 1 131 LEU QD . . 4.720 3.854 3.561 4.068 . 0 0 "[ . 1 . 2]" 1
411 1 23 PRO HD3 1 131 LEU MD2 . . 5.500 4.367 3.967 4.762 . 0 0 "[ . 1 . 2]" 1
412 1 23 PRO QG 1 27 LEU H . . 4.870 4.498 4.179 4.778 . 0 0 "[ . 1 . 2]" 1
413 1 23 PRO QG 1 27 LEU HA . . 3.650 2.989 2.444 3.288 . 0 0 "[ . 1 . 2]" 1
414 1 23 PRO QG 1 27 LEU QD . . 3.290 2.604 2.458 2.715 . 0 0 "[ . 1 . 2]" 1
415 1 23 PRO QG 1 131 LEU QD . . 3.320 2.640 2.010 2.856 . 0 0 "[ . 1 . 2]" 1
416 1 23 PRO HG2 1 27 LEU HA . . 4.220 3.164 2.573 3.504 . 0 0 "[ . 1 . 2]" 1
417 1 23 PRO HG3 1 27 LEU HA . . 4.220 3.685 3.048 4.031 . 0 0 "[ . 1 . 2]" 1
418 1 24 ALA H 1 24 ALA MB . . 3.130 2.003 1.939 2.107 . 0 0 "[ . 1 . 2]" 1
419 1 24 ALA H 1 25 GLU H . . 4.000 3.312 2.920 3.584 . 0 0 "[ . 1 . 2]" 1
420 1 24 ALA H 1 131 LEU QD . . 4.600 4.059 3.734 4.279 . 0 0 "[ . 1 . 2]" 1
421 1 24 ALA HA 1 131 LEU QD . . 4.710 3.794 3.432 4.006 . 0 0 "[ . 1 . 2]" 1
422 1 24 ALA MB 1 25 GLU H . . 3.770 1.891 1.815 2.174 . 0 0 "[ . 1 . 2]" 1
423 1 24 ALA MB 1 25 GLU HB2 . . 4.720 4.063 3.128 4.695 . 0 0 "[ . 1 . 2]" 1
424 1 24 ALA MB 1 25 GLU QB . . 4.100 3.455 3.075 3.816 . 0 0 "[ . 1 . 2]" 1
425 1 24 ALA MB 1 25 GLU HB3 . . 4.720 4.132 3.502 4.633 . 0 0 "[ . 1 . 2]" 1
426 1 24 ALA MB 1 25 GLU QG . . 3.770 2.879 2.088 3.605 . 0 0 "[ . 1 . 2]" 1
427 1 24 ALA MB 1 26 GLU QG . . 5.500 3.687 3.273 4.178 . 0 0 "[ . 1 . 2]" 1
428 1 24 ALA MB 1 131 LEU QD . . 4.930 4.041 3.916 4.119 . 0 0 "[ . 1 . 2]" 1
429 1 25 GLU H 1 25 GLU QG . . 4.460 2.563 1.828 3.590 . 0 0 "[ . 1 . 2]" 1
430 1 25 GLU H 1 26 GLU H . . 3.820 3.164 2.743 3.576 . 0 0 "[ . 1 . 2]" 1
431 1 25 GLU H 1 26 GLU QB . . 5.050 3.937 3.817 4.132 . 0 0 "[ . 1 . 2]" 1
432 1 25 GLU H 1 26 GLU QG . . 4.870 3.316 2.053 4.334 . 0 0 "[ . 1 . 2]" 1
433 1 25 GLU H 1 131 LEU QD . . 4.360 3.627 3.278 3.988 . 0 0 "[ . 1 . 2]" 1
434 1 25 GLU HA 1 25 GLU QG . . 3.840 2.844 2.036 3.374 . 0 0 "[ . 1 . 2]" 1
435 1 25 GLU HA 1 131 LEU QD . . 3.240 1.973 1.769 2.361 . 0 0 "[ . 1 . 2]" 1
436 1 25 GLU HA 1 132 ARG H . . 3.690 2.867 2.432 3.151 . 0 0 "[ . 1 . 2]" 1
437 1 25 GLU QB 1 26 GLU H . . 4.330 4.026 3.984 4.083 . 0 0 "[ . 1 . 2]" 1
438 1 25 GLU QB 1 132 ARG H . . 4.440 3.503 2.906 4.084 . 0 0 "[ . 1 . 2]" 1
439 1 25 GLU QG 1 131 LEU QD . . 4.830 3.878 2.969 4.520 . 0 0 "[ . 1 . 2]" 1
440 1 26 GLU H 1 26 GLU QB . . 3.910 3.249 3.044 3.344 . 0 0 "[ . 1 . 2]" 1
441 1 26 GLU H 1 26 GLU QG . . 4.200 2.487 2.290 2.777 . 0 0 "[ . 1 . 2]" 1
442 1 26 GLU H 1 27 LEU H . . 4.610 3.814 3.671 4.312 . 0 0 "[ . 1 . 2]" 1
443 1 26 GLU H 1 131 LEU QD . . 4.830 1.953 1.783 2.151 . 0 0 "[ . 1 . 2]" 1
444 1 26 GLU HA 1 26 GLU QG . . 3.890 3.278 2.647 3.409 . 0 0 "[ . 1 . 2]" 1
445 1 26 GLU HA 1 27 LEU H . . 3.050 2.248 2.219 2.391 . 0 0 "[ . 1 . 2]" 1
446 1 26 GLU HA 1 27 LEU QB . . 5.140 4.142 3.834 4.305 . 0 0 "[ . 1 . 2]" 1
447 1 26 GLU HA 1 131 LEU QD . . 4.670 3.532 3.329 3.718 . 0 0 "[ . 1 . 2]" 1
448 1 26 GLU HA 1 132 ARG H . . 3.960 3.590 3.352 3.733 . 0 0 "[ . 1 . 2]" 1
449 1 26 GLU HA 1 132 ARG HG2 . . 4.770 3.669 2.616 4.465 . 0 0 "[ . 1 . 2]" 1
450 1 26 GLU HA 1 132 ARG QG . . 4.150 2.426 1.988 4.009 . 0 0 "[ . 1 . 2]" 1
451 1 26 GLU HA 1 132 ARG HG3 . . 4.770 2.502 2.007 4.584 . 0 0 "[ . 1 . 2]" 1
452 1 26 GLU HA 1 134 HIS HB2 . . 5.500 3.577 2.824 4.092 . 0 0 "[ . 1 . 2]" 1
453 1 26 GLU QB 1 27 LEU H . . 3.880 3.487 2.712 3.660 . 0 0 "[ . 1 . 2]" 1
454 1 26 GLU QB 1 28 TYR QE . . 4.120 3.700 1.969 4.242 0.122 11 0 "[ . 1 . 2]" 1
455 1 26 GLU QB 1 134 HIS H . . 5.290 4.753 4.549 4.845 . 0 0 "[ . 1 . 2]" 1
456 1 26 GLU QB 1 134 HIS HB2 . . 4.320 2.966 2.214 3.423 . 0 0 "[ . 1 . 2]" 1
457 1 26 GLU QB 1 134 HIS HB3 . . 4.930 4.221 3.544 4.805 . 0 0 "[ . 1 . 2]" 1
458 1 26 GLU QG 1 27 LEU H . . 5.300 4.262 3.459 4.605 . 0 0 "[ . 1 . 2]" 1
459 1 26 GLU QG 1 28 TYR QE . . 4.740 4.039 1.960 5.136 0.396 14 0 "[ . 1 . 2]" 1
460 1 26 GLU QG 1 132 ARG HG2 . . 5.500 5.575 3.819 6.230 0.730 19 3 "[ *.- 1 . +2]" 1
461 1 26 GLU QG 1 132 ARG HG3 . . 5.500 5.018 3.712 6.375 0.875 6 1 "[ .+ 1 . 2]" 1
462 1 26 GLU QG 1 134 HIS HB2 . . 5.210 4.716 4.139 5.415 0.205 1 0 "[ . 1 . 2]" 1
463 1 27 LEU H 1 27 LEU HB2 . . 4.070 2.361 2.092 2.888 . 0 0 "[ . 1 . 2]" 1
464 1 27 LEU H 1 27 LEU QB . . 3.450 2.311 2.068 2.715 . 0 0 "[ . 1 . 2]" 1
465 1 27 LEU H 1 27 LEU HB3 . . 4.070 3.394 3.010 3.765 . 0 0 "[ . 1 . 2]" 1
466 1 27 LEU H 1 27 LEU MD1 . . 4.440 3.926 3.400 4.664 0.224 17 0 "[ . 1 . 2]" 1
467 1 27 LEU H 1 27 LEU QD . . 3.840 3.447 2.895 3.894 0.054 9 0 "[ . 1 . 2]" 1
468 1 27 LEU H 1 27 LEU MD2 . . 4.440 3.960 2.980 4.667 0.227 16 0 "[ . 1 . 2]" 1
469 1 27 LEU H 1 27 LEU HG . . 4.680 3.968 3.109 4.947 0.267 8 0 "[ . 1 . 2]" 1
470 1 27 LEU H 1 131 LEU QD . . 4.470 3.515 3.151 4.240 . 0 0 "[ . 1 . 2]" 1
471 1 27 LEU H 1 132 ARG H . . 4.390 3.957 3.545 4.715 0.325 9 0 "[ . 1 . 2]" 1
472 1 27 LEU H 1 133 CYS HA . . 3.890 2.494 2.002 3.193 . 0 0 "[ . 1 . 2]" 1
473 1 27 LEU H 1 134 HIS H . . 4.070 3.026 2.623 3.460 . 0 0 "[ . 1 . 2]" 1
474 1 27 LEU HA 1 27 LEU MD1 . . 4.450 2.926 1.764 3.848 . 0 0 "[ . 1 . 2]" 1
475 1 27 LEU HA 1 27 LEU QD . . 3.250 1.940 1.753 2.208 . 0 0 "[ . 1 . 2]" 1
476 1 27 LEU HA 1 27 LEU MD2 . . 4.450 2.640 1.888 3.770 . 0 0 "[ . 1 . 2]" 1
477 1 27 LEU HA 1 28 TYR H . . 3.150 2.216 2.177 2.285 . 0 0 "[ . 1 . 2]" 1
478 1 27 LEU HA 1 28 TYR QB . . 4.610 4.030 3.786 4.442 . 0 0 "[ . 1 . 2]" 1
479 1 27 LEU HA 1 28 TYR QD . . 4.590 4.224 2.760 5.014 0.424 11 0 "[ . 1 . 2]" 1
480 1 27 LEU QB 1 27 LEU QD . . 2.860 1.961 1.921 2.040 . 0 0 "[ . 1 . 2]" 1
481 1 27 LEU QB 1 28 TYR H . . 3.940 3.366 2.966 3.714 . 0 0 "[ . 1 . 2]" 1
482 1 27 LEU QB 1 29 PHE QE . . 4.240 2.302 1.971 3.552 . 0 0 "[ . 1 . 2]" 1
483 1 27 LEU QB 1 39 THR MG . . 5.340 3.035 2.378 3.614 . 0 0 "[ . 1 . 2]" 1
484 1 27 LEU QB 1 131 LEU QD . . 4.060 3.218 2.424 3.634 . 0 0 "[ . 1 . 2]" 1
485 1 27 LEU QB 1 133 CYS HA . . 3.750 2.131 1.966 2.434 . 0 0 "[ . 1 . 2]" 1
486 1 27 LEU HB2 1 28 TYR H . . 4.510 4.443 4.202 4.651 0.141 20 0 "[ . 1 . 2]" 1
487 1 27 LEU HB2 1 29 PHE QE . . 4.830 3.263 2.325 4.248 . 0 0 "[ . 1 . 2]" 1
488 1 27 LEU HB2 1 133 CYS HA . . 4.480 2.269 1.984 2.877 . 0 0 "[ . 1 . 2]" 1
489 1 27 LEU HB3 1 28 TYR H . . 4.510 3.495 3.032 3.922 . 0 0 "[ . 1 . 2]" 1
490 1 27 LEU HB3 1 29 PHE QE . . 4.830 2.384 1.989 3.809 . 0 0 "[ . 1 . 2]" 1
491 1 27 LEU HB3 1 133 CYS HA . . 4.480 2.954 2.296 3.551 . 0 0 "[ . 1 . 2]" 1
492 1 27 LEU QD 1 28 TYR H . . 3.800 2.829 1.994 3.543 . 0 0 "[ . 1 . 2]" 1
493 1 27 LEU QD 1 29 PHE QE . . 4.160 2.756 1.943 3.557 . 0 0 "[ . 1 . 2]" 1
494 1 27 LEU QD 1 29 PHE HZ . . 4.070 2.896 1.949 3.709 . 0 0 "[ . 1 . 2]" 1
495 1 27 LEU QD 1 39 THR MG . . 3.310 1.857 1.707 2.152 . 0 0 "[ . 1 . 2]" 1
496 1 27 LEU QD 1 41 ILE HA . . 4.620 4.037 3.615 4.217 . 0 0 "[ . 1 . 2]" 1
497 1 27 LEU QD 1 41 ILE MD . . 3.860 2.418 1.915 2.784 . 0 0 "[ . 1 . 2]" 1
498 1 27 LEU QD 1 41 ILE QG . . 3.040 2.374 1.974 2.593 . 0 0 "[ . 1 . 2]" 1
499 1 27 LEU QD 1 41 ILE MG . . 5.440 3.815 3.470 4.097 . 0 0 "[ . 1 . 2]" 1
500 1 27 LEU QD 1 82 VAL QG . . 4.050 2.755 1.998 3.164 . 0 0 "[ . 1 . 2]" 1
501 1 27 LEU QD 1 96 PHE HB2 . . 4.550 2.931 2.629 3.507 . 0 0 "[ . 1 . 2]" 1
502 1 27 LEU QD 1 96 PHE HB3 . . 4.870 3.522 3.182 3.886 . 0 0 "[ . 1 . 2]" 1
503 1 27 LEU QD 1 96 PHE QD . . 3.950 2.459 1.923 3.130 . 0 0 "[ . 1 . 2]" 1
504 1 27 LEU QD 1 96 PHE QE . . 4.450 3.093 2.349 4.190 . 0 0 "[ . 1 . 2]" 1
505 1 27 LEU QD 1 131 LEU QB . . 3.940 2.177 1.802 2.692 . 0 0 "[ . 1 . 2]" 1
506 1 27 LEU QD 1 131 LEU QD . . 2.860 2.072 1.588 2.532 . 0 0 "[ . 1 . 2]" 1
507 1 27 LEU QD 1 133 CYS HA . . 4.590 3.683 3.446 3.890 . 0 0 "[ . 1 . 2]" 1
508 1 27 LEU MD1 1 28 TYR H . . 4.990 3.992 1.997 4.990 . 0 0 "[ . 1 . 2]" 1
509 1 27 LEU MD1 1 29 PHE QE . . 4.830 3.300 2.177 4.483 . 0 0 "[ . 1 . 2]" 1
510 1 27 LEU MD1 1 29 PHE HZ . . 5.110 3.635 2.479 4.722 . 0 0 "[ . 1 . 2]" 1
511 1 27 LEU MD1 1 41 ILE HG12 . . 5.020 3.255 2.311 3.705 . 0 0 "[ . 1 . 2]" 1
512 1 27 LEU MD1 1 41 ILE HG13 . . 5.020 3.568 2.508 4.434 . 0 0 "[ . 1 . 2]" 1
513 1 27 LEU MD1 1 82 VAL QG . . 4.930 3.262 2.642 3.826 . 0 0 "[ . 1 . 2]" 1
514 1 27 LEU MD1 1 96 PHE HB2 . . 5.360 3.857 2.637 5.741 0.381 19 0 "[ . 1 . 2]" 1
515 1 27 LEU MD1 1 96 PHE QD . . 5.380 3.414 1.934 5.263 . 0 0 "[ . 1 . 2]" 1
516 1 27 LEU MD1 1 131 LEU MD1 . . 4.330 2.886 1.863 3.808 . 0 0 "[ . 1 . 2]" 1
517 1 27 LEU MD1 1 131 LEU MD2 . . 4.330 2.983 1.805 3.687 . 0 0 "[ . 1 . 2]" 1
518 1 27 LEU MD2 1 28 TYR H . . 4.990 3.698 2.540 4.900 . 0 0 "[ . 1 . 2]" 1
519 1 27 LEU MD2 1 29 PHE QE . . 4.830 3.576 1.947 4.493 . 0 0 "[ . 1 . 2]" 1
520 1 27 LEU MD2 1 29 PHE HZ . . 5.110 3.809 1.951 4.689 . 0 0 "[ . 1 . 2]" 1
521 1 27 LEU MD2 1 41 ILE HG12 . . 5.020 3.003 2.068 3.739 . 0 0 "[ . 1 . 2]" 1
522 1 27 LEU MD2 1 41 ILE HG13 . . 5.020 3.345 2.474 4.218 . 0 0 "[ . 1 . 2]" 1
523 1 27 LEU MD2 1 82 VAL QG . . 4.930 3.268 2.007 3.691 . 0 0 "[ . 1 . 2]" 1
524 1 27 LEU MD2 1 96 PHE HB2 . . 5.360 4.273 2.785 5.394 0.034 18 0 "[ . 1 . 2]" 1
525 1 27 LEU MD2 1 96 PHE QD . . 5.380 3.836 1.925 4.985 . 0 0 "[ . 1 . 2]" 1
526 1 27 LEU MD2 1 131 LEU MD1 . . 4.330 2.927 2.026 3.543 . 0 0 "[ . 1 . 2]" 1
527 1 27 LEU MD2 1 131 LEU MD2 . . 4.330 2.885 1.673 3.975 . 0 0 "[ . 1 . 2]" 1
528 1 27 LEU HG 1 39 THR MG . . 4.500 3.130 1.775 4.251 . 0 0 "[ . 1 . 2]" 1
529 1 27 LEU HG 1 131 LEU MD1 . . 5.310 3.651 1.831 5.182 . 0 0 "[ . 1 . 2]" 1
530 1 27 LEU HG 1 131 LEU QD . . 4.630 2.846 1.827 4.168 . 0 0 "[ . 1 . 2]" 1
531 1 27 LEU HG 1 131 LEU MD2 . . 5.310 3.507 1.842 5.982 0.672 8 1 "[ . + 1 . 2]" 1
532 1 27 LEU HG 1 133 CYS HA . . 5.270 4.539 4.203 4.982 . 0 0 "[ . 1 . 2]" 1
533 1 28 TYR H 1 28 TYR QB . . 3.420 2.290 2.083 2.513 . 0 0 "[ . 1 . 2]" 1
534 1 28 TYR H 1 28 TYR QD . . 4.160 3.287 1.891 4.022 . 0 0 "[ . 1 . 2]" 1
535 1 28 TYR H 1 39 THR MG . . 4.950 4.245 3.818 4.600 . 0 0 "[ . 1 . 2]" 1
536 1 28 TYR HA 1 28 TYR QD . . 4.360 2.545 2.119 3.270 . 0 0 "[ . 1 . 2]" 1
537 1 28 TYR HA 1 134 HIS H . . 4.470 3.481 3.041 3.831 . 0 0 "[ . 1 . 2]" 1
538 1 28 TYR HA 1 134 HIS HB2 . . 4.920 4.068 3.252 4.506 . 0 0 "[ . 1 . 2]" 1
539 1 28 TYR HA 1 134 HIS HB3 . . 3.890 3.742 2.629 4.490 0.600 11 5 "[ . -* 1+ . **2]" 1
540 1 28 TYR QD 1 29 PHE H . . 4.990 4.081 3.204 5.008 0.018 2 0 "[ . 1 . 2]" 1
541 1 28 TYR QD 1 134 HIS HB2 . . 4.780 4.042 3.610 4.394 . 0 0 "[ . 1 . 2]" 1
542 1 28 TYR QD 1 134 HIS HB3 . . 4.880 3.386 2.507 4.152 . 0 0 "[ . 1 . 2]" 1
543 1 28 TYR QD 1 136 VAL QG . . 4.790 5.652 2.169 8.549 3.759 2 10 "[ + -. ***1* *.** *2]" 1
544 1 28 TYR QE 1 134 HIS HB2 . . 5.200 3.929 3.379 4.361 . 0 0 "[ . 1 . 2]" 1
545 1 28 TYR QE 1 134 HIS HD2 . . 4.840 3.307 2.175 4.166 . 0 0 "[ . 1 . 2]" 1
546 1 28 TYR QE 1 136 VAL HA . . 5.500 7.377 3.513 11.079 5.579 2 17 "[ +*******1****-** **]" 1
547 1 28 TYR QE 1 136 VAL QG . . 4.530 5.310 2.070 8.999 4.469 2 11 "[ + *. -**1* *.** **]" 1
548 1 29 PHE H 1 29 PHE QD . . 4.280 2.295 1.934 3.039 . 0 0 "[ . 1 . 2]" 1
549 1 29 PHE HA 1 29 PHE QD . . 4.090 2.998 2.533 3.182 . 0 0 "[ . 1 . 2]" 1
550 1 29 PHE HA 1 39 THR HB . . 3.850 3.094 2.601 3.522 . 0 0 "[ . 1 . 2]" 1
551 1 29 PHE HA 1 39 THR MG . . 4.510 4.306 3.851 4.438 . 0 0 "[ . 1 . 2]" 1
552 1 29 PHE QB 1 30 GLY H . . 4.340 3.740 2.101 3.927 . 0 0 "[ . 1 . 2]" 1
553 1 29 PHE QB 1 38 LYS H . . 5.170 4.936 3.596 6.270 1.100 2 5 "[ +**. 1 * . -]" 1
554 1 29 PHE QB 1 90 VAL QG . . 3.630 2.280 1.886 2.968 . 0 0 "[ . 1 . 2]" 1
555 1 29 PHE HB2 1 30 GLY H . . 4.940 4.512 3.582 4.614 . 0 0 "[ . 1 . 2]" 1
556 1 29 PHE HB3 1 30 GLY H . . 4.940 4.014 2.115 4.446 . 0 0 "[ . 1 . 2]" 1
557 1 29 PHE QD 1 37 LYS HB2 . . 5.500 4.434 4.191 4.654 . 0 0 "[ . 1 . 2]" 1
558 1 29 PHE QD 1 37 LYS HB3 . . 5.500 4.261 3.502 4.709 . 0 0 "[ . 1 . 2]" 1
559 1 29 PHE QD 1 38 LYS HA . . 4.490 2.546 1.994 3.374 . 0 0 "[ . 1 . 2]" 1
560 1 29 PHE QD 1 38 LYS QB . . 5.340 4.250 3.565 4.963 . 0 0 "[ . 1 . 2]" 1
561 1 29 PHE QD 1 39 THR H . . 4.520 3.442 2.823 4.019 . 0 0 "[ . 1 . 2]" 1
562 1 29 PHE QD 1 39 THR HB . . 4.790 3.636 3.127 4.155 . 0 0 "[ . 1 . 2]" 1
563 1 29 PHE QD 1 39 THR MG . . 4.190 3.529 3.086 3.851 . 0 0 "[ . 1 . 2]" 1
564 1 29 PHE QD 1 82 VAL QG . . 5.200 4.168 3.901 4.420 . 0 0 "[ . 1 . 2]" 1
565 1 29 PHE QD 1 83 SER HA . . 4.910 3.703 2.844 4.232 . 0 0 "[ . 1 . 2]" 1
566 1 29 PHE QD 1 84 PRO HD2 . . 4.820 3.653 3.284 4.676 . 0 0 "[ . 1 . 2]" 1
567 1 29 PHE QD 1 84 PRO QD . . 4.170 2.492 1.988 3.546 . 0 0 "[ . 1 . 2]" 1
568 1 29 PHE QD 1 84 PRO HD3 . . 4.820 2.544 2.005 3.673 . 0 0 "[ . 1 . 2]" 1
569 1 29 PHE QD 1 84 PRO QG . . 4.920 3.038 2.210 4.284 . 0 0 "[ . 1 . 2]" 1
570 1 29 PHE QD 1 90 VAL MG1 . . 4.040 2.716 2.005 3.271 . 0 0 "[ . 1 . 2]" 1
571 1 29 PHE QD 1 90 VAL MG2 . . 4.040 2.706 2.069 3.404 . 0 0 "[ . 1 . 2]" 1
572 1 29 PHE QE 1 38 LYS HA . . 5.120 3.567 2.668 3.876 . 0 0 "[ . 1 . 2]" 1
573 1 29 PHE QE 1 39 THR H . . 4.610 3.215 1.952 3.833 . 0 0 "[ . 1 . 2]" 1
574 1 29 PHE QE 1 39 THR MG . . 3.830 2.547 2.129 3.034 . 0 0 "[ . 1 . 2]" 1
575 1 29 PHE QE 1 63 TYR QE . . 4.850 4.642 3.744 6.116 1.266 7 2 "[ . + 1 - . 2]" 1
576 1 29 PHE QE 1 82 VAL HB . . 4.730 3.637 3.236 4.131 . 0 0 "[ . 1 . 2]" 1
577 1 29 PHE QE 1 82 VAL QG . . 3.560 2.196 1.954 2.531 . 0 0 "[ . 1 . 2]" 1
578 1 29 PHE QE 1 83 SER HA . . 4.600 3.183 2.550 3.640 . 0 0 "[ . 1 . 2]" 1
579 1 29 PHE QE 1 84 PRO HD2 . . 4.570 4.234 3.883 4.455 . 0 0 "[ . 1 . 2]" 1
580 1 29 PHE QE 1 84 PRO QD . . 3.980 2.530 2.212 2.960 . 0 0 "[ . 1 . 2]" 1
581 1 29 PHE QE 1 84 PRO HD3 . . 4.570 2.551 2.225 3.008 . 0 0 "[ . 1 . 2]" 1
582 1 29 PHE QE 1 90 VAL MG1 . . 4.390 3.407 2.862 3.786 . 0 0 "[ . 1 . 2]" 1
583 1 29 PHE QE 1 90 VAL QG . . 3.730 2.795 1.995 3.186 . 0 0 "[ . 1 . 2]" 1
584 1 29 PHE QE 1 90 VAL MG2 . . 4.390 3.121 2.006 3.695 . 0 0 "[ . 1 . 2]" 1
585 1 29 PHE QE 1 133 CYS HA . . 4.700 3.604 2.749 4.563 . 0 0 "[ . 1 . 2]" 1
586 1 29 PHE QE 1 133 CYS QB . . 4.440 3.092 2.035 4.013 . 0 0 "[ . 1 . 2]" 1
587 1 29 PHE HZ 1 39 THR MG . . 4.130 2.685 2.294 3.223 . 0 0 "[ . 1 . 2]" 1
588 1 29 PHE HZ 1 63 TYR QE . . 4.680 4.936 3.722 6.400 1.720 7 6 "[ * .*+* 1 *-. 2]" 1
589 1 29 PHE HZ 1 82 VAL HB . . 4.930 3.822 3.385 4.160 . 0 0 "[ . 1 . 2]" 1
590 1 29 PHE HZ 1 82 VAL QG . . 3.450 2.155 1.761 2.453 . 0 0 "[ . 1 . 2]" 1
591 1 29 PHE HZ 1 90 VAL MG1 . . 4.890 4.275 3.116 4.769 . 0 0 "[ . 1 . 2]" 1
592 1 29 PHE HZ 1 90 VAL QG . . 4.070 3.589 3.075 4.138 0.068 19 0 "[ . 1 . 2]" 1
593 1 29 PHE HZ 1 90 VAL MG2 . . 4.890 4.098 3.153 4.747 . 0 0 "[ . 1 . 2]" 1
594 1 29 PHE HZ 1 96 PHE HZ . . 4.790 2.652 2.033 3.323 . 0 0 "[ . 1 . 2]" 1
595 1 30 GLY H 1 38 LYS H . . 4.700 4.094 2.590 4.927 0.227 1 0 "[ . 1 . 2]" 1
596 1 30 GLY H 1 39 THR HB . . 4.870 4.783 4.445 5.294 0.424 4 0 "[ . 1 . 2]" 1
597 1 30 GLY QA 1 38 LYS H . . 5.170 4.365 3.351 4.935 . 0 0 "[ . 1 . 2]" 1
598 1 31 SER QB 1 32 ILE H . . 3.830 3.082 2.459 3.739 . 0 0 "[ . 1 . 2]" 1
599 1 31 SER HB2 1 32 ILE H . . 4.420 4.057 3.752 4.322 . 0 0 "[ . 1 . 2]" 1
600 1 31 SER HB3 1 32 ILE H . . 4.420 3.232 2.493 4.093 . 0 0 "[ . 1 . 2]" 1
601 1 32 ILE H 1 32 ILE HB . . 3.970 2.755 2.147 3.636 . 0 0 "[ . 1 . 2]" 1
602 1 32 ILE H 1 32 ILE HG12 . . 4.820 3.878 1.936 4.615 . 0 0 "[ . 1 . 2]" 1
603 1 32 ILE H 1 32 ILE QG . . 4.160 2.816 1.927 3.900 . 0 0 "[ . 1 . 2]" 1
604 1 32 ILE H 1 32 ILE HG13 . . 4.820 3.064 2.001 4.276 . 0 0 "[ . 1 . 2]" 1
605 1 32 ILE H 1 32 ILE MG . . 4.310 3.506 2.401 4.036 . 0 0 "[ . 1 . 2]" 1
606 1 32 ILE HA 1 32 ILE MD . . 4.090 3.505 1.959 3.940 . 0 0 "[ . 1 . 2]" 1
607 1 32 ILE HA 1 32 ILE HG12 . . 4.190 3.140 2.698 4.043 . 0 0 "[ . 1 . 2]" 1
608 1 32 ILE HA 1 32 ILE QG . . 3.660 2.404 2.085 3.321 . 0 0 "[ . 1 . 2]" 1
609 1 32 ILE HA 1 32 ILE HG13 . . 4.190 2.570 2.106 3.755 . 0 0 "[ . 1 . 2]" 1
610 1 32 ILE HA 1 32 ILE MG . . 3.220 2.570 2.276 3.187 . 0 0 "[ . 1 . 2]" 1
611 1 32 ILE HB 1 32 ILE MD . . 3.360 2.193 1.956 3.194 . 0 0 "[ . 1 . 2]" 1
612 1 32 ILE HB 1 33 GLU H . . 4.230 3.075 2.018 4.093 . 0 0 "[ . 1 . 2]" 1
613 1 32 ILE MG 1 33 GLU H . . 4.570 2.649 1.967 3.986 . 0 0 "[ . 1 . 2]" 1
614 1 32 ILE MG 1 33 GLU QG . . 4.020 3.117 1.849 3.882 . 0 0 "[ . 1 . 2]" 1
615 1 33 GLU H 1 33 GLU QG . . 4.500 3.167 2.209 4.103 . 0 0 "[ . 1 . 2]" 1
616 1 33 GLU HA 1 33 GLU QG . . 3.410 2.294 1.997 3.335 . 0 0 "[ . 1 . 2]" 1
617 1 36 GLU H 1 36 GLU HB2 . . 3.700 2.781 2.140 3.552 . 0 0 "[ . 1 . 2]" 1
618 1 36 GLU H 1 36 GLU QB . . 3.190 2.572 2.120 3.292 0.102 14 0 "[ . 1 . 2]" 1
619 1 36 GLU H 1 36 GLU HB3 . . 3.700 3.510 2.339 3.998 0.298 14 0 "[ . 1 . 2]" 1
620 1 36 GLU H 1 36 GLU HG2 . . 4.190 3.758 2.203 4.466 0.276 10 0 "[ . 1 . 2]" 1
621 1 36 GLU H 1 36 GLU QG . . 3.620 3.179 2.186 3.883 0.263 16 0 "[ . 1 . 2]" 1
622 1 36 GLU H 1 36 GLU HG3 . . 4.190 3.628 2.803 4.509 0.319 16 0 "[ . 1 . 2]" 1
623 1 36 GLU HA 1 36 GLU HG2 . . 3.930 2.644 1.975 3.598 . 0 0 "[ . 1 . 2]" 1
624 1 36 GLU HA 1 36 GLU QG . . 3.430 2.303 1.954 3.333 . 0 0 "[ . 1 . 2]" 1
625 1 36 GLU HA 1 36 GLU HG3 . . 3.930 2.932 2.140 3.943 0.013 6 0 "[ . 1 . 2]" 1
626 1 36 GLU HA 1 37 LYS H . . 3.370 2.357 2.202 2.723 . 0 0 "[ . 1 . 2]" 1
627 1 36 GLU HA 1 37 LYS QG . . 4.640 3.599 3.182 4.226 . 0 0 "[ . 1 . 2]" 1
628 1 36 GLU QB 1 37 LYS H . . 3.980 3.229 2.084 4.039 0.059 16 0 "[ . 1 . 2]" 1
629 1 37 LYS H 1 37 LYS QD . . 4.660 4.225 3.438 4.773 0.113 7 0 "[ . 1 . 2]" 1
630 1 37 LYS H 1 37 LYS HG2 . . 4.500 3.224 2.477 3.669 . 0 0 "[ . 1 . 2]" 1
631 1 37 LYS H 1 37 LYS QG . . 3.930 2.422 1.927 3.269 . 0 0 "[ . 1 . 2]" 1
632 1 37 LYS H 1 37 LYS HG3 . . 4.500 2.599 1.952 4.128 . 0 0 "[ . 1 . 2]" 1
633 1 37 LYS H 1 38 LYS H . . 4.500 3.611 2.744 4.478 . 0 0 "[ . 1 . 2]" 1
634 1 37 LYS HA 1 37 LYS QD . . 4.500 3.793 2.557 4.158 . 0 0 "[ . 1 . 2]" 1
635 1 37 LYS HA 1 37 LYS HG2 . . 4.040 2.504 2.206 2.939 . 0 0 "[ . 1 . 2]" 1
636 1 37 LYS HA 1 37 LYS HG3 . . 4.040 3.316 2.726 3.603 . 0 0 "[ . 1 . 2]" 1
637 1 37 LYS HA 1 38 LYS H . . 3.080 2.500 2.177 2.735 . 0 0 "[ . 1 . 2]" 1
638 1 37 LYS QB 1 38 LYS H . . 3.790 3.843 1.984 4.013 0.223 19 0 "[ . 1 . 2]" 1
639 1 37 LYS QG 1 38 LYS H . . 5.020 4.430 3.976 4.516 . 0 0 "[ . 1 . 2]" 1
640 1 38 LYS H 1 38 LYS HB2 . . 4.140 3.606 3.251 3.929 . 0 0 "[ . 1 . 2]" 1
641 1 38 LYS H 1 38 LYS QB . . 3.630 2.731 2.397 3.238 . 0 0 "[ . 1 . 2]" 1
642 1 38 LYS H 1 38 LYS HB3 . . 4.140 2.832 2.460 3.454 . 0 0 "[ . 1 . 2]" 1
643 1 38 LYS H 1 38 LYS QD . . 4.600 3.814 3.226 4.654 0.054 8 0 "[ . 1 . 2]" 1
644 1 38 LYS H 1 38 LYS QE . . 5.180 4.753 4.160 5.014 . 0 0 "[ . 1 . 2]" 1
645 1 38 LYS H 1 38 LYS QG . . 3.710 2.982 1.934 4.127 0.417 5 0 "[ . 1 . 2]" 1
646 1 38 LYS H 1 39 THR H . . 4.830 4.446 4.293 4.534 . 0 0 "[ . 1 . 2]" 1
647 1 38 LYS HA 1 38 LYS QD . . 4.490 3.881 3.477 4.277 . 0 0 "[ . 1 . 2]" 1
648 1 38 LYS HA 1 39 THR H . . 3.020 2.300 2.254 2.455 . 0 0 "[ . 1 . 2]" 1
649 1 38 LYS HA 1 81 ILE MG . . 5.470 4.799 4.658 4.877 . 0 0 "[ . 1 . 2]" 1
650 1 38 LYS HA 1 83 SER HA . . 3.870 2.825 2.512 3.011 . 0 0 "[ . 1 . 2]" 1
651 1 38 LYS HA 1 83 SER QB . . 4.200 3.566 3.183 3.875 . 0 0 "[ . 1 . 2]" 1
652 1 38 LYS HA 1 84 PRO HD2 . . 4.720 3.592 3.025 4.069 . 0 0 "[ . 1 . 2]" 1
653 1 38 LYS HA 1 84 PRO HD3 . . 4.720 3.102 2.643 3.565 . 0 0 "[ . 1 . 2]" 1
654 1 38 LYS QB 1 38 LYS QE . . 3.930 3.017 2.404 3.569 . 0 0 "[ . 1 . 2]" 1
655 1 38 LYS QB 1 39 THR H . . 3.480 3.198 2.517 3.646 0.166 20 0 "[ . 1 . 2]" 1
656 1 38 LYS QB 1 81 ILE MG . . 3.860 3.170 2.734 3.672 . 0 0 "[ . 1 . 2]" 1
657 1 38 LYS QB 1 83 SER HA . . 4.520 2.649 2.263 3.032 . 0 0 "[ . 1 . 2]" 1
658 1 38 LYS QB 1 83 SER QB . . 3.470 1.889 1.760 1.973 . 0 0 "[ . 1 . 2]" 1
659 1 38 LYS QB 1 84 PRO QD . . 4.290 3.227 2.841 3.591 . 0 0 "[ . 1 . 2]" 1
660 1 38 LYS HB2 1 38 LYS QD . . 3.710 2.617 2.007 3.451 . 0 0 "[ . 1 . 2]" 1
661 1 38 LYS HB2 1 38 LYS QE . . 4.700 3.512 2.536 4.176 . 0 0 "[ . 1 . 2]" 1
662 1 38 LYS HB2 1 39 THR H . . 4.020 3.370 2.550 3.985 . 0 0 "[ . 1 . 2]" 1
663 1 38 LYS HB2 1 81 ILE MG . . 4.630 3.371 2.785 4.080 . 0 0 "[ . 1 . 2]" 1
664 1 38 LYS HB3 1 38 LYS QD . . 3.710 2.681 1.963 3.337 . 0 0 "[ . 1 . 2]" 1
665 1 38 LYS HB3 1 38 LYS QE . . 4.700 3.503 2.501 4.078 . 0 0 "[ . 1 . 2]" 1
666 1 38 LYS HB3 1 39 THR H . . 4.020 4.153 3.875 4.261 0.241 9 0 "[ . 1 . 2]" 1
667 1 38 LYS HB3 1 81 ILE MG . . 4.630 4.088 3.979 4.305 . 0 0 "[ . 1 . 2]" 1
668 1 38 LYS QD 1 39 THR H . . 4.540 3.746 3.000 4.869 0.329 12 0 "[ . 1 . 2]" 1
669 1 38 LYS QD 1 40 LEU QD . . 4.200 3.888 3.168 4.840 0.640 16 1 "[ . 1 .+ 2]" 1
670 1 38 LYS QD 1 81 ILE HA . . 4.510 3.756 2.895 4.889 0.379 16 0 "[ . 1 . 2]" 1
671 1 38 LYS QD 1 81 ILE MD . . 4.950 4.482 3.963 4.991 0.041 16 0 "[ . 1 . 2]" 1
672 1 38 LYS QD 1 81 ILE QG . . 4.340 2.952 2.320 3.568 . 0 0 "[ . 1 . 2]" 1
673 1 38 LYS QD 1 81 ILE MG . . 3.160 2.088 1.734 2.734 . 0 0 "[ . 1 . 2]" 1
674 1 38 LYS QD 1 83 SER HA . . 5.210 4.667 4.224 4.958 . 0 0 "[ . 1 . 2]" 1
675 1 38 LYS QE 1 38 LYS QG . . 3.140 2.147 1.955 2.680 . 0 0 "[ . 1 . 2]" 1
676 1 38 LYS QE 1 40 LEU QD . . 4.240 3.212 2.781 3.716 . 0 0 "[ . 1 . 2]" 1
677 1 38 LYS QE 1 81 ILE MD . . 4.160 3.648 3.361 3.832 . 0 0 "[ . 1 . 2]" 1
678 1 38 LYS QE 1 81 ILE MG . . 3.730 2.182 1.830 3.043 . 0 0 "[ . 1 . 2]" 1
679 1 38 LYS QG 1 39 THR H . . 4.250 3.229 1.938 4.396 0.146 13 0 "[ . 1 . 2]" 1
680 1 38 LYS QG 1 39 THR HA . . 4.500 4.203 3.473 4.938 0.438 17 0 "[ . 1 . 2]" 1
681 1 38 LYS QG 1 39 THR MG . . 5.500 4.554 3.339 5.687 0.187 18 0 "[ . 1 . 2]" 1
682 1 38 LYS QG 1 81 ILE MG . . 3.800 2.760 1.894 3.584 . 0 0 "[ . 1 . 2]" 1
683 1 39 THR H 1 39 THR HB . . 4.000 2.843 2.693 3.083 . 0 0 "[ . 1 . 2]" 1
684 1 39 THR H 1 39 THR MG . . 3.540 2.060 1.858 2.558 . 0 0 "[ . 1 . 2]" 1
685 1 39 THR H 1 40 LEU H . . 4.630 4.533 4.461 4.581 . 0 0 "[ . 1 . 2]" 1
686 1 39 THR H 1 81 ILE MG . . 4.870 4.217 3.871 4.430 . 0 0 "[ . 1 . 2]" 1
687 1 39 THR H 1 82 VAL H . . 3.670 3.171 2.846 3.477 . 0 0 "[ . 1 . 2]" 1
688 1 39 THR H 1 82 VAL HB . . 4.480 3.269 2.981 3.576 . 0 0 "[ . 1 . 2]" 1
689 1 39 THR H 1 82 VAL QG . . 4.180 3.600 3.077 3.975 . 0 0 "[ . 1 . 2]" 1
690 1 39 THR H 1 83 SER QB . . 5.080 4.526 4.062 4.835 . 0 0 "[ . 1 . 2]" 1
691 1 39 THR HA 1 39 THR MG . . 3.630 3.232 3.178 3.245 . 0 0 "[ . 1 . 2]" 1
692 1 39 THR HA 1 40 LEU H . . 2.910 2.321 2.169 2.435 . 0 0 "[ . 1 . 2]" 1
693 1 39 THR HA 1 40 LEU HA . . 4.850 4.381 4.340 4.417 . 0 0 "[ . 1 . 2]" 1
694 1 39 THR HA 1 40 LEU QB . . 4.720 3.884 3.829 3.962 . 0 0 "[ . 1 . 2]" 1
695 1 39 THR HB 1 40 LEU H . . 4.240 4.092 3.815 4.426 0.186 18 0 "[ . 1 . 2]" 1
696 1 39 THR MG 1 40 LEU H . . 3.800 3.596 3.160 3.909 0.109 14 0 "[ . 1 . 2]" 1
697 1 39 THR MG 1 40 LEU HA . . 5.040 3.775 3.406 4.102 . 0 0 "[ . 1 . 2]" 1
698 1 39 THR MG 1 40 LEU QB . . 5.500 4.744 4.407 4.934 . 0 0 "[ . 1 . 2]" 1
699 1 39 THR MG 1 41 ILE H . . 4.760 4.186 3.874 4.759 . 0 0 "[ . 1 . 2]" 1
700 1 39 THR MG 1 82 VAL H . . 4.140 3.137 2.562 3.350 . 0 0 "[ . 1 . 2]" 1
701 1 39 THR MG 1 82 VAL HB . . 3.230 1.780 1.749 1.898 . 0 0 "[ . 1 . 2]" 1
702 1 39 THR MG 1 82 VAL QG . . 3.370 2.321 1.902 2.626 . 0 0 "[ . 1 . 2]" 1
703 1 39 THR MG 1 96 PHE QE . . 5.370 4.101 3.582 4.734 . 0 0 "[ . 1 . 2]" 1
704 1 40 LEU H 1 40 LEU QB . . 3.120 2.488 2.327 2.590 . 0 0 "[ . 1 . 2]" 1
705 1 40 LEU H 1 40 LEU MD1 . . 4.570 4.103 4.001 4.121 . 0 0 "[ . 1 . 2]" 1
706 1 40 LEU H 1 40 LEU QD . . 4.020 3.835 3.773 3.864 . 0 0 "[ . 1 . 2]" 1
707 1 40 LEU H 1 40 LEU MD2 . . 4.570 4.609 4.475 4.682 0.112 20 0 "[ . 1 . 2]" 1
708 1 40 LEU H 1 40 LEU HG . . 4.980 4.502 4.221 4.714 . 0 0 "[ . 1 . 2]" 1
709 1 40 LEU H 1 41 ILE H . . 4.340 4.242 4.161 4.348 0.008 4 0 "[ . 1 . 2]" 1
710 1 40 LEU HA 1 40 LEU MD1 . . 3.590 1.901 1.858 1.934 . 0 0 "[ . 1 . 2]" 1
711 1 40 LEU HA 1 40 LEU MD2 . . 3.590 3.579 3.452 3.764 0.174 4 0 "[ . 1 . 2]" 1
712 1 40 LEU HA 1 41 ILE H . . 3.070 2.178 2.176 2.182 . 0 0 "[ . 1 . 2]" 1
713 1 40 LEU HA 1 80 ILE H . . 4.930 4.193 4.000 4.394 . 0 0 "[ . 1 . 2]" 1
714 1 40 LEU HA 1 81 ILE HA . . 3.930 2.182 1.968 2.413 . 0 0 "[ . 1 . 2]" 1
715 1 40 LEU HA 1 81 ILE MD . . 4.490 3.967 3.782 4.316 . 0 0 "[ . 1 . 2]" 1
716 1 40 LEU HA 1 82 VAL H . . 4.260 3.298 2.749 3.597 . 0 0 "[ . 1 . 2]" 1
717 1 40 LEU HA 1 82 VAL QG . . 4.610 3.834 3.515 4.144 . 0 0 "[ . 1 . 2]" 1
718 1 40 LEU QB 1 40 LEU QD . . 2.830 2.010 1.982 2.017 . 0 0 "[ . 1 . 2]" 1
719 1 40 LEU QB 1 41 ILE H . . 4.120 3.900 3.867 3.922 . 0 0 "[ . 1 . 2]" 1
720 1 40 LEU QB 1 42 VAL QG . . 3.970 3.993 3.679 4.287 0.317 4 0 "[ . 1 . 2]" 1
721 1 40 LEU QD 1 41 ILE H . . 3.650 1.959 1.872 2.093 . 0 0 "[ . 1 . 2]" 1
722 1 40 LEU QD 1 42 VAL HA . . 4.800 3.980 3.296 4.224 . 0 0 "[ . 1 . 2]" 1
723 1 40 LEU QD 1 79 ASP H . . 4.640 4.170 4.002 4.361 . 0 0 "[ . 1 . 2]" 1
724 1 40 LEU QD 1 79 ASP HA . . 3.480 2.522 2.090 2.797 . 0 0 "[ . 1 . 2]" 1
725 1 40 LEU QD 1 79 ASP QB . . 2.860 1.793 1.675 1.897 . 0 0 "[ . 1 . 2]" 1
726 1 40 LEU QD 1 80 ILE H . . 3.680 1.919 1.830 2.162 . 0 0 "[ . 1 . 2]" 1
727 1 40 LEU QD 1 80 ILE HA . . 4.850 3.154 3.037 3.374 . 0 0 "[ . 1 . 2]" 1
728 1 40 LEU QD 1 80 ILE QG . . 4.250 3.703 3.463 4.440 0.190 12 0 "[ . 1 . 2]" 1
729 1 40 LEU QD 1 81 ILE HA . . 3.800 2.097 1.896 2.717 . 0 0 "[ . 1 . 2]" 1
730 1 40 LEU QD 1 81 ILE HB . . 5.130 3.516 3.417 4.035 . 0 0 "[ . 1 . 2]" 1
731 1 40 LEU QD 1 81 ILE QG . . 3.370 1.866 1.761 2.178 . 0 0 "[ . 1 . 2]" 1
732 1 40 LEU QD 1 82 VAL H . . 4.390 3.899 3.799 4.336 . 0 0 "[ . 1 . 2]" 1
733 1 40 LEU MD1 1 41 ILE H . . 4.670 1.961 1.873 2.096 . 0 0 "[ . 1 . 2]" 1
734 1 40 LEU MD1 1 79 ASP HA . . 4.340 2.552 2.105 2.835 . 0 0 "[ . 1 . 2]" 1
735 1 40 LEU MD1 1 79 ASP HB2 . . 4.050 2.661 1.889 3.546 . 0 0 "[ . 1 . 2]" 1
736 1 40 LEU MD1 1 79 ASP HB3 . . 4.050 2.636 1.880 3.486 . 0 0 "[ . 1 . 2]" 1
737 1 40 LEU MD1 1 80 ILE H . . 4.670 1.921 1.833 2.165 . 0 0 "[ . 1 . 2]" 1
738 1 40 LEU MD1 1 81 ILE HA . . 5.270 2.116 1.902 2.821 . 0 0 "[ . 1 . 2]" 1
739 1 40 LEU MD2 1 41 ILE H . . 4.670 4.652 4.479 4.713 0.043 6 0 "[ . 1 . 2]" 1
740 1 40 LEU MD2 1 79 ASP HA . . 4.340 3.980 3.540 4.272 . 0 0 "[ . 1 . 2]" 1
741 1 40 LEU MD2 1 79 ASP HB2 . . 4.050 2.772 1.933 3.714 . 0 0 "[ . 1 . 2]" 1
742 1 40 LEU MD2 1 79 ASP HB3 . . 4.050 2.720 1.971 3.511 . 0 0 "[ . 1 . 2]" 1
743 1 40 LEU MD2 1 80 ILE H . . 4.670 4.315 3.930 4.642 . 0 0 "[ . 1 . 2]" 1
744 1 40 LEU MD2 1 81 ILE HA . . 5.270 3.629 3.544 3.760 . 0 0 "[ . 1 . 2]" 1
745 1 40 LEU HG 1 41 ILE H . . 4.950 4.023 3.923 4.350 . 0 0 "[ . 1 . 2]" 1
746 1 40 LEU HG 1 42 VAL QG . . 4.700 3.070 2.792 3.217 . 0 0 "[ . 1 . 2]" 1
747 1 40 LEU HG 1 81 ILE MD . . 5.270 3.724 3.487 4.247 . 0 0 "[ . 1 . 2]" 1
748 1 41 ILE H 1 41 ILE HB . . 3.510 2.406 2.236 2.561 . 0 0 "[ . 1 . 2]" 1
749 1 41 ILE H 1 41 ILE MD . . 4.380 3.492 3.114 3.810 . 0 0 "[ . 1 . 2]" 1
750 1 41 ILE H 1 41 ILE HG12 . . 4.410 3.736 3.329 4.204 . 0 0 "[ . 1 . 2]" 1
751 1 41 ILE H 1 41 ILE HG13 . . 4.410 2.464 2.075 2.976 . 0 0 "[ . 1 . 2]" 1
752 1 41 ILE H 1 41 ILE MG . . 4.240 3.718 3.610 3.773 . 0 0 "[ . 1 . 2]" 1
753 1 41 ILE H 1 42 VAL H . . 4.720 4.582 4.512 4.606 . 0 0 "[ . 1 . 2]" 1
754 1 41 ILE H 1 42 VAL QG . . 4.770 4.353 4.056 4.499 . 0 0 "[ . 1 . 2]" 1
755 1 41 ILE H 1 79 ASP HA . . 4.970 4.751 4.552 4.850 . 0 0 "[ . 1 . 2]" 1
756 1 41 ILE H 1 80 ILE H . . 3.870 2.878 2.788 3.017 . 0 0 "[ . 1 . 2]" 1
757 1 41 ILE H 1 80 ILE HB . . 4.000 3.040 2.930 3.299 . 0 0 "[ . 1 . 2]" 1
758 1 41 ILE H 1 80 ILE MD . . 5.250 5.176 4.373 5.349 0.099 20 0 "[ . 1 . 2]" 1
759 1 41 ILE H 1 80 ILE MG . . 4.350 4.168 3.547 4.313 . 0 0 "[ . 1 . 2]" 1
760 1 41 ILE H 1 81 ILE HA . . 4.330 3.491 3.226 3.662 . 0 0 "[ . 1 . 2]" 1
761 1 41 ILE H 1 82 VAL QG . . 4.760 3.471 3.095 3.832 . 0 0 "[ . 1 . 2]" 1
762 1 41 ILE HA 1 41 ILE MD . . 4.260 3.839 3.751 3.924 . 0 0 "[ . 1 . 2]" 1
763 1 41 ILE HA 1 41 ILE HG12 . . 4.130 2.667 2.496 2.852 . 0 0 "[ . 1 . 2]" 1
764 1 41 ILE HA 1 41 ILE HG13 . . 4.130 2.851 2.379 3.218 . 0 0 "[ . 1 . 2]" 1
765 1 41 ILE HA 1 41 ILE MG . . 3.240 2.446 2.268 2.616 . 0 0 "[ . 1 . 2]" 1
766 1 41 ILE HA 1 42 VAL H . . 3.160 2.293 2.193 2.446 . 0 0 "[ . 1 . 2]" 1
767 1 41 ILE HA 1 42 VAL QG . . 4.420 3.154 2.996 3.297 . 0 0 "[ . 1 . 2]" 1
768 1 41 ILE HA 1 131 LEU QD . . 5.150 4.414 4.173 4.659 . 0 0 "[ . 1 . 2]" 1
769 1 41 ILE HB 1 41 ILE MD . . 3.350 2.240 2.071 2.401 . 0 0 "[ . 1 . 2]" 1
770 1 41 ILE HB 1 80 ILE H . . 4.120 3.365 3.005 3.496 . 0 0 "[ . 1 . 2]" 1
771 1 41 ILE HB 1 80 ILE HB . . 3.490 2.008 1.960 2.139 . 0 0 "[ . 1 . 2]" 1
772 1 41 ILE HB 1 80 ILE MD . . 4.430 4.562 3.540 4.828 0.398 4 0 "[ . 1 . 2]" 1
773 1 41 ILE HB 1 80 ILE QG . . 4.300 3.170 2.849 3.997 . 0 0 "[ . 1 . 2]" 1
774 1 41 ILE HB 1 80 ILE MG . . 3.760 3.487 3.056 3.623 . 0 0 "[ . 1 . 2]" 1
775 1 41 ILE MD 1 41 ILE MG . . 2.780 2.165 1.884 2.442 . 0 0 "[ . 1 . 2]" 1
776 1 41 ILE MD 1 42 VAL H . . 5.450 4.965 4.705 5.094 . 0 0 "[ . 1 . 2]" 1
777 1 41 ILE MD 1 55 VAL QG . . 3.720 2.621 2.036 3.178 . 0 0 "[ . 1 . 2]" 1
778 1 41 ILE MD 1 80 ILE HB . . 3.890 3.122 2.773 3.535 . 0 0 "[ . 1 . 2]" 1
779 1 41 ILE MD 1 80 ILE MD . . 4.530 5.085 4.784 5.298 0.768 19 12 "[ **.-** * * ** *+*]" 1
780 1 41 ILE MD 1 80 ILE QG . . 4.160 4.050 3.673 4.571 0.411 12 0 "[ . 1 . 2]" 1
781 1 41 ILE MD 1 80 ILE MG . . 3.490 3.258 2.936 3.426 . 0 0 "[ . 1 . 2]" 1
782 1 41 ILE MD 1 82 VAL HB . . 4.980 3.695 3.362 4.051 . 0 0 "[ . 1 . 2]" 1
783 1 41 ILE MD 1 82 VAL QG . . 2.980 2.038 1.800 2.328 . 0 0 "[ . 1 . 2]" 1
784 1 41 ILE MD 1 96 PHE HB2 . . 5.340 4.383 4.084 4.683 . 0 0 "[ . 1 . 2]" 1
785 1 41 ILE MD 1 96 PHE HB3 . . 4.700 3.682 3.364 3.970 . 0 0 "[ . 1 . 2]" 1
786 1 41 ILE MD 1 96 PHE QD . . 4.760 3.940 3.494 4.256 . 0 0 "[ . 1 . 2]" 1
787 1 41 ILE MD 1 96 PHE QE . . 5.500 4.588 4.190 4.872 . 0 0 "[ . 1 . 2]" 1
788 1 41 ILE MD 1 98 ILE MD . . 3.260 1.925 1.670 2.295 . 0 0 "[ . 1 . 2]" 1
789 1 41 ILE MD 1 98 ILE HG12 . . 4.800 3.092 2.400 3.664 . 0 0 "[ . 1 . 2]" 1
790 1 41 ILE QG 1 82 VAL QG . . 3.860 2.929 2.359 3.458 . 0 0 "[ . 1 . 2]" 1
791 1 41 ILE MG 1 42 VAL H . . 3.490 2.131 1.912 2.631 . 0 0 "[ . 1 . 2]" 1
792 1 41 ILE MG 1 42 VAL HA . . 4.840 3.672 3.246 3.963 . 0 0 "[ . 1 . 2]" 1
793 1 41 ILE MG 1 43 LEU H . . 4.770 4.396 3.823 4.695 . 0 0 "[ . 1 . 2]" 1
794 1 41 ILE MG 1 43 LEU HA . . 4.940 4.285 4.029 4.560 . 0 0 "[ . 1 . 2]" 1
795 1 41 ILE MG 1 43 LEU HB2 . . 5.500 5.074 4.644 5.415 . 0 0 "[ . 1 . 2]" 1
796 1 41 ILE MG 1 43 LEU MD1 . . 3.510 3.439 1.912 3.787 0.277 10 0 "[ . 1 . 2]" 1
797 1 41 ILE MG 1 43 LEU QD . . 3.060 2.314 1.886 2.506 . 0 0 "[ . 1 . 2]" 1
798 1 41 ILE MG 1 43 LEU MD2 . . 3.510 2.400 2.113 2.884 . 0 0 "[ . 1 . 2]" 1
799 1 41 ILE MG 1 80 ILE H . . 4.700 4.072 3.586 4.421 . 0 0 "[ . 1 . 2]" 1
800 1 41 ILE MG 1 80 ILE HB . . 3.720 3.311 2.846 3.581 . 0 0 "[ . 1 . 2]" 1
801 1 41 ILE MG 1 80 ILE QG . . 4.100 3.219 2.774 4.327 0.227 12 0 "[ . 1 . 2]" 1
802 1 41 ILE MG 1 98 ILE HG12 . . 4.650 3.217 2.575 3.627 . 0 0 "[ . 1 . 2]" 1
803 1 42 VAL H 1 42 VAL HB . . 3.610 2.767 2.621 2.933 . 0 0 "[ . 1 . 2]" 1
804 1 42 VAL H 1 42 VAL MG1 . . 4.450 3.872 3.822 3.949 . 0 0 "[ . 1 . 2]" 1
805 1 42 VAL H 1 42 VAL QG . . 3.300 2.390 2.111 2.696 . 0 0 "[ . 1 . 2]" 1
806 1 42 VAL H 1 42 VAL MG2 . . 4.450 2.414 2.121 2.749 . 0 0 "[ . 1 . 2]" 1
807 1 42 VAL H 1 43 LEU H . . 4.550 4.418 4.289 4.522 . 0 0 "[ . 1 . 2]" 1
808 1 42 VAL HA 1 42 VAL MG1 . . 3.300 2.193 2.098 2.266 . 0 0 "[ . 1 . 2]" 1
809 1 42 VAL HA 1 42 VAL QG . . 2.870 2.065 2.007 2.130 . 0 0 "[ . 1 . 2]" 1
810 1 42 VAL HA 1 42 VAL MG2 . . 3.300 2.531 2.393 2.603 . 0 0 "[ . 1 . 2]" 1
811 1 42 VAL HA 1 43 LEU H . . 3.040 2.228 2.194 2.270 . 0 0 "[ . 1 . 2]" 1
812 1 42 VAL HA 1 43 LEU HB2 . . 5.130 4.648 4.576 4.813 . 0 0 "[ . 1 . 2]" 1
813 1 42 VAL HA 1 43 LEU HG . . 5.500 3.653 3.312 5.288 . 0 0 "[ . 1 . 2]" 1
814 1 42 VAL HA 1 78 ILE H . . 4.660 4.244 4.052 4.535 . 0 0 "[ . 1 . 2]" 1
815 1 42 VAL HA 1 79 ASP HA . . 3.670 2.820 2.341 3.028 . 0 0 "[ . 1 . 2]" 1
816 1 42 VAL HA 1 80 ILE H . . 4.230 3.604 3.368 3.800 . 0 0 "[ . 1 . 2]" 1
817 1 42 VAL HA 1 80 ILE MD . . 5.500 4.917 3.758 5.139 . 0 0 "[ . 1 . 2]" 1
818 1 42 VAL QG 1 43 LEU H . . 3.310 2.597 2.299 2.777 . 0 0 "[ . 1 . 2]" 1
819 1 42 VAL QG 1 43 LEU HA . . 4.330 4.008 3.819 4.112 . 0 0 "[ . 1 . 2]" 1
820 1 42 VAL QG 1 44 THR H . . 4.250 4.096 3.743 5.040 0.790 14 1 "[ . 1 +. 2]" 1
821 1 42 VAL QG 1 77 SER HA . . 4.110 3.888 3.693 4.331 0.221 12 0 "[ . 1 . 2]" 1
822 1 42 VAL QG 1 77 SER QB . . 3.270 2.242 2.046 2.478 . 0 0 "[ . 1 . 2]" 1
823 1 42 VAL QG 1 78 ILE H . . 3.830 3.481 3.210 3.819 . 0 0 "[ . 1 . 2]" 1
824 1 42 VAL QG 1 79 ASP HA . . 3.720 3.117 2.636 3.305 . 0 0 "[ . 1 . 2]" 1
825 1 42 VAL QG 1 80 ILE H . . 4.640 3.940 3.452 4.074 . 0 0 "[ . 1 . 2]" 1
826 1 42 VAL MG1 1 43 LEU H . . 4.420 2.621 2.308 2.811 . 0 0 "[ . 1 . 2]" 1
827 1 42 VAL MG1 1 79 ASP HA . . 4.720 3.498 2.856 3.896 . 0 0 "[ . 1 . 2]" 1
828 1 42 VAL MG2 1 43 LEU H . . 4.420 4.261 4.155 4.316 . 0 0 "[ . 1 . 2]" 1
829 1 42 VAL MG2 1 79 ASP HA . . 4.720 3.520 3.094 3.606 . 0 0 "[ . 1 . 2]" 1
830 1 43 LEU H 1 43 LEU HB2 . . 3.830 2.682 2.583 2.878 . 0 0 "[ . 1 . 2]" 1
831 1 43 LEU H 1 43 LEU MD1 . . 4.450 3.797 3.140 4.014 . 0 0 "[ . 1 . 2]" 1
832 1 43 LEU H 1 43 LEU MD2 . . 4.450 3.714 1.850 3.997 . 0 0 "[ . 1 . 2]" 1
833 1 43 LEU H 1 43 LEU HG . . 4.410 2.869 2.605 4.202 . 0 0 "[ . 1 . 2]" 1
834 1 43 LEU H 1 44 THR H . . 4.460 4.139 4.061 4.462 0.002 14 0 "[ . 1 . 2]" 1
835 1 43 LEU H 1 78 ILE H . . 3.730 2.468 2.317 2.672 . 0 0 "[ . 1 . 2]" 1
836 1 43 LEU H 1 78 ILE MG . . 3.890 2.238 1.933 2.694 . 0 0 "[ . 1 . 2]" 1
837 1 43 LEU H 1 79 ASP HA . . 4.350 4.071 3.749 4.281 . 0 0 "[ . 1 . 2]" 1
838 1 43 LEU H 1 80 ILE H . . 5.100 4.994 4.606 5.157 0.057 14 0 "[ . 1 . 2]" 1
839 1 43 LEU H 1 80 ILE MD . . 4.790 4.770 4.061 4.899 0.109 16 0 "[ . 1 . 2]" 1
840 1 43 LEU HA 1 43 LEU MD1 . . 4.320 3.834 1.919 3.994 . 0 0 "[ . 1 . 2]" 1
841 1 43 LEU HA 1 43 LEU QD . . 3.300 2.133 1.910 2.374 . 0 0 "[ . 1 . 2]" 1
842 1 43 LEU HA 1 43 LEU MD2 . . 4.320 2.219 1.975 3.452 . 0 0 "[ . 1 . 2]" 1
843 1 43 LEU HA 1 44 THR H . . 3.060 2.199 2.182 2.306 . 0 0 "[ . 1 . 2]" 1
844 1 43 LEU HA 1 78 ILE MG . . 4.770 3.989 3.841 4.272 . 0 0 "[ . 1 . 2]" 1
845 1 43 LEU HB2 1 44 THR H . . 4.690 4.398 3.735 4.498 . 0 0 "[ . 1 . 2]" 1
846 1 43 LEU HB2 1 44 THR HA . . 5.500 4.940 4.610 5.019 . 0 0 "[ . 1 . 2]" 1
847 1 43 LEU HB2 1 72 CYS QB . . 5.170 3.321 2.855 3.824 . 0 0 "[ . 1 . 2]" 1
848 1 43 LEU HB2 1 78 ILE H . . 4.040 2.996 2.803 3.391 . 0 0 "[ . 1 . 2]" 1
849 1 43 LEU HB2 1 78 ILE MG . . 3.160 1.803 1.751 2.154 . 0 0 "[ . 1 . 2]" 1
850 1 43 LEU HB3 1 43 LEU MD1 . . 3.560 2.458 2.373 2.601 . 0 0 "[ . 1 . 2]" 1
851 1 43 LEU HB3 1 43 LEU QD . . 3.060 2.145 2.080 2.448 . 0 0 "[ . 1 . 2]" 1
852 1 43 LEU HB3 1 43 LEU MD2 . . 3.560 2.385 2.237 3.183 . 0 0 "[ . 1 . 2]" 1
853 1 43 LEU HB3 1 44 THR H . . 3.960 3.750 2.941 3.892 . 0 0 "[ . 1 . 2]" 1
854 1 43 LEU HB3 1 78 ILE H . . 4.810 4.433 4.254 4.916 0.106 14 0 "[ . 1 . 2]" 1
855 1 43 LEU HB3 1 78 ILE MG . . 3.920 3.186 3.100 3.685 . 0 0 "[ . 1 . 2]" 1
856 1 43 LEU QD 1 44 THR H . . 4.210 3.858 3.715 4.060 . 0 0 "[ . 1 . 2]" 1
857 1 43 LEU QD 1 53 PHE HB2 . . 4.490 2.424 1.902 3.806 . 0 0 "[ . 1 . 2]" 1
858 1 43 LEU QD 1 53 PHE HB3 . . 4.490 2.821 2.130 4.065 . 0 0 "[ . 1 . 2]" 1
859 1 43 LEU QD 1 53 PHE QD . . 4.260 2.593 2.313 3.537 . 0 0 "[ . 1 . 2]" 1
860 1 43 LEU QD 1 53 PHE QE . . 4.810 3.189 2.891 3.810 . 0 0 "[ . 1 . 2]" 1
861 1 43 LEU QD 1 54 LYS H . . 5.440 4.224 3.601 5.482 0.042 14 0 "[ . 1 . 2]" 1
862 1 43 LEU QD 1 55 VAL QG . . 3.870 2.930 2.532 3.568 . 0 0 "[ . 1 . 2]" 1
863 1 43 LEU QD 1 78 ILE H . . 5.440 4.175 3.227 4.353 . 0 0 "[ . 1 . 2]" 1
864 1 43 LEU QD 1 78 ILE HB . . 5.350 3.993 3.722 4.148 . 0 0 "[ . 1 . 2]" 1
865 1 43 LEU QD 1 78 ILE MD . . 4.420 3.961 3.775 4.126 . 0 0 "[ . 1 . 2]" 1
866 1 43 LEU QD 1 78 ILE MG . . 3.350 1.850 1.575 2.010 . 0 0 "[ . 1 . 2]" 1
867 1 43 LEU QD 1 80 ILE MD . . 3.030 2.206 1.841 2.423 . 0 0 "[ . 1 . 2]" 1
868 1 43 LEU QD 1 80 ILE QG . . 3.860 2.128 1.696 2.783 . 0 0 "[ . 1 . 2]" 1
869 1 43 LEU QD 1 80 ILE MG . . 4.640 3.594 3.291 4.040 . 0 0 "[ . 1 . 2]" 1
870 1 43 LEU QD 1 98 ILE MD . . 3.410 3.169 3.036 3.328 . 0 0 "[ . 1 . 2]" 1
871 1 43 LEU QD 1 98 ILE MG . . 3.110 1.954 1.836 2.153 . 0 0 "[ . 1 . 2]" 1
872 1 43 LEU QD 1 100 ALA MB . . 4.700 3.614 3.338 4.331 . 0 0 "[ . 1 . 2]" 1
873 1 43 LEU MD1 1 80 ILE QG . . 5.380 2.220 1.827 3.099 . 0 0 "[ . 1 . 2]" 1
874 1 43 LEU MD1 1 98 ILE MD . . 4.430 4.405 3.257 4.731 0.301 11 0 "[ . 1 . 2]" 1
875 1 43 LEU MD1 1 98 ILE MG . . 3.840 2.741 2.089 2.933 . 0 0 "[ . 1 . 2]" 1
876 1 43 LEU MD2 1 80 ILE QG . . 5.380 3.389 1.704 4.568 . 0 0 "[ . 1 . 2]" 1
877 1 43 LEU MD2 1 98 ILE MD . . 4.430 3.304 3.092 4.500 0.070 14 0 "[ . 1 . 2]" 1
878 1 43 LEU MD2 1 98 ILE MG . . 3.840 2.070 1.860 3.563 . 0 0 "[ . 1 . 2]" 1
879 1 43 LEU HG 1 44 THR H . . 5.500 5.191 5.124 5.261 . 0 0 "[ . 1 . 2]" 1
880 1 43 LEU HG 1 78 ILE MG . . 3.770 2.655 2.375 3.356 . 0 0 "[ . 1 . 2]" 1
881 1 43 LEU HG 1 80 ILE MD . . 4.520 3.780 3.095 4.166 . 0 0 "[ . 1 . 2]" 1
882 1 44 THR H 1 44 THR HB . . 3.610 2.208 2.113 2.686 . 0 0 "[ . 1 . 2]" 1
883 1 44 THR H 1 44 THR MG . . 4.530 3.599 3.450 3.855 . 0 0 "[ . 1 . 2]" 1
884 1 44 THR H 1 45 ASN H . . 4.630 4.305 4.218 4.375 . 0 0 "[ . 1 . 2]" 1
885 1 44 THR H 1 78 ILE MG . . 5.230 5.192 5.118 5.337 0.107 19 0 "[ . 1 . 2]" 1
886 1 44 THR HA 1 44 THR MG . . 3.400 2.593 2.170 2.726 . 0 0 "[ . 1 . 2]" 1
887 1 44 THR HA 1 45 ASN H . . 3.180 2.167 2.155 2.203 . 0 0 "[ . 1 . 2]" 1
888 1 44 THR HA 1 77 SER H . . 5.030 4.861 4.730 5.100 0.070 14 0 "[ . 1 . 2]" 1
889 1 44 THR HA 1 77 SER HA . . 3.390 2.468 2.338 2.665 . 0 0 "[ . 1 . 2]" 1
890 1 44 THR HA 1 77 SER HB2 . . 4.440 3.975 3.453 4.317 . 0 0 "[ . 1 . 2]" 1
891 1 44 THR HA 1 77 SER QB . . 3.880 2.747 2.212 3.055 . 0 0 "[ . 1 . 2]" 1
892 1 44 THR HA 1 77 SER HB3 . . 4.440 2.801 2.239 3.124 . 0 0 "[ . 1 . 2]" 1
893 1 44 THR HA 1 78 ILE H . . 4.340 4.035 3.869 4.149 . 0 0 "[ . 1 . 2]" 1
894 1 44 THR HB 1 45 ASN H . . 4.580 4.642 4.399 4.680 0.100 6 0 "[ . 1 . 2]" 1
895 1 44 THR HB 1 46 VAL QG . . 4.300 3.842 2.894 4.162 . 0 0 "[ . 1 . 2]" 1
896 1 44 THR MG 1 45 ASN H . . 3.490 3.188 3.056 3.337 . 0 0 "[ . 1 . 2]" 1
897 1 44 THR MG 1 46 VAL H . . 4.950 3.924 3.686 4.302 . 0 0 "[ . 1 . 2]" 1
898 1 44 THR MG 1 46 VAL HA . . 4.300 3.650 3.398 3.954 . 0 0 "[ . 1 . 2]" 1
899 1 44 THR MG 1 46 VAL QG . . 3.180 2.271 1.950 2.662 . 0 0 "[ . 1 . 2]" 1
900 1 44 THR MG 1 75 GLY H . . 4.890 4.809 4.566 4.988 0.098 19 0 "[ . 1 . 2]" 1
901 1 44 THR MG 1 76 ALA H . . 4.400 4.483 4.201 4.792 0.392 13 0 "[ . 1 . 2]" 1
902 1 44 THR MG 1 76 ALA MB . . 4.900 5.495 5.185 5.779 0.879 11 14 "[* **.*** *+** -* **]" 1
903 1 44 THR MG 1 77 SER H . . 4.860 5.745 5.160 6.096 1.236 3 18 "[ *+********** ***-**]" 1
904 1 44 THR MG 1 77 SER HA . . 4.330 4.428 3.874 4.673 0.343 3 0 "[ . 1 . 2]" 1
905 1 44 THR MG 1 77 SER QB . . 4.210 3.647 3.110 4.036 . 0 0 "[ . 1 . 2]" 1
906 1 45 ASN H 1 45 ASN HB2 . . 3.680 2.339 2.169 2.613 . 0 0 "[ . 1 . 2]" 1
907 1 45 ASN H 1 45 ASN HB3 . . 3.530 2.673 2.408 2.855 . 0 0 "[ . 1 . 2]" 1
908 1 45 ASN H 1 45 ASN HD21 . . 4.910 4.684 4.373 4.755 . 0 0 "[ . 1 . 2]" 1
909 1 45 ASN H 1 72 CYS HG . . 4.370 3.025 2.132 4.015 . 0 0 "[ . 1 . 2]" 1
910 1 45 ASN H 1 75 GLY H . . 4.520 4.296 4.029 4.684 0.164 4 0 "[ . 1 . 2]" 1
911 1 45 ASN H 1 76 ALA H . . 4.160 3.282 2.979 3.752 . 0 0 "[ . 1 . 2]" 1
912 1 45 ASN H 1 76 ALA MB . . 4.680 4.324 4.150 4.570 . 0 0 "[ . 1 . 2]" 1
913 1 45 ASN H 1 77 SER HA . . 3.960 3.238 2.941 3.488 . 0 0 "[ . 1 . 2]" 1
914 1 45 ASN H 1 78 ILE H . . 5.290 4.759 4.380 4.895 . 0 0 "[ . 1 . 2]" 1
915 1 45 ASN HA 1 46 VAL H . . 3.110 2.275 2.253 2.377 . 0 0 "[ . 1 . 2]" 1
916 1 45 ASN HA 1 46 VAL QG . . 4.340 3.456 3.369 4.267 . 0 0 "[ . 1 . 2]" 1
917 1 45 ASN HA 1 47 THR H . . 4.500 3.724 3.330 4.438 . 0 0 "[ . 1 . 2]" 1
918 1 45 ASN HA 1 51 VAL QG . . 4.100 3.731 3.125 3.952 . 0 0 "[ . 1 . 2]" 1
919 1 45 ASN HB2 1 46 VAL H . . 4.630 4.619 4.500 4.704 0.074 5 0 "[ . 1 . 2]" 1
920 1 45 ASN HB2 1 51 VAL QG . . 4.550 3.997 3.443 4.206 . 0 0 "[ . 1 . 2]" 1
921 1 45 ASN HB2 1 72 CYS HA . . 5.500 4.906 4.864 4.979 . 0 0 "[ . 1 . 2]" 1
922 1 45 ASN HB2 1 72 CYS QB . . 4.340 2.833 2.586 2.932 . 0 0 "[ . 1 . 2]" 1
923 1 45 ASN HB2 1 72 CYS HG . . 4.330 2.270 1.979 3.123 . 0 0 "[ . 1 . 2]" 1
924 1 45 ASN HB2 1 74 PRO HA . . 4.210 3.629 3.303 3.823 . 0 0 "[ . 1 . 2]" 1
925 1 45 ASN HB2 1 75 GLY H . . 4.320 4.181 3.811 4.501 0.181 12 0 "[ . 1 . 2]" 1
926 1 45 ASN HB2 1 76 ALA H . . 3.930 3.706 3.166 4.016 0.086 12 0 "[ . 1 . 2]" 1
927 1 45 ASN HB3 1 72 CYS HG . . 4.480 3.192 2.492 3.748 . 0 0 "[ . 1 . 2]" 1
928 1 45 ASN HB3 1 74 PRO HA . . 3.990 2.262 1.992 2.734 . 0 0 "[ . 1 . 2]" 1
929 1 45 ASN HB3 1 75 GLY H . . 3.950 2.481 2.113 2.774 . 0 0 "[ . 1 . 2]" 1
930 1 45 ASN HB3 1 76 ALA H . . 3.690 2.631 2.046 2.949 . 0 0 "[ . 1 . 2]" 1
931 1 45 ASN HB3 1 76 ALA MB . . 4.390 4.033 3.660 4.330 . 0 0 "[ . 1 . 2]" 1
932 1 45 ASN HD21 1 50 ILE HA . . 4.450 3.015 2.354 3.580 . 0 0 "[ . 1 . 2]" 1
933 1 45 ASN HD21 1 51 VAL H . . 3.960 3.133 2.435 3.729 . 0 0 "[ . 1 . 2]" 1
934 1 45 ASN HD21 1 51 VAL HB . . 4.610 3.386 2.885 3.890 . 0 0 "[ . 1 . 2]" 1
935 1 45 ASN HD21 1 51 VAL QG . . 3.990 3.271 2.829 3.534 . 0 0 "[ . 1 . 2]" 1
936 1 45 ASN HD21 1 72 CYS QB . . 4.840 3.865 2.788 4.490 . 0 0 "[ . 1 . 2]" 1
937 1 45 ASN HD21 1 74 PRO HA . . 4.170 2.559 1.929 3.626 . 0 0 "[ . 1 . 2]" 1
938 1 45 ASN HD21 1 76 ALA H . . 5.500 4.596 4.133 4.872 . 0 0 "[ . 1 . 2]" 1
939 1 45 ASN HD22 1 50 ILE HA . . 4.210 2.623 1.941 2.963 . 0 0 "[ . 1 . 2]" 1
940 1 45 ASN HD22 1 51 VAL H . . 3.940 2.752 2.371 3.212 . 0 0 "[ . 1 . 2]" 1
941 1 45 ASN HD22 1 51 VAL QG . . 3.700 2.013 1.872 2.415 . 0 0 "[ . 1 . 2]" 1
942 1 45 ASN HD22 1 74 PRO HA . . 4.000 3.254 2.908 3.618 . 0 0 "[ . 1 . 2]" 1
943 1 46 VAL H 1 46 VAL QG . . 2.920 1.954 1.817 2.928 0.008 10 0 "[ . 1 . 2]" 1
944 1 46 VAL H 1 47 THR H . . 3.240 2.525 2.208 3.577 0.337 10 0 "[ . 1 . 2]" 1
945 1 46 VAL H 1 47 THR MG . . 4.030 3.798 3.016 4.009 . 0 0 "[ . 1 . 2]" 1
946 1 46 VAL HA 1 46 VAL QG . . 2.840 2.209 2.113 2.357 . 0 0 "[ . 1 . 2]" 1
947 1 46 VAL HB 1 47 THR H . . 4.590 3.980 3.667 4.624 0.034 10 0 "[ . 1 . 2]" 1
948 1 46 VAL QG 1 47 THR H . . 3.630 2.361 1.896 3.584 . 0 0 "[ . 1 . 2]" 1
949 1 46 VAL QG 1 47 THR HA . . 4.420 3.404 3.130 3.782 . 0 0 "[ . 1 . 2]" 1
950 1 46 VAL QG 1 47 THR MG . . 3.470 2.397 2.203 2.991 . 0 0 "[ . 1 . 2]" 1
951 1 47 THR H 1 47 THR MG . . 3.170 2.486 2.077 3.195 0.025 10 0 "[ . 1 . 2]" 1
952 1 47 THR H 1 48 LYS H . . 4.730 4.618 4.378 4.674 . 0 0 "[ . 1 . 2]" 1
953 1 47 THR H 1 51 VAL QG . . 4.130 3.738 3.407 3.980 . 0 0 "[ . 1 . 2]" 1
954 1 47 THR HA 1 47 THR HB . . 3.000 2.642 2.559 2.676 . 0 0 "[ . 1 . 2]" 1
955 1 47 THR HA 1 47 THR MG . . 3.150 2.360 2.332 2.399 . 0 0 "[ . 1 . 2]" 1
956 1 47 THR HA 1 48 LYS H . . 3.140 2.393 2.312 2.563 . 0 0 "[ . 1 . 2]" 1
957 1 47 THR HA 1 49 ASN H . . 4.150 3.957 3.843 4.073 . 0 0 "[ . 1 . 2]" 1
958 1 47 THR HB 1 48 LYS H . . 3.060 2.714 2.325 2.940 . 0 0 "[ . 1 . 2]" 1
959 1 47 THR HB 1 49 ASN H . . 3.770 2.484 2.322 2.652 . 0 0 "[ . 1 . 2]" 1
960 1 47 THR HB 1 51 VAL QG . . 5.500 3.175 2.897 3.635 . 0 0 "[ . 1 . 2]" 1
961 1 47 THR MG 1 48 LYS H . . 3.800 3.606 3.497 3.712 . 0 0 "[ . 1 . 2]" 1
962 1 47 THR MG 1 49 ASN H . . 4.300 4.156 4.044 4.252 . 0 0 "[ . 1 . 2]" 1
963 1 47 THR MG 1 51 VAL QG . . 3.100 2.720 1.971 3.002 . 0 0 "[ . 1 . 2]" 1
964 1 47 THR MG 1 102 GLU HB2 . . 4.470 3.605 3.275 3.963 . 0 0 "[ . 1 . 2]" 1
965 1 47 THR MG 1 102 GLU HB3 . . 4.680 4.505 4.193 4.972 0.292 15 0 "[ . 1 . 2]" 1
966 1 47 THR MG 1 102 GLU HG2 . . 4.220 3.331 2.255 3.780 . 0 0 "[ . 1 . 2]" 1
967 1 47 THR MG 1 102 GLU QG . . 3.710 2.090 1.911 2.748 . 0 0 "[ . 1 . 2]" 1
968 1 47 THR MG 1 102 GLU HG3 . . 4.220 2.195 1.925 3.045 . 0 0 "[ . 1 . 2]" 1
969 1 48 LYS H 1 48 LYS HB2 . . 3.780 2.249 2.143 2.386 . 0 0 "[ . 1 . 2]" 1
970 1 48 LYS H 1 48 LYS QB . . 3.160 2.200 2.116 2.298 . 0 0 "[ . 1 . 2]" 1
971 1 48 LYS H 1 48 LYS HB3 . . 3.780 3.187 2.885 3.424 . 0 0 "[ . 1 . 2]" 1
972 1 48 LYS H 1 48 LYS QG . . 4.590 3.829 3.330 4.128 . 0 0 "[ . 1 . 2]" 1
973 1 48 LYS H 1 49 ASN H . . 3.370 2.770 2.495 2.896 . 0 0 "[ . 1 . 2]" 1
974 1 48 LYS HA 1 48 LYS HD2 . . 4.250 3.191 2.118 4.062 . 0 0 "[ . 1 . 2]" 1
975 1 48 LYS HA 1 48 LYS QD . . 3.480 2.786 2.094 3.612 0.132 17 0 "[ . 1 . 2]" 1
976 1 48 LYS HA 1 48 LYS HD3 . . 4.250 3.498 2.537 4.093 . 0 0 "[ . 1 . 2]" 1
977 1 48 LYS HA 1 48 LYS HG2 . . 3.760 2.945 1.982 3.556 . 0 0 "[ . 1 . 2]" 1
978 1 48 LYS HA 1 48 LYS QG . . 3.230 2.101 1.952 2.398 . 0 0 "[ . 1 . 2]" 1
979 1 48 LYS HA 1 48 LYS HG3 . . 3.760 2.545 1.990 3.501 . 0 0 "[ . 1 . 2]" 1
980 1 48 LYS HA 1 74 PRO HB2 . . 3.890 2.493 1.976 3.259 . 0 0 "[ . 1 . 2]" 1
981 1 48 LYS HA 1 74 PRO QB . . 3.350 2.321 1.884 2.840 . 0 0 "[ . 1 . 2]" 1
982 1 48 LYS HA 1 74 PRO HB3 . . 3.890 2.786 2.316 3.146 . 0 0 "[ . 1 . 2]" 1
983 1 48 LYS HA 1 74 PRO HG3 . . 4.500 4.048 3.749 4.368 . 0 0 "[ . 1 . 2]" 1
984 1 48 LYS QB 1 48 LYS QD . . 3.260 2.198 1.938 2.457 . 0 0 "[ . 1 . 2]" 1
985 1 48 LYS QB 1 49 ASN H . . 3.970 3.842 3.724 3.886 . 0 0 "[ . 1 . 2]" 1
986 1 49 ASN H 1 49 ASN QB . . 3.650 2.871 2.542 3.004 . 0 0 "[ . 1 . 2]" 1
987 1 49 ASN H 1 49 ASN HD21 . . 4.180 3.433 2.876 4.009 . 0 0 "[ . 1 . 2]" 1
988 1 49 ASN H 1 51 VAL QG . . 4.260 3.690 3.490 4.020 . 0 0 "[ . 1 . 2]" 1
989 1 49 ASN H 1 74 PRO HA . . 4.780 4.345 4.051 4.417 . 0 0 "[ . 1 . 2]" 1
990 1 49 ASN H 1 74 PRO HB2 . . 4.200 3.800 3.599 4.082 . 0 0 "[ . 1 . 2]" 1
991 1 49 ASN H 1 74 PRO QB . . 3.650 2.388 2.163 2.541 . 0 0 "[ . 1 . 2]" 1
992 1 49 ASN H 1 74 PRO HB3 . . 4.200 2.413 2.178 2.566 . 0 0 "[ . 1 . 2]" 1
993 1 49 ASN H 1 74 PRO HG2 . . 5.500 4.794 4.414 4.923 . 0 0 "[ . 1 . 2]" 1
994 1 49 ASN H 1 74 PRO HG3 . . 4.360 3.561 3.160 3.719 . 0 0 "[ . 1 . 2]" 1
995 1 49 ASN H 1 102 GLU HG2 . . 4.660 4.219 3.805 4.853 0.193 12 0 "[ . 1 . 2]" 1
996 1 49 ASN H 1 102 GLU QG . . 4.080 3.909 3.538 4.318 0.238 12 0 "[ . 1 . 2]" 1
997 1 49 ASN H 1 102 GLU HG3 . . 4.660 4.635 4.208 4.970 0.310 15 0 "[ . 1 . 2]" 1
998 1 49 ASN HA 1 50 ILE H . . 3.230 2.368 2.298 2.578 . 0 0 "[ . 1 . 2]" 1
999 1 49 ASN HA 1 50 ILE QG . . 4.570 3.910 3.548 4.275 . 0 0 "[ . 1 . 2]" 1
1000 1 49 ASN HA 1 74 PRO HG2 . . 4.830 3.923 3.499 4.243 . 0 0 "[ . 1 . 2]" 1
1001 1 49 ASN HA 1 74 PRO HG3 . . 3.990 2.415 1.998 2.738 . 0 0 "[ . 1 . 2]" 1
1002 1 49 ASN QB 1 50 ILE H . . 3.610 2.878 2.351 3.089 . 0 0 "[ . 1 . 2]" 1
1003 1 49 ASN QB 1 51 VAL QG . . 4.700 3.534 3.413 3.826 . 0 0 "[ . 1 . 2]" 1
1004 1 49 ASN QB 1 102 GLU HB3 . . 5.030 4.321 4.129 4.448 . 0 0 "[ . 1 . 2]" 1
1005 1 49 ASN QB 1 102 GLU HG2 . . 4.220 2.612 2.205 3.732 . 0 0 "[ . 1 . 2]" 1
1006 1 49 ASN QB 1 102 GLU QG . . 4.220 2.494 2.187 2.949 . 0 0 "[ . 1 . 2]" 1
1007 1 49 ASN QB 1 102 GLU HG3 . . 4.220 3.708 3.028 3.970 . 0 0 "[ . 1 . 2]" 1
1008 1 49 ASN QB 1 103 MET H . . 4.500 3.783 3.372 4.033 . 0 0 "[ . 1 . 2]" 1
1009 1 49 ASN QB 1 103 MET QB . . 4.970 4.163 3.749 4.542 . 0 0 "[ . 1 . 2]" 1
1010 1 49 ASN HD21 1 102 GLU HG2 . . 4.790 3.476 3.161 4.754 . 0 0 "[ . 1 . 2]" 1
1011 1 49 ASN HD21 1 102 GLU HG3 . . 4.790 3.862 3.315 4.240 . 0 0 "[ . 1 . 2]" 1
1012 1 49 ASN HD22 1 102 GLU QG . . 5.030 4.682 4.508 4.883 . 0 0 "[ . 1 . 2]" 1
1013 1 50 ILE H 1 50 ILE HB . . 3.280 2.389 2.225 2.527 . 0 0 "[ . 1 . 2]" 1
1014 1 50 ILE H 1 50 ILE MD . . 3.760 3.598 3.366 3.737 . 0 0 "[ . 1 . 2]" 1
1015 1 50 ILE H 1 50 ILE HG12 . . 3.920 3.280 2.888 3.746 . 0 0 "[ . 1 . 2]" 1
1016 1 50 ILE H 1 50 ILE QG . . 3.240 2.115 1.866 2.446 . 0 0 "[ . 1 . 2]" 1
1017 1 50 ILE H 1 50 ILE HG13 . . 3.920 2.142 1.888 2.479 . 0 0 "[ . 1 . 2]" 1
1018 1 50 ILE H 1 50 ILE MG . . 3.900 3.698 3.645 3.718 . 0 0 "[ . 1 . 2]" 1
1019 1 50 ILE H 1 51 VAL H . . 4.580 4.654 4.627 4.665 0.085 4 0 "[ . 1 . 2]" 1
1020 1 50 ILE H 1 74 PRO HD2 . . 4.710 4.719 4.250 5.063 0.353 1 0 "[ . 1 . 2]" 1
1021 1 50 ILE H 1 74 PRO HG2 . . 5.280 4.573 4.139 4.834 . 0 0 "[ . 1 . 2]" 1
1022 1 50 ILE HA 1 50 ILE MD . . 4.150 3.741 3.680 3.872 . 0 0 "[ . 1 . 2]" 1
1023 1 50 ILE HA 1 50 ILE HG12 . . 4.090 2.398 2.280 2.633 . 0 0 "[ . 1 . 2]" 1
1024 1 50 ILE HA 1 50 ILE QG . . 3.590 2.292 2.205 2.467 . 0 0 "[ . 1 . 2]" 1
1025 1 50 ILE HA 1 50 ILE HG13 . . 4.090 2.949 2.577 3.295 . 0 0 "[ . 1 . 2]" 1
1026 1 50 ILE HA 1 50 ILE MG . . 3.550 2.511 2.348 2.660 . 0 0 "[ . 1 . 2]" 1
1027 1 50 ILE HA 1 51 VAL H . . 3.230 2.302 2.241 2.421 . 0 0 "[ . 1 . 2]" 1
1028 1 50 ILE HA 1 51 VAL HB . . 5.070 4.343 4.266 4.448 . 0 0 "[ . 1 . 2]" 1
1029 1 50 ILE HA 1 51 VAL QG . . 4.690 3.591 3.377 3.726 . 0 0 "[ . 1 . 2]" 1
1030 1 50 ILE HA 1 74 PRO HD3 . . 3.870 2.455 2.127 2.737 . 0 0 "[ . 1 . 2]" 1
1031 1 50 ILE HB 1 50 ILE MD . . 3.090 2.381 2.214 2.527 . 0 0 "[ . 1 . 2]" 1
1032 1 50 ILE HB 1 51 VAL H . . 4.560 4.099 3.714 4.293 . 0 0 "[ . 1 . 2]" 1
1033 1 50 ILE HB 1 107 SER QB . . 5.500 3.489 2.829 3.987 . 0 0 "[ . 1 . 2]" 1
1034 1 50 ILE MD 1 50 ILE MG . . 2.730 1.888 1.840 2.045 . 0 0 "[ . 1 . 2]" 1
1035 1 50 ILE MD 1 51 VAL H . . 5.500 4.673 4.592 4.820 . 0 0 "[ . 1 . 2]" 1
1036 1 50 ILE MD 1 74 PRO HD2 . . 4.180 4.406 4.050 4.780 0.600 15 3 "[ . *1 -+ 2]" 1
1037 1 50 ILE MD 1 74 PRO HD3 . . 4.290 3.735 3.463 3.961 . 0 0 "[ . 1 . 2]" 1
1038 1 50 ILE MD 1 106 SER HA . . 4.630 3.745 2.634 4.529 . 0 0 "[ . 1 . 2]" 1
1039 1 50 ILE MD 1 106 SER QB . . 4.790 5.152 3.960 5.900 1.110 4 9 "[ +* ** 1* *.*- *]" 1
1040 1 50 ILE MD 1 107 SER H . . 5.140 2.784 1.910 3.618 . 0 0 "[ . 1 . 2]" 1
1041 1 50 ILE MD 1 107 SER HA . . 5.500 4.478 4.328 4.570 . 0 0 "[ . 1 . 2]" 1
1042 1 50 ILE MD 1 107 SER QB . . 4.730 2.621 1.849 3.574 . 0 0 "[ . 1 . 2]" 1
1043 1 50 ILE MD 1 109 THR MG . . 3.130 2.485 1.854 3.106 . 0 0 "[ . 1 . 2]" 1
1044 1 50 ILE QG 1 74 PRO HD2 . . 4.360 3.166 2.861 3.543 . 0 0 "[ . 1 . 2]" 1
1045 1 50 ILE QG 1 74 PRO HD3 . . 3.690 2.053 1.806 2.320 . 0 0 "[ . 1 . 2]" 1
1046 1 50 ILE HG12 1 50 ILE MG . . 3.580 2.514 2.390 2.586 . 0 0 "[ . 1 . 2]" 1
1047 1 50 ILE HG12 1 74 PRO HD3 . . 4.210 2.200 1.977 2.666 . 0 0 "[ . 1 . 2]" 1
1048 1 50 ILE HG13 1 50 ILE MG . . 3.580 3.229 3.211 3.238 . 0 0 "[ . 1 . 2]" 1
1049 1 50 ILE HG13 1 74 PRO HD3 . . 4.210 2.615 2.004 3.318 . 0 0 "[ . 1 . 2]" 1
1050 1 50 ILE MG 1 51 VAL H . . 3.440 2.125 1.922 2.435 . 0 0 "[ . 1 . 2]" 1
1051 1 50 ILE MG 1 51 VAL HA . . 4.640 3.416 3.272 3.750 . 0 0 "[ . 1 . 2]" 1
1052 1 50 ILE MG 1 52 ALA H . . 4.780 3.846 3.466 4.145 . 0 0 "[ . 1 . 2]" 1
1053 1 50 ILE MG 1 71 SER HA . . 4.260 4.289 3.562 4.725 0.465 12 0 "[ . 1 . 2]" 1
1054 1 50 ILE MG 1 71 SER HB2 . . 3.840 2.690 1.836 3.484 . 0 0 "[ . 1 . 2]" 1
1055 1 50 ILE MG 1 71 SER QB . . 3.190 2.427 1.725 2.890 . 0 0 "[ . 1 . 2]" 1
1056 1 50 ILE MG 1 71 SER HB3 . . 3.840 3.040 2.095 3.648 . 0 0 "[ . 1 . 2]" 1
1057 1 50 ILE MG 1 72 CYS H . . 3.500 3.487 2.757 3.722 0.222 15 0 "[ . 1 . 2]" 1
1058 1 50 ILE MG 1 72 CYS QB . . 5.500 4.965 4.131 5.315 . 0 0 "[ . 1 . 2]" 1
1059 1 50 ILE MG 1 103 MET H . . 5.460 3.879 3.536 4.373 . 0 0 "[ . 1 . 2]" 1
1060 1 50 ILE MG 1 107 SER QB . . 5.500 2.987 2.210 3.904 . 0 0 "[ . 1 . 2]" 1
1061 1 50 ILE MG 1 109 THR HA . . 5.050 4.618 4.216 5.099 0.049 18 0 "[ . 1 . 2]" 1
1062 1 50 ILE MG 1 109 THR HB . . 4.960 4.493 3.721 5.439 0.479 15 0 "[ . 1 . 2]" 1
1063 1 50 ILE MG 1 109 THR MG . . 3.000 2.358 1.869 2.929 . 0 0 "[ . 1 . 2]" 1
1064 1 51 VAL H 1 51 VAL HB . . 3.500 2.646 2.506 2.692 . 0 0 "[ . 1 . 2]" 1
1065 1 51 VAL H 1 51 VAL QG . . 3.660 2.974 2.845 3.056 . 0 0 "[ . 1 . 2]" 1
1066 1 51 VAL H 1 72 CYS H . . 3.740 2.959 2.451 3.229 . 0 0 "[ . 1 . 2]" 1
1067 1 51 VAL H 1 72 CYS QB . . 4.590 4.220 3.544 4.436 . 0 0 "[ . 1 . 2]" 1
1068 1 51 VAL H 1 74 PRO HD3 . . 4.790 4.533 4.259 4.834 0.044 14 0 "[ . 1 . 2]" 1
1069 1 51 VAL HA 1 51 VAL HB . . 2.700 3.020 3.014 3.025 0.325 10 0 "[ . 1 . 2]" 1
1070 1 51 VAL HA 1 51 VAL QG . . 3.250 2.066 2.042 2.117 . 0 0 "[ . 1 . 2]" 1
1071 1 51 VAL HA 1 52 ALA H . . 3.140 2.190 2.182 2.209 . 0 0 "[ . 1 . 2]" 1
1072 1 51 VAL HA 1 52 ALA MB . . 4.730 3.899 3.851 3.952 . 0 0 "[ . 1 . 2]" 1
1073 1 51 VAL HA 1 101 ALA H . . 4.540 4.236 3.804 4.424 . 0 0 "[ . 1 . 2]" 1
1074 1 51 VAL HA 1 102 GLU HA . . 3.520 2.541 2.296 2.637 . 0 0 "[ . 1 . 2]" 1
1075 1 51 VAL HA 1 103 MET H . . 3.730 2.318 1.952 2.727 . 0 0 "[ . 1 . 2]" 1
1076 1 51 VAL HA 1 103 MET QG . . 5.180 3.427 2.690 4.204 . 0 0 "[ . 1 . 2]" 1
1077 1 51 VAL HB 1 52 ALA H . . 4.000 4.407 4.297 4.538 0.538 18 3 "[ . 1- * . + 2]" 1
1078 1 51 VAL HB 1 72 CYS H . . 4.460 3.741 3.213 4.037 . 0 0 "[ . 1 . 2]" 1
1079 1 51 VAL HB 1 72 CYS QB . . 4.890 3.782 3.088 4.292 . 0 0 "[ . 1 . 2]" 1
1080 1 51 VAL HB 1 102 GLU HA . . 4.000 4.360 4.118 4.824 0.824 13 6 "[* . 1**+*. -2]" 1
1081 1 51 VAL QG 1 52 ALA H . . 3.370 2.696 2.364 3.015 . 0 0 "[ . 1 . 2]" 1
1082 1 51 VAL QG 1 52 ALA MB . . 4.140 3.842 3.661 3.971 . 0 0 "[ . 1 . 2]" 1
1083 1 51 VAL QG 1 53 PHE H . . 4.650 4.358 3.996 4.656 0.006 18 0 "[ . 1 . 2]" 1
1084 1 51 VAL QG 1 53 PHE HA . . 4.900 4.027 3.773 4.156 . 0 0 "[ . 1 . 2]" 1
1085 1 51 VAL QG 1 53 PHE HB2 . . 5.210 4.669 4.325 4.787 . 0 0 "[ . 1 . 2]" 1
1086 1 51 VAL QG 1 53 PHE HB3 . . 4.360 3.460 3.066 3.607 . 0 0 "[ . 1 . 2]" 1
1087 1 51 VAL QG 1 53 PHE QD . . 4.700 4.261 3.887 4.519 . 0 0 "[ . 1 . 2]" 1
1088 1 51 VAL QG 1 72 CYS H . . 4.800 3.968 3.777 4.165 . 0 0 "[ . 1 . 2]" 1
1089 1 51 VAL QG 1 72 CYS QB . . 5.280 3.993 3.636 4.317 . 0 0 "[ . 1 . 2]" 1
1090 1 51 VAL QG 1 100 ALA HA . . 4.200 2.948 2.564 3.153 . 0 0 "[ . 1 . 2]" 1
1091 1 51 VAL QG 1 100 ALA MB . . 2.880 2.415 1.837 2.670 . 0 0 "[ . 1 . 2]" 1
1092 1 51 VAL QG 1 101 ALA H . . 3.410 2.351 2.161 2.688 . 0 0 "[ . 1 . 2]" 1
1093 1 51 VAL QG 1 102 GLU H . . 4.610 3.391 3.190 3.687 . 0 0 "[ . 1 . 2]" 1
1094 1 51 VAL QG 1 102 GLU HA . . 3.410 1.916 1.794 2.264 . 0 0 "[ . 1 . 2]" 1
1095 1 51 VAL QG 1 102 GLU HB2 . . 4.020 3.366 3.110 3.729 . 0 0 "[ . 1 . 2]" 1
1096 1 51 VAL QG 1 102 GLU HG2 . . 3.850 2.304 1.988 2.817 . 0 0 "[ . 1 . 2]" 1
1097 1 51 VAL QG 1 102 GLU QG . . 3.370 2.067 1.829 2.490 . 0 0 "[ . 1 . 2]" 1
1098 1 51 VAL QG 1 102 GLU HG3 . . 3.850 2.467 1.995 3.572 . 0 0 "[ . 1 . 2]" 1
1099 1 51 VAL QG 1 103 MET H . . 3.910 2.711 2.415 3.207 . 0 0 "[ . 1 . 2]" 1
1100 1 51 VAL QG 1 117 PHE QE . . 5.440 4.084 3.639 4.598 . 0 0 "[ . 1 . 2]" 1
1101 1 51 VAL QG 1 127 MET ME . . 5.500 4.127 3.450 4.411 . 0 0 "[ . 1 . 2]" 1
1102 1 52 ALA H 1 52 ALA MB . . 3.210 2.083 1.944 2.238 . 0 0 "[ . 1 . 2]" 1
1103 1 52 ALA H 1 72 CYS H . . 5.230 4.995 4.821 5.124 . 0 0 "[ . 1 . 2]" 1
1104 1 52 ALA H 1 100 ALA MB . . 5.480 5.342 5.197 5.550 0.070 18 0 "[ . 1 . 2]" 1
1105 1 52 ALA H 1 101 ALA H . . 3.720 3.192 2.968 3.537 . 0 0 "[ . 1 . 2]" 1
1106 1 52 ALA H 1 101 ALA MB . . 4.880 3.789 3.561 4.043 . 0 0 "[ . 1 . 2]" 1
1107 1 52 ALA H 1 102 GLU HA . . 4.340 3.993 3.799 4.082 . 0 0 "[ . 1 . 2]" 1
1108 1 52 ALA H 1 103 MET ME . . 4.580 4.391 4.159 4.500 . 0 0 "[ . 1 . 2]" 1
1109 1 52 ALA H 1 103 MET QG . . 4.560 2.631 1.998 3.275 . 0 0 "[ . 1 . 2]" 1
1110 1 52 ALA HA 1 53 PHE H . . 3.160 2.211 2.187 2.255 . 0 0 "[ . 1 . 2]" 1
1111 1 52 ALA HA 1 53 PHE QD . . 4.740 3.654 3.413 4.015 . 0 0 "[ . 1 . 2]" 1
1112 1 52 ALA HA 1 71 SER H . . 4.820 4.447 4.308 4.607 . 0 0 "[ . 1 . 2]" 1
1113 1 52 ALA HA 1 71 SER HA . . 3.510 2.125 1.970 2.264 . 0 0 "[ . 1 . 2]" 1
1114 1 52 ALA HA 1 71 SER HB2 . . 4.220 2.596 1.955 3.574 . 0 0 "[ . 1 . 2]" 1
1115 1 52 ALA HA 1 71 SER QB . . 3.650 2.094 1.914 2.535 . 0 0 "[ . 1 . 2]" 1
1116 1 52 ALA HA 1 71 SER HB3 . . 4.220 2.711 1.942 3.815 . 0 0 "[ . 1 . 2]" 1
1117 1 52 ALA HA 1 72 CYS H . . 4.070 3.604 3.456 3.798 . 0 0 "[ . 1 . 2]" 1
1118 1 52 ALA HA 1 101 ALA H . . 5.200 4.697 4.442 4.847 . 0 0 "[ . 1 . 2]" 1
1119 1 52 ALA HA 1 114 LEU QD . . 4.180 2.992 2.505 3.349 . 0 0 "[ . 1 . 2]" 1
1120 1 52 ALA MB 1 53 PHE H . . 3.440 3.243 3.024 3.552 0.112 11 0 "[ . 1 . 2]" 1
1121 1 52 ALA MB 1 54 LYS H . . 5.500 5.643 5.382 5.829 0.329 13 0 "[ . 1 . 2]" 1
1122 1 52 ALA MB 1 71 SER H . . 5.120 5.062 4.894 5.193 0.073 1 0 "[ . 1 . 2]" 1
1123 1 52 ALA MB 1 71 SER HA . . 4.100 3.724 3.601 3.897 . 0 0 "[ . 1 . 2]" 1
1124 1 52 ALA MB 1 71 SER HB2 . . 4.990 3.375 2.706 4.291 . 0 0 "[ . 1 . 2]" 1
1125 1 52 ALA MB 1 71 SER QB . . 4.160 2.782 2.411 3.195 . 0 0 "[ . 1 . 2]" 1
1126 1 52 ALA MB 1 71 SER HB3 . . 4.990 3.323 2.526 4.298 . 0 0 "[ . 1 . 2]" 1
1127 1 52 ALA MB 1 72 CYS H . . 5.500 4.986 4.904 5.085 . 0 0 "[ . 1 . 2]" 1
1128 1 52 ALA MB 1 101 ALA H . . 3.670 3.540 3.373 3.681 0.011 5 0 "[ . 1 . 2]" 1
1129 1 52 ALA MB 1 103 MET ME . . 3.270 2.733 2.382 3.084 . 0 0 "[ . 1 . 2]" 1
1130 1 52 ALA MB 1 103 MET HG2 . . 4.200 3.233 2.819 3.660 . 0 0 "[ . 1 . 2]" 1
1131 1 52 ALA MB 1 103 MET QG . . 3.520 2.357 2.001 2.740 . 0 0 "[ . 1 . 2]" 1
1132 1 52 ALA MB 1 103 MET HG3 . . 4.200 2.433 2.041 2.862 . 0 0 "[ . 1 . 2]" 1
1133 1 52 ALA MB 1 114 LEU QD . . 3.030 1.829 1.634 1.995 . 0 0 "[ . 1 . 2]" 1
1134 1 52 ALA MB 1 117 PHE QB . . 4.880 3.520 3.151 3.866 . 0 0 "[ . 1 . 2]" 1
1135 1 52 ALA MB 1 117 PHE QD . . 3.700 2.128 1.817 2.425 . 0 0 "[ . 1 . 2]" 1
1136 1 52 ALA MB 1 117 PHE QE . . 3.430 1.939 1.771 2.129 . 0 0 "[ . 1 . 2]" 1
1137 1 52 ALA MB 1 117 PHE HZ . . 4.400 3.823 3.498 4.008 . 0 0 "[ . 1 . 2]" 1
1138 1 52 ALA MB 1 118 TRP HD1 . . 4.500 4.012 3.729 4.404 . 0 0 "[ . 1 . 2]" 1
1139 1 52 ALA MB 1 118 TRP HE1 . . 3.590 2.560 2.106 2.980 . 0 0 "[ . 1 . 2]" 1
1140 1 52 ALA MB 1 118 TRP HH2 . . 4.480 4.167 3.758 4.408 . 0 0 "[ . 1 . 2]" 1
1141 1 52 ALA MB 1 118 TRP HZ2 . . 3.530 2.744 2.535 2.976 . 0 0 "[ . 1 . 2]" 1
1142 1 53 PHE H 1 53 PHE QD . . 3.810 2.504 1.968 2.954 . 0 0 "[ . 1 . 2]" 1
1143 1 53 PHE H 1 54 LYS H . . 4.970 4.513 4.444 4.589 . 0 0 "[ . 1 . 2]" 1
1144 1 53 PHE H 1 54 LYS QG . . 5.340 4.121 3.754 4.489 . 0 0 "[ . 1 . 2]" 1
1145 1 53 PHE H 1 70 SER H . . 4.270 3.674 3.308 4.052 . 0 0 "[ . 1 . 2]" 1
1146 1 53 PHE H 1 71 SER HA . . 3.690 2.177 1.933 2.357 . 0 0 "[ . 1 . 2]" 1
1147 1 53 PHE H 1 71 SER QB . . 4.120 3.606 3.322 3.899 . 0 0 "[ . 1 . 2]" 1
1148 1 53 PHE H 1 72 CYS H . . 5.230 4.071 3.237 4.645 . 0 0 "[ . 1 . 2]" 1
1149 1 53 PHE H 1 100 ALA HA . . 5.240 4.520 4.107 4.750 . 0 0 "[ . 1 . 2]" 1
1150 1 53 PHE H 1 114 LEU MD1 . . 5.500 4.194 2.768 5.349 . 0 0 "[ . 1 . 2]" 1
1151 1 53 PHE H 1 114 LEU QD . . 4.260 3.636 2.754 4.193 . 0 0 "[ . 1 . 2]" 1
1152 1 53 PHE H 1 114 LEU MD2 . . 5.500 4.612 4.015 5.653 0.153 11 0 "[ . 1 . 2]" 1
1153 1 53 PHE H 1 118 TRP HZ2 . . 4.350 3.376 3.151 3.922 . 0 0 "[ . 1 . 2]" 1
1154 1 53 PHE HA 1 54 LYS H . . 3.160 2.409 2.291 2.487 . 0 0 "[ . 1 . 2]" 1
1155 1 53 PHE HA 1 54 LYS HA . . 5.260 4.488 4.428 4.528 . 0 0 "[ . 1 . 2]" 1
1156 1 53 PHE HA 1 54 LYS QG . . 5.340 3.852 3.380 4.640 . 0 0 "[ . 1 . 2]" 1
1157 1 53 PHE HA 1 98 ILE MG . . 5.500 4.430 4.206 4.608 . 0 0 "[ . 1 . 2]" 1
1158 1 53 PHE HA 1 100 ALA HA . . 3.560 2.250 2.108 2.465 . 0 0 "[ . 1 . 2]" 1
1159 1 53 PHE HA 1 100 ALA MB . . 3.880 3.408 3.214 3.546 . 0 0 "[ . 1 . 2]" 1
1160 1 53 PHE HA 1 101 ALA H . . 4.450 3.666 3.470 3.882 . 0 0 "[ . 1 . 2]" 1
1161 1 53 PHE HA 1 118 TRP HH2 . . 4.680 3.140 2.843 3.567 . 0 0 "[ . 1 . 2]" 1
1162 1 53 PHE HA 1 118 TRP HZ2 . . 3.690 2.464 1.960 2.875 . 0 0 "[ . 1 . 2]" 1
1163 1 53 PHE HB2 1 54 LYS H . . 3.720 2.743 2.536 3.056 . 0 0 "[ . 1 . 2]" 1
1164 1 53 PHE HB2 1 98 ILE MG . . 4.120 3.182 2.727 3.368 . 0 0 "[ . 1 . 2]" 1
1165 1 53 PHE HB2 1 100 ALA HA . . 4.730 3.845 3.626 4.121 . 0 0 "[ . 1 . 2]" 1
1166 1 53 PHE HB2 1 100 ALA MB . . 4.240 3.571 3.401 3.879 . 0 0 "[ . 1 . 2]" 1
1167 1 53 PHE HB3 1 54 LYS H . . 4.370 4.032 3.895 4.221 . 0 0 "[ . 1 . 2]" 1
1168 1 53 PHE HB3 1 98 ILE MG . . 4.820 4.465 3.966 4.692 . 0 0 "[ . 1 . 2]" 1
1169 1 53 PHE HB3 1 100 ALA HA . . 4.660 3.472 3.054 3.797 . 0 0 "[ . 1 . 2]" 1
1170 1 53 PHE HB3 1 100 ALA MB . . 3.900 3.248 2.896 3.624 . 0 0 "[ . 1 . 2]" 1
1171 1 53 PHE QD 1 54 LYS H . . 4.360 3.239 2.978 3.680 . 0 0 "[ . 1 . 2]" 1
1172 1 53 PHE QD 1 54 LYS HA . . 4.710 3.070 2.749 3.429 . 0 0 "[ . 1 . 2]" 1
1173 1 53 PHE QD 1 55 VAL H . . 4.700 4.105 3.317 4.469 . 0 0 "[ . 1 . 2]" 1
1174 1 53 PHE QD 1 55 VAL QG . . 3.260 2.800 2.313 3.023 . 0 0 "[ . 1 . 2]" 1
1175 1 53 PHE QD 1 70 SER H . . 4.480 3.917 2.940 4.278 . 0 0 "[ . 1 . 2]" 1
1176 1 53 PHE QD 1 71 SER H . . 5.030 4.256 3.990 4.463 . 0 0 "[ . 1 . 2]" 1
1177 1 53 PHE QD 1 71 SER HA . . 4.050 2.185 1.987 2.628 . 0 0 "[ . 1 . 2]" 1
1178 1 53 PHE QD 1 72 CYS H . . 4.190 2.699 2.009 3.345 . 0 0 "[ . 1 . 2]" 1
1179 1 53 PHE QD 1 72 CYS QB . . 4.500 2.863 2.529 3.266 . 0 0 "[ . 1 . 2]" 1
1180 1 53 PHE QD 1 78 ILE MD . . 4.690 3.674 3.425 3.925 . 0 0 "[ . 1 . 2]" 1
1181 1 53 PHE QD 1 78 ILE MG . . 4.330 3.416 2.923 3.680 . 0 0 "[ . 1 . 2]" 1
1182 1 53 PHE QD 1 80 ILE MD . . 3.950 3.332 2.961 3.708 . 0 0 "[ . 1 . 2]" 1
1183 1 53 PHE QD 1 98 ILE MG . . 4.430 3.805 2.961 4.107 . 0 0 "[ . 1 . 2]" 1
1184 1 53 PHE QE 1 55 VAL QG . . 3.890 3.158 2.311 3.531 . 0 0 "[ . 1 . 2]" 1
1185 1 53 PHE QE 1 67 PRO HG2 . . 4.910 2.905 2.381 3.201 . 0 0 "[ . 1 . 2]" 1
1186 1 53 PHE QE 1 67 PRO HG3 . . 5.190 4.404 3.992 4.634 . 0 0 "[ . 1 . 2]" 1
1187 1 53 PHE QE 1 70 SER H . . 4.470 3.805 2.790 4.300 . 0 0 "[ . 1 . 2]" 1
1188 1 53 PHE QE 1 70 SER HB2 . . 5.030 3.661 2.809 4.140 . 0 0 "[ . 1 . 2]" 1
1189 1 53 PHE QE 1 70 SER QB . . 4.380 2.630 2.451 2.899 . 0 0 "[ . 1 . 2]" 1
1190 1 53 PHE QE 1 70 SER HB3 . . 5.030 2.772 2.494 3.891 . 0 0 "[ . 1 . 2]" 1
1191 1 53 PHE QE 1 71 SER H . . 4.000 3.146 2.954 3.468 . 0 0 "[ . 1 . 2]" 1
1192 1 53 PHE QE 1 71 SER HA . . 4.610 3.122 2.741 3.374 . 0 0 "[ . 1 . 2]" 1
1193 1 53 PHE QE 1 72 CYS H . . 4.430 3.738 3.271 4.037 . 0 0 "[ . 1 . 2]" 1
1194 1 53 PHE QE 1 72 CYS QB . . 4.220 2.951 2.600 3.090 . 0 0 "[ . 1 . 2]" 1
1195 1 53 PHE QE 1 78 ILE MD . . 3.380 1.875 1.761 2.050 . 0 0 "[ . 1 . 2]" 1
1196 1 53 PHE QE 1 78 ILE HG12 . . 5.500 3.495 3.078 3.729 . 0 0 "[ . 1 . 2]" 1
1197 1 53 PHE QE 1 78 ILE HG13 . . 5.500 4.402 4.061 4.637 . 0 0 "[ . 1 . 2]" 1
1198 1 53 PHE QE 1 78 ILE MG . . 3.500 2.979 2.255 3.230 . 0 0 "[ . 1 . 2]" 1
1199 1 53 PHE QE 1 80 ILE MD . . 3.310 2.016 1.843 2.503 . 0 0 "[ . 1 . 2]" 1
1200 1 53 PHE QE 1 80 ILE QG . . 5.500 3.371 1.888 3.814 . 0 0 "[ . 1 . 2]" 1
1201 1 53 PHE QE 1 80 ILE MG . . 4.810 3.140 2.988 3.622 . 0 0 "[ . 1 . 2]" 1
1202 1 53 PHE HZ 1 67 PRO QB . . 4.830 3.114 2.815 3.404 . 0 0 "[ . 1 . 2]" 1
1203 1 53 PHE HZ 1 67 PRO HG2 . . 4.550 2.126 1.837 2.356 . 0 0 "[ . 1 . 2]" 1
1204 1 53 PHE HZ 1 67 PRO HG3 . . 4.660 3.446 3.040 3.700 . 0 0 "[ . 1 . 2]" 1
1205 1 53 PHE HZ 1 70 SER H . . 4.760 4.405 3.936 4.903 0.143 15 0 "[ . 1 . 2]" 1
1206 1 53 PHE HZ 1 70 SER HB2 . . 4.480 3.087 2.045 3.633 . 0 0 "[ . 1 . 2]" 1
1207 1 53 PHE HZ 1 70 SER QB . . 3.810 2.252 1.985 2.820 . 0 0 "[ . 1 . 2]" 1
1208 1 53 PHE HZ 1 70 SER HB3 . . 4.480 2.471 1.995 3.630 . 0 0 "[ . 1 . 2]" 1
1209 1 53 PHE HZ 1 71 SER H . . 4.860 4.361 3.960 4.682 . 0 0 "[ . 1 . 2]" 1
1210 1 53 PHE HZ 1 78 ILE MD . . 3.490 1.995 1.959 2.159 . 0 0 "[ . 1 . 2]" 1
1211 1 53 PHE HZ 1 78 ILE HG13 . . 4.970 4.179 3.760 4.437 . 0 0 "[ . 1 . 2]" 1
1212 1 53 PHE HZ 1 78 ILE MG . . 3.700 3.181 2.583 3.553 . 0 0 "[ . 1 . 2]" 1
1213 1 53 PHE HZ 1 80 ILE MD . . 3.730 2.566 2.322 2.853 . 0 0 "[ . 1 . 2]" 1
1214 1 53 PHE HZ 1 80 ILE MG . . 5.280 4.786 4.590 5.064 . 0 0 "[ . 1 . 2]" 1
1215 1 54 LYS H 1 54 LYS QB . . 3.550 2.760 2.599 2.851 . 0 0 "[ . 1 . 2]" 1
1216 1 54 LYS H 1 54 LYS QG . . 4.400 3.437 2.954 3.829 . 0 0 "[ . 1 . 2]" 1
1217 1 54 LYS H 1 55 VAL H . . 5.270 4.277 4.096 4.411 . 0 0 "[ . 1 . 2]" 1
1218 1 54 LYS H 1 55 VAL QG . . 4.880 3.832 3.446 4.063 . 0 0 "[ . 1 . 2]" 1
1219 1 54 LYS H 1 98 ILE MG . . 4.090 3.333 2.964 3.661 . 0 0 "[ . 1 . 2]" 1
1220 1 54 LYS H 1 99 MET H . . 3.650 2.347 2.188 2.468 . 0 0 "[ . 1 . 2]" 1
1221 1 54 LYS H 1 99 MET HB2 . . 4.300 2.516 2.040 3.017 . 0 0 "[ . 1 . 2]" 1
1222 1 54 LYS H 1 99 MET HG3 . . 5.500 4.397 4.089 4.737 . 0 0 "[ . 1 . 2]" 1
1223 1 54 LYS H 1 100 ALA HA . . 4.170 4.093 3.972 4.220 0.050 16 0 "[ . 1 . 2]" 1
1224 1 54 LYS H 1 100 ALA MB . . 4.650 4.434 4.254 4.543 . 0 0 "[ . 1 . 2]" 1
1225 1 54 LYS H 1 118 TRP HH2 . . 4.620 3.941 3.435 4.568 . 0 0 "[ . 1 . 2]" 1
1226 1 54 LYS H 1 118 TRP HZ2 . . 4.090 3.546 3.157 3.895 . 0 0 "[ . 1 . 2]" 1
1227 1 54 LYS HA 1 54 LYS QD . . 4.750 3.907 3.702 4.021 . 0 0 "[ . 1 . 2]" 1
1228 1 54 LYS HA 1 54 LYS QG . . 3.650 2.206 2.113 2.400 . 0 0 "[ . 1 . 2]" 1
1229 1 54 LYS HA 1 55 VAL H . . 3.030 2.281 2.178 2.412 . 0 0 "[ . 1 . 2]" 1
1230 1 54 LYS HA 1 70 SER H . . 4.720 3.620 3.362 4.086 . 0 0 "[ . 1 . 2]" 1
1231 1 54 LYS HA 1 99 MET ME . . 5.370 4.467 4.399 4.565 . 0 0 "[ . 1 . 2]" 1
1232 1 54 LYS QB 1 55 VAL H . . 3.650 3.013 2.610 3.416 . 0 0 "[ . 1 . 2]" 1
1233 1 54 LYS QB 1 69 ASN HA . . 4.390 3.902 3.475 4.161 . 0 0 "[ . 1 . 2]" 1
1234 1 54 LYS QB 1 99 MET H . . 3.920 3.345 3.033 3.649 . 0 0 "[ . 1 . 2]" 1
1235 1 54 LYS QB 1 99 MET HB2 . . 3.610 2.002 1.965 2.140 . 0 0 "[ . 1 . 2]" 1
1236 1 54 LYS QB 1 99 MET HB3 . . 4.790 3.403 3.193 3.584 . 0 0 "[ . 1 . 2]" 1
1237 1 54 LYS QB 1 99 MET ME . . 3.060 1.906 1.849 1.950 . 0 0 "[ . 1 . 2]" 1
1238 1 54 LYS QB 1 99 MET HG3 . . 4.280 3.496 3.221 3.790 . 0 0 "[ . 1 . 2]" 1
1239 1 54 LYS HB2 1 54 LYS HD2 . . 4.140 3.002 2.595 3.319 . 0 0 "[ . 1 . 2]" 1
1240 1 54 LYS HB2 1 54 LYS HD3 . . 4.140 2.819 2.456 3.276 . 0 0 "[ . 1 . 2]" 1
1241 1 54 LYS HB2 1 55 VAL H . . 4.450 4.203 3.924 4.420 . 0 0 "[ . 1 . 2]" 1
1242 1 54 LYS HB3 1 54 LYS HD2 . . 4.140 3.333 2.871 3.633 . 0 0 "[ . 1 . 2]" 1
1243 1 54 LYS HB3 1 54 LYS HD3 . . 4.140 2.272 2.137 2.462 . 0 0 "[ . 1 . 2]" 1
1244 1 54 LYS HB3 1 55 VAL H . . 4.450 3.091 2.649 3.555 . 0 0 "[ . 1 . 2]" 1
1245 1 54 LYS QD 1 99 MET HB2 . . 4.610 4.024 3.857 4.252 . 0 0 "[ . 1 . 2]" 1
1246 1 54 LYS QD 1 99 MET ME . . 3.050 2.146 1.862 2.449 . 0 0 "[ . 1 . 2]" 1
1247 1 54 LYS QE 1 54 LYS QG . . 3.280 2.075 1.945 2.243 . 0 0 "[ . 1 . 2]" 1
1248 1 54 LYS QE 1 99 MET ME . . 4.640 3.895 3.572 4.048 . 0 0 "[ . 1 . 2]" 1
1249 1 54 LYS QE 1 118 TRP HD1 . . 4.070 2.532 1.991 3.698 . 0 0 "[ . 1 . 2]" 1
1250 1 54 LYS HE2 1 118 TRP HD1 . . 4.680 3.684 2.800 4.469 . 0 0 "[ . 1 . 2]" 1
1251 1 54 LYS HE2 1 118 TRP HE1 . . 5.140 3.287 2.229 4.616 . 0 0 "[ . 1 . 2]" 1
1252 1 54 LYS HE3 1 118 TRP HD1 . . 4.680 2.632 2.000 3.995 . 0 0 "[ . 1 . 2]" 1
1253 1 54 LYS HE3 1 118 TRP HE1 . . 5.140 3.216 2.076 4.969 . 0 0 "[ . 1 . 2]" 1
1254 1 54 LYS QG 1 69 ASN HA . . 3.960 2.115 1.906 2.726 . 0 0 "[ . 1 . 2]" 1
1255 1 54 LYS QG 1 69 ASN QB . . 4.860 3.309 1.992 4.383 . 0 0 "[ . 1 . 2]" 1
1256 1 54 LYS QG 1 70 SER H . . 4.720 3.114 2.809 3.585 . 0 0 "[ . 1 . 2]" 1
1257 1 54 LYS QG 1 118 TRP HE1 . . 4.340 2.456 1.922 2.940 . 0 0 "[ . 1 . 2]" 1
1258 1 54 LYS QG 1 118 TRP HZ2 . . 4.500 2.409 1.980 4.000 . 0 0 "[ . 1 . 2]" 1
1259 1 55 VAL H 1 55 VAL HB . . 3.560 2.546 2.417 2.795 . 0 0 "[ . 1 . 2]" 1
1260 1 55 VAL H 1 55 VAL QG . . 3.550 2.667 2.336 2.857 . 0 0 "[ . 1 . 2]" 1
1261 1 55 VAL H 1 56 ARG H . . 4.570 4.317 4.056 4.525 . 0 0 "[ . 1 . 2]" 1
1262 1 55 VAL H 1 65 VAL QG . . 5.350 3.839 3.451 4.299 . 0 0 "[ . 1 . 2]" 1
1263 1 55 VAL H 1 68 SER HA . . 4.110 2.896 2.546 3.246 . 0 0 "[ . 1 . 2]" 1
1264 1 55 VAL H 1 68 SER QB . . 4.190 3.351 2.963 3.676 . 0 0 "[ . 1 . 2]" 1
1265 1 55 VAL H 1 69 ASN HA . . 4.700 4.179 3.559 4.616 . 0 0 "[ . 1 . 2]" 1
1266 1 55 VAL H 1 80 ILE MG . . 5.500 4.456 4.063 4.754 . 0 0 "[ . 1 . 2]" 1
1267 1 55 VAL HA 1 55 VAL HB . . 2.700 3.024 3.023 3.026 0.326 17 0 "[ . 1 . 2]" 1
1268 1 55 VAL HA 1 55 VAL QG . . 3.200 2.084 2.053 2.108 . 0 0 "[ . 1 . 2]" 1
1269 1 55 VAL HA 1 56 ARG H . . 3.070 2.191 2.182 2.243 . 0 0 "[ . 1 . 2]" 1
1270 1 55 VAL HA 1 98 ILE HA . . 3.750 2.252 2.075 2.418 . 0 0 "[ . 1 . 2]" 1
1271 1 55 VAL HA 1 98 ILE MD . . 5.040 4.359 4.254 4.452 . 0 0 "[ . 1 . 2]" 1
1272 1 55 VAL HA 1 98 ILE HG12 . . 4.720 3.452 3.151 3.704 . 0 0 "[ . 1 . 2]" 1
1273 1 55 VAL HA 1 98 ILE MG . . 4.420 3.772 3.485 4.065 . 0 0 "[ . 1 . 2]" 1
1274 1 55 VAL HA 1 99 MET H . . 4.130 3.451 3.182 3.630 . 0 0 "[ . 1 . 2]" 1
1275 1 55 VAL HB 1 56 ARG H . . 4.000 4.336 4.096 4.493 0.493 20 0 "[ . 1 . 2]" 1
1276 1 55 VAL HB 1 65 VAL QG . . 3.250 2.002 1.779 2.238 . 0 0 "[ . 1 . 2]" 1
1277 1 55 VAL HB 1 68 SER HA . . 3.820 2.566 1.974 3.138 . 0 0 "[ . 1 . 2]" 1
1278 1 55 VAL HB 1 68 SER QB . . 4.740 2.968 2.527 3.298 . 0 0 "[ . 1 . 2]" 1
1279 1 55 VAL HB 1 98 ILE HA . . 4.000 5.118 4.857 5.303 1.303 10 20 [*****-***+**********] 1
1280 1 55 VAL QG 1 56 ARG H . . 3.380 2.828 2.311 3.133 . 0 0 "[ . 1 . 2]" 1
1281 1 55 VAL QG 1 56 ARG HA . . 4.030 3.688 3.471 3.845 . 0 0 "[ . 1 . 2]" 1
1282 1 55 VAL QG 1 65 VAL QG . . 2.740 1.861 1.624 2.159 . 0 0 "[ . 1 . 2]" 1
1283 1 55 VAL QG 1 68 SER HA . . 3.770 2.814 2.284 3.290 . 0 0 "[ . 1 . 2]" 1
1284 1 55 VAL QG 1 68 SER HB2 . . 5.500 3.819 3.454 4.192 . 0 0 "[ . 1 . 2]" 1
1285 1 55 VAL QG 1 68 SER QB . . 5.100 3.507 3.239 3.778 . 0 0 "[ . 1 . 2]" 1
1286 1 55 VAL QG 1 68 SER HB3 . . 5.500 4.114 3.852 4.479 . 0 0 "[ . 1 . 2]" 1
1287 1 55 VAL QG 1 80 ILE MD . . 3.410 3.064 3.006 3.116 . 0 0 "[ . 1 . 2]" 1
1288 1 55 VAL QG 1 80 ILE QG . . 3.580 2.711 1.844 3.134 . 0 0 "[ . 1 . 2]" 1
1289 1 55 VAL QG 1 80 ILE MG . . 3.100 1.797 1.663 2.047 . 0 0 "[ . 1 . 2]" 1
1290 1 55 VAL QG 1 96 PHE HB2 . . 5.330 5.011 4.700 5.166 . 0 0 "[ . 1 . 2]" 1
1291 1 55 VAL QG 1 96 PHE HB3 . . 4.140 3.653 3.358 3.826 . 0 0 "[ . 1 . 2]" 1
1292 1 55 VAL QG 1 96 PHE QD . . 3.660 2.899 2.556 3.404 . 0 0 "[ . 1 . 2]" 1
1293 1 55 VAL QG 1 97 LEU H . . 4.120 3.544 3.197 4.197 0.077 3 0 "[ . 1 . 2]" 1
1294 1 55 VAL QG 1 98 ILE HA . . 3.950 2.962 2.757 3.147 . 0 0 "[ . 1 . 2]" 1
1295 1 55 VAL QG 1 98 ILE MD . . 3.780 2.868 2.534 3.045 . 0 0 "[ . 1 . 2]" 1
1296 1 55 VAL QG 1 98 ILE HG12 . . 3.780 2.191 1.970 2.450 . 0 0 "[ . 1 . 2]" 1
1297 1 55 VAL QG 1 98 ILE HG13 . . 4.400 2.221 1.937 2.445 . 0 0 "[ . 1 . 2]" 1
1298 1 55 VAL QG 1 98 ILE MG . . 3.480 2.765 2.441 3.185 . 0 0 "[ . 1 . 2]" 1
1299 1 55 VAL QG 1 99 MET H . . 4.500 3.744 3.348 4.071 . 0 0 "[ . 1 . 2]" 1
1300 1 56 ARG H 1 56 ARG HB2 . . 3.990 2.887 2.301 3.846 . 0 0 "[ . 1 . 2]" 1
1301 1 56 ARG H 1 56 ARG HB3 . . 3.990 3.300 2.539 3.842 . 0 0 "[ . 1 . 2]" 1
1302 1 56 ARG H 1 56 ARG QG . . 3.870 3.437 1.933 4.156 0.286 3 0 "[ . 1 . 2]" 1
1303 1 56 ARG H 1 97 LEU H . . 3.810 3.020 2.617 3.531 . 0 0 "[ . 1 . 2]" 1
1304 1 56 ARG H 1 97 LEU HB2 . . 5.380 4.714 4.673 4.803 . 0 0 "[ . 1 . 2]" 1
1305 1 56 ARG H 1 97 LEU HB3 . . 4.380 3.180 3.115 3.406 . 0 0 "[ . 1 . 2]" 1
1306 1 56 ARG H 1 97 LEU QD . . 4.290 3.166 2.221 4.192 . 0 0 "[ . 1 . 2]" 1
1307 1 56 ARG H 1 98 ILE HA . . 4.330 3.223 2.938 3.524 . 0 0 "[ . 1 . 2]" 1
1308 1 56 ARG HA 1 56 ARG QD . . 4.210 3.753 3.504 3.953 . 0 0 "[ . 1 . 2]" 1
1309 1 56 ARG HA 1 56 ARG QG . . 3.680 2.435 2.102 3.414 . 0 0 "[ . 1 . 2]" 1
1310 1 56 ARG HA 1 57 THR H . . 3.550 2.493 2.261 2.631 . 0 0 "[ . 1 . 2]" 1
1311 1 56 ARG HA 1 57 THR MG . . 4.150 3.416 2.969 3.721 . 0 0 "[ . 1 . 2]" 1
1312 1 56 ARG QB 1 57 THR H . . 3.880 2.737 2.189 3.701 . 0 0 "[ . 1 . 2]" 1
1313 1 56 ARG QB 1 97 LEU QD . . 3.790 2.415 1.927 3.550 . 0 0 "[ . 1 . 2]" 1
1314 1 56 ARG HB2 1 56 ARG QD . . 3.750 2.440 1.953 3.177 . 0 0 "[ . 1 . 2]" 1
1315 1 56 ARG HB2 1 57 THR H . . 4.560 3.635 2.278 4.222 . 0 0 "[ . 1 . 2]" 1
1316 1 56 ARG HB2 1 97 LEU HB3 . . 4.410 3.145 1.983 4.410 0.000 7 0 "[ . 1 . 2]" 1
1317 1 56 ARG HB3 1 56 ARG QD . . 3.750 2.699 1.968 3.262 . 0 0 "[ . 1 . 2]" 1
1318 1 56 ARG HB3 1 57 THR H . . 4.560 3.075 2.210 4.093 . 0 0 "[ . 1 . 2]" 1
1319 1 56 ARG HB3 1 97 LEU HB3 . . 4.410 3.203 2.086 4.515 0.105 16 0 "[ . 1 . 2]" 1
1320 1 56 ARG QD 1 97 LEU QD . . 3.820 2.470 1.934 3.265 . 0 0 "[ . 1 . 2]" 1
1321 1 56 ARG QD 1 99 MET ME . . 3.890 4.383 2.513 6.629 2.739 16 8 "[ * . ***1* .+ - *]" 1
1322 1 56 ARG QG 1 57 THR H . . 4.500 3.178 1.951 4.121 . 0 0 "[ . 1 . 2]" 1
1323 1 56 ARG QG 1 97 LEU QD . . 4.670 3.496 1.768 4.234 . 0 0 "[ . 1 . 2]" 1
1324 1 57 THR H 1 57 THR MG . . 3.520 2.416 2.088 2.629 . 0 0 "[ . 1 . 2]" 1
1325 1 57 THR HA 1 57 THR HG1 . . 4.050 3.064 2.651 3.570 . 0 0 "[ . 1 . 2]" 1
1326 1 57 THR HA 1 58 THR H . . 3.310 2.493 2.376 2.579 . 0 0 "[ . 1 . 2]" 1
1327 1 57 THR HA 1 58 THR HA . . 4.850 4.295 4.275 4.310 . 0 0 "[ . 1 . 2]" 1
1328 1 57 THR HA 1 58 THR MG . . 4.450 3.252 3.100 3.541 . 0 0 "[ . 1 . 2]" 1
1329 1 57 THR HA 1 59 ALA H . . 4.660 3.939 3.818 4.048 . 0 0 "[ . 1 . 2]" 1
1330 1 57 THR HA 1 96 PHE HA . . 3.470 2.617 2.195 2.896 . 0 0 "[ . 1 . 2]" 1
1331 1 57 THR HA 1 96 PHE QD . . 5.170 4.342 3.786 4.774 . 0 0 "[ . 1 . 2]" 1
1332 1 57 THR HA 1 97 LEU H . . 3.870 3.198 2.774 3.460 . 0 0 "[ . 1 . 2]" 1
1333 1 57 THR HB 1 58 THR H . . 4.040 3.754 3.644 3.820 . 0 0 "[ . 1 . 2]" 1
1334 1 57 THR HB 1 59 ALA H . . 4.500 4.083 3.941 4.212 . 0 0 "[ . 1 . 2]" 1
1335 1 57 THR HB 1 63 TYR HD2 . . 5.280 4.239 3.631 4.737 . 0 0 "[ . 1 . 2]" 1
1336 1 57 THR HB 1 65 VAL QG . . 4.370 3.630 3.130 4.016 . 0 0 "[ . 1 . 2]" 1
1337 1 57 THR HB 1 96 PHE HA . . 4.230 2.557 2.044 2.929 . 0 0 "[ . 1 . 2]" 1
1338 1 57 THR HB 1 96 PHE QD . . 3.970 2.557 2.058 3.095 . 0 0 "[ . 1 . 2]" 1
1339 1 57 THR HB 1 96 PHE QE . . 4.180 3.403 2.856 3.904 . 0 0 "[ . 1 . 2]" 1
1340 1 57 THR HG1 1 58 THR H . . 3.870 2.291 1.911 3.032 . 0 0 "[ . 1 . 2]" 1
1341 1 57 THR HG1 1 59 ALA H . . 3.780 2.539 1.897 3.333 . 0 0 "[ . 1 . 2]" 1
1342 1 57 THR MG 1 58 THR H . . 4.240 3.525 3.364 3.845 . 0 0 "[ . 1 . 2]" 1
1343 1 57 THR MG 1 59 ALA H . . 3.470 2.075 1.880 2.508 . 0 0 "[ . 1 . 2]" 1
1344 1 57 THR MG 1 59 ALA HA . . 4.470 3.947 3.795 4.180 . 0 0 "[ . 1 . 2]" 1
1345 1 57 THR MG 1 59 ALA MB . . 4.480 3.445 3.138 3.907 . 0 0 "[ . 1 . 2]" 1
1346 1 57 THR MG 1 60 PRO HA . . 3.190 2.434 2.011 2.766 . 0 0 "[ . 1 . 2]" 1
1347 1 57 THR MG 1 60 PRO QB . . 3.680 2.854 2.075 3.356 . 0 0 "[ . 1 . 2]" 1
1348 1 57 THR MG 1 60 PRO HD2 . . 4.540 4.160 3.741 4.432 . 0 0 "[ . 1 . 2]" 1
1349 1 57 THR MG 1 60 PRO HD3 . . 4.060 3.087 2.683 3.399 . 0 0 "[ . 1 . 2]" 1
1350 1 57 THR MG 1 60 PRO QG . . 5.310 3.589 2.915 4.019 . 0 0 "[ . 1 . 2]" 1
1351 1 57 THR MG 1 63 TYR H . . 4.170 3.641 3.425 3.964 . 0 0 "[ . 1 . 2]" 1
1352 1 57 THR MG 1 63 TYR QB . . 3.720 2.533 2.239 2.802 . 0 0 "[ . 1 . 2]" 1
1353 1 57 THR MG 1 63 TYR HD2 . . 3.770 2.390 1.987 2.963 . 0 0 "[ . 1 . 2]" 1
1354 1 57 THR MG 1 63 TYR QE . . 5.210 4.209 3.859 4.687 . 0 0 "[ . 1 . 2]" 1
1355 1 57 THR MG 1 96 PHE QD . . 4.090 3.674 3.121 3.938 . 0 0 "[ . 1 . 2]" 1
1356 1 57 THR MG 1 96 PHE QE . . 4.240 3.249 2.951 3.589 . 0 0 "[ . 1 . 2]" 1
1357 1 57 THR MG 1 96 PHE HZ . . 4.940 4.485 4.040 4.819 . 0 0 "[ . 1 . 2]" 1
1358 1 58 THR H 1 58 THR MG . . 3.480 2.142 1.935 2.599 . 0 0 "[ . 1 . 2]" 1
1359 1 58 THR H 1 59 ALA H . . 3.210 2.702 2.559 2.862 . 0 0 "[ . 1 . 2]" 1
1360 1 58 THR H 1 95 ARG H . . 4.140 3.209 2.673 3.937 . 0 0 "[ . 1 . 2]" 1
1361 1 58 THR HA 1 58 THR MG . . 3.190 2.538 2.363 2.611 . 0 0 "[ . 1 . 2]" 1
1362 1 58 THR HA 1 59 ALA HA . . 5.300 4.376 4.338 4.434 . 0 0 "[ . 1 . 2]" 1
1363 1 58 THR HA 1 59 ALA MB . . 4.910 4.455 4.278 4.553 . 0 0 "[ . 1 . 2]" 1
1364 1 58 THR HA 1 60 PRO HD3 . . 4.890 3.573 3.509 3.655 . 0 0 "[ . 1 . 2]" 1
1365 1 58 THR HG1 1 94 ASP HA . . 4.230 3.064 2.528 3.691 . 0 0 "[ . 1 . 2]" 1
1366 1 58 THR HG1 1 95 ARG H . . 4.220 2.917 2.022 3.927 . 0 0 "[ . 1 . 2]" 1
1367 1 58 THR MG 1 59 ALA H . . 4.630 4.112 3.863 4.344 . 0 0 "[ . 1 . 2]" 1
1368 1 58 THR MG 1 94 ASP HA . . 4.640 3.982 3.531 4.529 . 0 0 "[ . 1 . 2]" 1
1369 1 58 THR MG 1 95 ARG H . . 3.760 2.562 2.073 3.309 . 0 0 "[ . 1 . 2]" 1
1370 1 58 THR MG 1 95 ARG HA . . 5.100 4.344 3.950 4.749 . 0 0 "[ . 1 . 2]" 1
1371 1 58 THR MG 1 95 ARG QB . . 3.300 2.210 1.926 2.447 . 0 0 "[ . 1 . 2]" 1
1372 1 58 THR MG 1 95 ARG QG . . 4.600 3.743 3.412 3.987 . 0 0 "[ . 1 . 2]" 1
1373 1 59 ALA H 1 59 ALA MB . . 3.170 2.743 2.633 2.890 . 0 0 "[ . 1 . 2]" 1
1374 1 59 ALA H 1 60 PRO HD2 . . 4.790 3.915 3.607 4.102 . 0 0 "[ . 1 . 2]" 1
1375 1 59 ALA H 1 60 PRO HD3 . . 4.190 2.658 2.277 2.895 . 0 0 "[ . 1 . 2]" 1
1376 1 59 ALA HA 1 60 PRO HD2 . . 3.150 2.292 2.274 2.317 . 0 0 "[ . 1 . 2]" 1
1377 1 59 ALA HA 1 60 PRO HD3 . . 3.280 2.534 2.499 2.579 . 0 0 "[ . 1 . 2]" 1
1378 1 59 ALA HA 1 60 PRO QG . . 4.100 4.081 4.060 4.110 0.010 17 0 "[ . 1 . 2]" 1
1379 1 59 ALA HA 1 61 GLU H . . 4.430 3.059 2.965 3.305 . 0 0 "[ . 1 . 2]" 1
1380 1 59 ALA MB 1 60 PRO HD2 . . 4.010 3.926 3.896 3.956 . 0 0 "[ . 1 . 2]" 1
1381 1 59 ALA MB 1 60 PRO HD3 . . 4.330 3.940 3.939 3.940 . 0 0 "[ . 1 . 2]" 1
1382 1 59 ALA MB 1 60 PRO QG . . 4.920 5.051 5.042 5.062 0.142 17 0 "[ . 1 . 2]" 1
1383 1 59 ALA MB 1 61 GLU H . . 4.530 3.560 3.162 4.005 . 0 0 "[ . 1 . 2]" 1
1384 1 59 ALA MB 1 62 LYS H . . 3.720 3.570 3.063 4.857 1.137 11 2 "[ . 1+ . - 2]" 1
1385 1 59 ALA MB 1 62 LYS QD . . 3.780 1.864 1.673 2.149 . 0 0 "[ . 1 . 2]" 1
1386 1 59 ALA MB 1 62 LYS HE2 . . 3.890 3.230 2.570 3.853 . 0 0 "[ . 1 . 2]" 1
1387 1 59 ALA MB 1 62 LYS HE3 . . 3.890 3.466 1.833 3.820 . 0 0 "[ . 1 . 2]" 1
1388 1 59 ALA MB 1 63 TYR HD2 . . 3.670 2.670 1.972 3.302 . 0 0 "[ . 1 . 2]" 1
1389 1 59 ALA MB 1 63 TYR QE . . 3.440 2.291 1.943 3.226 . 0 0 "[ . 1 . 2]" 1
1390 1 60 PRO HA 1 62 LYS H . . 4.210 3.434 3.243 3.651 . 0 0 "[ . 1 . 2]" 1
1391 1 60 PRO HA 1 63 TYR H . . 4.020 3.552 3.188 3.941 . 0 0 "[ . 1 . 2]" 1
1392 1 60 PRO HD2 1 61 GLU H . . 4.190 2.532 2.271 2.886 . 0 0 "[ . 1 . 2]" 1
1393 1 60 PRO HD2 1 62 LYS H . . 5.340 4.941 4.274 5.752 0.412 11 0 "[ . 1 . 2]" 1
1394 1 60 PRO HD3 1 61 GLU H . . 4.760 3.752 3.656 3.918 . 0 0 "[ . 1 . 2]" 1
1395 1 60 PRO QG 1 61 GLU H . . 3.370 3.459 2.988 3.870 0.500 7 1 "[ . + 1 . 2]" 1
1396 1 61 GLU H 1 61 GLU HB2 . . 3.750 3.672 3.586 3.819 0.069 7 0 "[ . 1 . 2]" 1
1397 1 61 GLU H 1 61 GLU QB . . 3.280 2.773 2.568 2.955 . 0 0 "[ . 1 . 2]" 1
1398 1 61 GLU H 1 61 GLU HB3 . . 3.750 2.873 2.627 3.094 . 0 0 "[ . 1 . 2]" 1
1399 1 61 GLU H 1 61 GLU HG2 . . 4.370 2.018 1.952 2.300 . 0 0 "[ . 1 . 2]" 1
1400 1 61 GLU H 1 61 GLU QG . . 3.710 1.987 1.877 2.272 . 0 0 "[ . 1 . 2]" 1
1401 1 61 GLU H 1 61 GLU HG3 . . 4.370 3.016 2.404 3.534 . 0 0 "[ . 1 . 2]" 1
1402 1 61 GLU H 1 62 LYS H . . 3.440 2.686 2.194 3.297 . 0 0 "[ . 1 . 2]" 1
1403 1 61 GLU H 1 62 LYS HB2 . . 4.780 4.294 3.837 5.765 0.985 11 2 "[ . 1+ . - 2]" 1
1404 1 61 GLU H 1 63 TYR H . . 4.650 4.173 3.816 4.499 . 0 0 "[ . 1 . 2]" 1
1405 1 61 GLU HA 1 61 GLU HG2 . . 4.010 3.744 3.704 3.776 . 0 0 "[ . 1 . 2]" 1
1406 1 61 GLU HA 1 61 GLU QG . . 3.490 3.330 3.312 3.333 . 0 0 "[ . 1 . 2]" 1
1407 1 61 GLU HA 1 61 GLU HG3 . . 4.010 3.732 3.693 3.779 . 0 0 "[ . 1 . 2]" 1
1408 1 61 GLU QG 1 62 LYS H . . 4.560 3.595 3.281 4.026 . 0 0 "[ . 1 . 2]" 1
1409 1 61 GLU QG 1 62 LYS QG . . 4.230 2.234 1.979 2.864 . 0 0 "[ . 1 . 2]" 1
1410 1 62 LYS H 1 62 LYS HB2 . . 3.670 2.818 2.502 3.957 0.287 17 0 "[ . 1 . 2]" 1
1411 1 62 LYS H 1 62 LYS HB3 . . 3.620 3.770 3.577 3.864 0.244 7 0 "[ . 1 . 2]" 1
1412 1 62 LYS H 1 62 LYS QE . . 5.340 5.102 4.696 5.629 0.289 1 0 "[ . 1 . 2]" 1
1413 1 62 LYS H 1 62 LYS HG2 . . 4.530 4.206 2.742 4.455 . 0 0 "[ . 1 . 2]" 1
1414 1 62 LYS H 1 62 LYS QG . . 3.890 3.124 2.551 3.483 . 0 0 "[ . 1 . 2]" 1
1415 1 62 LYS H 1 62 LYS HG3 . . 4.530 3.245 2.699 3.646 . 0 0 "[ . 1 . 2]" 1
1416 1 62 LYS H 1 63 TYR H . . 3.150 1.900 1.847 2.002 . 0 0 "[ . 1 . 2]" 1
1417 1 62 LYS H 1 63 TYR QB . . 5.020 4.015 3.839 4.158 . 0 0 "[ . 1 . 2]" 1
1418 1 62 LYS HA 1 62 LYS QG . . 3.640 2.424 2.163 3.295 . 0 0 "[ . 1 . 2]" 1
1419 1 62 LYS HA 1 85 HIS H . . 4.660 3.769 3.355 4.249 . 0 0 "[ . 1 . 2]" 1
1420 1 62 LYS HA 1 85 HIS HD2 . . 4.040 2.219 1.983 3.918 . 0 0 "[ . 1 . 2]" 1
1421 1 62 LYS HA 1 88 LEU QD . . 3.570 2.946 1.903 3.292 . 0 0 "[ . 1 . 2]" 1
1422 1 62 LYS HB2 1 62 LYS QE . . 4.250 3.055 2.270 4.083 . 0 0 "[ . 1 . 2]" 1
1423 1 62 LYS HB2 1 63 TYR H . . 4.010 2.791 2.606 3.681 . 0 0 "[ . 1 . 2]" 1
1424 1 62 LYS HB2 1 63 TYR HD2 . . 4.690 3.632 3.085 4.838 0.148 11 0 "[ . 1 . 2]" 1
1425 1 62 LYS HB2 1 63 TYR QE . . 4.400 3.809 3.414 4.537 0.137 17 0 "[ . 1 . 2]" 1
1426 1 62 LYS HB2 1 88 LEU QD . . 4.950 3.486 2.023 4.333 . 0 0 "[ . 1 . 2]" 1
1427 1 62 LYS HB3 1 62 LYS HE2 . . 4.880 3.212 2.019 4.627 . 0 0 "[ . 1 . 2]" 1
1428 1 62 LYS HB3 1 62 LYS HE3 . . 4.880 3.269 1.978 4.685 . 0 0 "[ . 1 . 2]" 1
1429 1 62 LYS HB3 1 63 TYR H . . 4.100 3.651 3.382 4.230 0.130 11 0 "[ . 1 . 2]" 1
1430 1 62 LYS HB3 1 63 TYR QE . . 5.000 4.232 3.702 5.539 0.539 17 1 "[ . 1 . + 2]" 1
1431 1 62 LYS QD 1 63 TYR QE . . 4.210 3.962 1.989 4.248 0.038 20 0 "[ . 1 . 2]" 1
1432 1 62 LYS QD 1 88 LEU QD . . 4.010 3.307 2.298 4.113 0.103 6 0 "[ . 1 . 2]" 1
1433 1 62 LYS QG 1 88 LEU QD . . 3.950 2.494 1.794 3.673 . 0 0 "[ . 1 . 2]" 1
1434 1 63 TYR H 1 63 TYR QB . . 3.730 2.364 2.231 2.487 . 0 0 "[ . 1 . 2]" 1
1435 1 63 TYR H 1 64 ARG H . . 4.650 4.460 4.368 4.568 . 0 0 "[ . 1 . 2]" 1
1436 1 63 TYR HA 1 63 TYR HD1 . . 4.080 2.638 2.388 2.891 . 0 0 "[ . 1 . 2]" 1
1437 1 63 TYR HA 1 64 ARG H . . 3.100 2.207 2.187 2.287 . 0 0 "[ . 1 . 2]" 1
1438 1 63 TYR HA 1 82 VAL QG . . 4.840 4.176 3.854 4.407 . 0 0 "[ . 1 . 2]" 1
1439 1 63 TYR HA 1 85 HIS H . . 4.360 3.521 2.198 3.969 . 0 0 "[ . 1 . 2]" 1
1440 1 63 TYR QB 1 64 ARG H . . 3.940 3.322 2.961 3.529 . 0 0 "[ . 1 . 2]" 1
1441 1 63 TYR QB 1 64 ARG QG . . 5.500 5.750 5.142 5.914 0.414 11 0 "[ . 1 . 2]" 1
1442 1 63 TYR QB 1 65 VAL QG . . 3.970 2.659 2.444 2.911 . 0 0 "[ . 1 . 2]" 1
1443 1 63 TYR QB 1 82 VAL QG . . 3.920 2.490 2.238 2.799 . 0 0 "[ . 1 . 2]" 1
1444 1 63 TYR QB 1 84 PRO HA . . 4.910 3.725 3.382 4.145 . 0 0 "[ . 1 . 2]" 1
1445 1 63 TYR HD1 1 64 ARG H . . 4.450 4.349 3.917 4.530 0.080 14 0 "[ . 1 . 2]" 1
1446 1 63 TYR HD1 1 65 VAL QG . . 5.440 5.196 4.835 5.659 0.219 7 0 "[ . 1 . 2]" 1
1447 1 63 TYR HD1 1 82 VAL QG . . 3.650 3.611 2.917 4.552 0.902 7 2 "[ . + 1 - . 2]" 1
1448 1 63 TYR HD1 1 84 PRO HA . . 4.300 2.458 1.997 3.468 . 0 0 "[ . 1 . 2]" 1
1449 1 63 TYR HD1 1 84 PRO QB . . 4.830 2.237 1.974 2.617 . 0 0 "[ . 1 . 2]" 1
1450 1 63 TYR HD2 1 65 VAL QG . . 5.440 4.500 4.415 4.529 . 0 0 "[ . 1 . 2]" 1
1451 1 63 TYR QE 1 82 VAL QG . . 4.950 4.805 4.292 5.420 0.470 7 0 "[ . 1 . 2]" 1
1452 1 63 TYR QE 1 84 PRO QB . . 4.530 2.498 2.011 3.078 . 0 0 "[ . 1 . 2]" 1
1453 1 63 TYR QE 1 84 PRO QG . . 4.410 3.656 2.678 4.577 0.167 13 0 "[ . 1 . 2]" 1
1454 1 63 TYR QE 1 90 VAL HA . . 5.190 2.513 1.989 3.396 . 0 0 "[ . 1 . 2]" 1
1455 1 63 TYR QE 1 90 VAL MG1 . . 3.970 3.266 1.870 4.396 0.426 3 0 "[ . 1 . 2]" 1
1456 1 63 TYR QE 1 90 VAL MG2 . . 3.970 3.280 1.994 4.778 0.808 7 1 "[ . + 1 . 2]" 1
1457 1 63 TYR QE 1 94 ASP HB2 . . 4.670 2.689 2.002 4.259 . 0 0 "[ . 1 . 2]" 1
1458 1 63 TYR QE 1 94 ASP QB . . 4.010 2.468 1.981 3.318 . 0 0 "[ . 1 . 2]" 1
1459 1 63 TYR QE 1 94 ASP HB3 . . 4.670 3.178 2.084 4.225 . 0 0 "[ . 1 . 2]" 1
1460 1 64 ARG H 1 64 ARG QB . . 3.420 2.258 2.111 2.342 . 0 0 "[ . 1 . 2]" 1
1461 1 64 ARG H 1 64 ARG QG . . 4.050 3.896 3.094 4.016 . 0 0 "[ . 1 . 2]" 1
1462 1 64 ARG H 1 65 VAL H . . 4.550 4.297 4.106 4.485 . 0 0 "[ . 1 . 2]" 1
1463 1 64 ARG H 1 65 VAL QG . . 4.590 4.034 3.809 4.166 . 0 0 "[ . 1 . 2]" 1
1464 1 64 ARG H 1 82 VAL QG . . 4.450 4.160 3.717 4.610 0.160 8 0 "[ . 1 . 2]" 1
1465 1 64 ARG H 1 83 SER H . . 3.830 3.066 2.723 3.544 . 0 0 "[ . 1 . 2]" 1
1466 1 64 ARG H 1 83 SER QB . . 4.500 4.075 3.859 4.331 . 0 0 "[ . 1 . 2]" 1
1467 1 64 ARG H 1 84 PRO HA . . 4.480 3.240 2.572 3.686 . 0 0 "[ . 1 . 2]" 1
1468 1 64 ARG H 1 85 HIS H . . 5.430 4.707 3.327 4.957 . 0 0 "[ . 1 . 2]" 1
1469 1 64 ARG HA 1 64 ARG HD2 . . 4.880 3.832 2.566 4.439 . 0 0 "[ . 1 . 2]" 1
1470 1 64 ARG HA 1 64 ARG QD . . 4.210 3.459 2.523 3.955 . 0 0 "[ . 1 . 2]" 1
1471 1 64 ARG HA 1 64 ARG HD3 . . 4.880 4.035 3.301 4.439 . 0 0 "[ . 1 . 2]" 1
1472 1 64 ARG HA 1 64 ARG QG . . 3.770 2.277 2.021 2.583 . 0 0 "[ . 1 . 2]" 1
1473 1 64 ARG HA 1 65 VAL H . . 3.080 2.253 2.225 2.300 . 0 0 "[ . 1 . 2]" 1
1474 1 64 ARG HA 1 65 VAL QG . . 3.880 3.361 3.164 3.597 . 0 0 "[ . 1 . 2]" 1
1475 1 64 ARG QB 1 83 SER H . . 3.920 2.868 2.299 3.328 . 0 0 "[ . 1 . 2]" 1
1476 1 64 ARG QB 1 83 SER QB . . 3.950 3.103 2.385 3.695 . 0 0 "[ . 1 . 2]" 1
1477 1 64 ARG HB2 1 65 VAL H . . 4.700 4.607 4.484 4.681 . 0 0 "[ . 1 . 2]" 1
1478 1 64 ARG HB3 1 65 VAL H . . 4.700 4.326 3.608 4.499 . 0 0 "[ . 1 . 2]" 1
1479 1 64 ARG QG 1 65 VAL H . . 4.750 3.298 2.763 4.049 . 0 0 "[ . 1 . 2]" 1
1480 1 64 ARG QG 1 83 SER H . . 5.040 4.624 3.761 5.359 0.319 9 0 "[ . 1 . 2]" 1
1481 1 65 VAL H 1 65 VAL HB . . 3.620 3.097 2.467 3.737 0.117 13 0 "[ . 1 . 2]" 1
1482 1 65 VAL H 1 65 VAL QG . . 3.530 2.021 1.851 2.366 . 0 0 "[ . 1 . 2]" 1
1483 1 65 VAL HA 1 65 VAL HB . . 2.700 2.665 2.235 3.025 0.325 2 0 "[ . 1 . 2]" 1
1484 1 65 VAL HA 1 66 LYS H . . 3.040 2.196 2.182 2.239 . 0 0 "[ . 1 . 2]" 1
1485 1 65 VAL HA 1 82 VAL HA . . 3.690 2.653 2.480 2.897 . 0 0 "[ . 1 . 2]" 1
1486 1 65 VAL HA 1 82 VAL HB . . 4.000 5.141 4.916 5.389 1.389 9 20 [********+********-**] 1
1487 1 65 VAL HA 1 82 VAL QG . . 4.010 2.606 2.294 3.044 . 0 0 "[ . 1 . 2]" 1
1488 1 65 VAL HB 1 66 LYS H . . 4.000 3.912 3.658 4.316 0.316 2 0 "[ . 1 . 2]" 1
1489 1 65 VAL HB 1 66 LYS HA . . 5.190 4.745 4.420 5.021 . 0 0 "[ . 1 . 2]" 1
1490 1 65 VAL HB 1 68 SER HA . . 4.290 4.259 3.971 4.778 0.488 17 0 "[ . 1 . 2]" 1
1491 1 65 VAL HB 1 68 SER HB2 . . 4.310 3.672 2.878 4.755 0.445 10 0 "[ . 1 . 2]" 1
1492 1 65 VAL HB 1 68 SER QB . . 3.530 3.001 2.030 3.999 0.469 10 0 "[ . 1 . 2]" 1
1493 1 65 VAL HB 1 68 SER HB3 . . 4.310 3.220 2.075 4.345 0.035 15 0 "[ . 1 . 2]" 1
1494 1 65 VAL HB 1 82 VAL QG . . 4.860 3.255 2.198 4.088 . 0 0 "[ . 1 . 2]" 1
1495 1 65 VAL QG 1 66 LYS H . . 3.620 2.955 2.343 3.512 . 0 0 "[ . 1 . 2]" 1
1496 1 65 VAL QG 1 67 PRO HA . . 5.440 4.730 4.379 5.127 . 0 0 "[ . 1 . 2]" 1
1497 1 65 VAL QG 1 68 SER H . . 5.340 4.182 3.717 4.804 . 0 0 "[ . 1 . 2]" 1
1498 1 65 VAL QG 1 68 SER HA . . 3.690 2.759 2.131 3.348 . 0 0 "[ . 1 . 2]" 1
1499 1 65 VAL QG 1 68 SER HB2 . . 5.500 2.663 1.874 3.461 . 0 0 "[ . 1 . 2]" 1
1500 1 65 VAL QG 1 68 SER QB . . 3.310 2.178 1.663 2.965 . 0 0 "[ . 1 . 2]" 1
1501 1 65 VAL QG 1 68 SER HB3 . . 5.500 2.327 1.762 3.284 . 0 0 "[ . 1 . 2]" 1
1502 1 65 VAL QG 1 82 VAL HA . . 4.050 3.151 2.750 3.457 . 0 0 "[ . 1 . 2]" 1
1503 1 65 VAL QG 1 82 VAL QG . . 2.540 2.020 1.609 2.407 . 0 0 "[ . 1 . 2]" 1
1504 1 65 VAL QG 1 83 SER H . . 4.600 4.210 3.903 4.430 . 0 0 "[ . 1 . 2]" 1
1505 1 65 VAL QG 1 96 PHE QD . . 3.980 3.231 3.015 3.564 . 0 0 "[ . 1 . 2]" 1
1506 1 65 VAL QG 1 96 PHE QE . . 3.600 2.304 2.043 2.707 . 0 0 "[ . 1 . 2]" 1
1507 1 65 VAL QG 1 96 PHE HZ . . 4.630 3.916 3.376 4.377 . 0 0 "[ . 1 . 2]" 1
1508 1 66 LYS H 1 66 LYS HB2 . . 3.720 3.509 3.197 3.728 0.008 8 0 "[ . 1 . 2]" 1
1509 1 66 LYS H 1 66 LYS HB3 . . 3.790 2.985 2.826 3.216 . 0 0 "[ . 1 . 2]" 1
1510 1 66 LYS H 1 66 LYS QG . . 4.750 4.181 4.080 4.371 . 0 0 "[ . 1 . 2]" 1
1511 1 66 LYS H 1 80 ILE HA . . 5.500 4.067 3.942 4.287 . 0 0 "[ . 1 . 2]" 1
1512 1 66 LYS H 1 80 ILE MG . . 3.740 2.892 2.428 3.198 . 0 0 "[ . 1 . 2]" 1
1513 1 66 LYS H 1 81 ILE H . . 3.740 3.253 2.993 3.518 . 0 0 "[ . 1 . 2]" 1
1514 1 66 LYS H 1 81 ILE HA . . 5.500 4.859 4.751 4.989 . 0 0 "[ . 1 . 2]" 1
1515 1 66 LYS H 1 81 ILE HB . . 4.090 3.708 3.494 3.882 . 0 0 "[ . 1 . 2]" 1
1516 1 66 LYS H 1 82 VAL HA . . 4.050 4.042 3.885 4.166 0.116 5 0 "[ . 1 . 2]" 1
1517 1 66 LYS H 1 82 VAL QG . . 4.390 3.668 3.448 3.906 . 0 0 "[ . 1 . 2]" 1
1518 1 66 LYS HA 1 66 LYS QD . . 4.520 3.825 2.957 4.211 . 0 0 "[ . 1 . 2]" 1
1519 1 66 LYS HA 1 66 LYS QG . . 3.620 2.475 2.182 2.650 . 0 0 "[ . 1 . 2]" 1
1520 1 66 LYS HA 1 67 PRO QB . . 4.290 3.694 3.661 3.720 . 0 0 "[ . 1 . 2]" 1
1521 1 66 LYS HA 1 68 SER H . . 4.070 2.539 2.213 2.927 . 0 0 "[ . 1 . 2]" 1
1522 1 66 LYS HA 1 80 ILE MD . . 5.500 4.626 4.453 5.678 0.178 12 0 "[ . 1 . 2]" 1
1523 1 66 LYS HB2 1 66 LYS QD . . 3.540 3.162 2.779 3.594 0.054 9 0 "[ . 1 . 2]" 1
1524 1 66 LYS HB2 1 66 LYS QE . . 4.540 3.563 3.008 4.033 . 0 0 "[ . 1 . 2]" 1
1525 1 66 LYS HB2 1 67 PRO HA . . 4.560 3.456 3.128 3.814 . 0 0 "[ . 1 . 2]" 1
1526 1 66 LYS HB3 1 81 ILE HB . . 4.120 4.065 4.012 4.099 . 0 0 "[ . 1 . 2]" 1
1527 1 66 LYS HB3 1 81 ILE MG . . 5.050 4.337 4.119 4.491 . 0 0 "[ . 1 . 2]" 1
1528 1 66 LYS QD 1 67 PRO HA . . 4.460 3.626 2.069 4.302 . 0 0 "[ . 1 . 2]" 1
1529 1 66 LYS QD 1 81 ILE MD . . 5.020 4.467 3.131 5.275 0.255 1 0 "[ . 1 . 2]" 1
1530 1 66 LYS QE 1 66 LYS HG2 . . 3.600 2.705 2.037 3.372 . 0 0 "[ . 1 . 2]" 1
1531 1 66 LYS QE 1 66 LYS QG . . 3.130 2.167 2.012 2.406 . 0 0 "[ . 1 . 2]" 1
1532 1 66 LYS QE 1 66 LYS HG3 . . 3.600 2.741 2.241 3.182 . 0 0 "[ . 1 . 2]" 1
1533 1 66 LYS QE 1 81 ILE HB . . 4.580 3.689 3.591 3.768 . 0 0 "[ . 1 . 2]" 1
1534 1 66 LYS QE 1 81 ILE MD . . 4.410 3.706 3.264 4.286 . 0 0 "[ . 1 . 2]" 1
1535 1 66 LYS QE 1 81 ILE MG . . 4.860 4.280 3.693 4.478 . 0 0 "[ . 1 . 2]" 1
1536 1 66 LYS QG 1 67 PRO HA . . 3.750 1.985 1.929 2.167 . 0 0 "[ . 1 . 2]" 1
1537 1 66 LYS HG2 1 67 PRO HA . . 4.610 2.035 1.954 2.271 . 0 0 "[ . 1 . 2]" 1
1538 1 66 LYS HG3 1 67 PRO HA . . 4.610 3.009 2.467 3.636 . 0 0 "[ . 1 . 2]" 1
1539 1 67 PRO HA 1 68 SER H . . 3.380 2.241 2.172 2.350 . 0 0 "[ . 1 . 2]" 1
1540 1 67 PRO QB 1 68 SER H . . 3.680 3.081 2.794 3.297 . 0 0 "[ . 1 . 2]" 1
1541 1 67 PRO QB 1 70 SER QB . . 3.560 2.447 1.939 2.842 . 0 0 "[ . 1 . 2]" 1
1542 1 67 PRO HB2 1 68 SER H . . 4.280 3.288 2.933 3.556 . 0 0 "[ . 1 . 2]" 1
1543 1 67 PRO HB2 1 70 SER HB2 . . 4.940 2.617 1.980 3.501 . 0 0 "[ . 1 . 2]" 1
1544 1 67 PRO HB2 1 70 SER HB3 . . 4.940 3.531 3.104 4.139 . 0 0 "[ . 1 . 2]" 1
1545 1 67 PRO HB3 1 68 SER H . . 4.280 3.729 3.514 3.902 . 0 0 "[ . 1 . 2]" 1
1546 1 67 PRO HB3 1 70 SER HB2 . . 4.940 3.648 2.952 4.384 . 0 0 "[ . 1 . 2]" 1
1547 1 67 PRO HB3 1 70 SER HB3 . . 4.940 4.576 4.265 4.853 . 0 0 "[ . 1 . 2]" 1
1548 1 67 PRO HD2 1 78 ILE MD . . 4.760 4.679 4.287 4.849 0.089 13 0 "[ . 1 . 2]" 1
1549 1 67 PRO HD2 1 80 ILE H . . 4.960 4.292 4.190 4.419 . 0 0 "[ . 1 . 2]" 1
1550 1 67 PRO HD2 1 80 ILE HA . . 3.610 1.959 1.906 1.988 . 0 0 "[ . 1 . 2]" 1
1551 1 67 PRO HD2 1 80 ILE MD . . 3.790 1.805 1.755 2.182 . 0 0 "[ . 1 . 2]" 1
1552 1 67 PRO HD2 1 80 ILE QG . . 4.720 3.532 1.892 3.741 . 0 0 "[ . 1 . 2]" 1
1553 1 67 PRO HD2 1 80 ILE MG . . 3.930 2.770 2.384 3.252 . 0 0 "[ . 1 . 2]" 1
1554 1 67 PRO HD2 1 81 ILE H . . 4.030 3.571 3.441 3.671 . 0 0 "[ . 1 . 2]" 1
1555 1 67 PRO HD3 1 78 ILE MD . . 5.120 4.984 4.507 5.171 0.051 5 0 "[ . 1 . 2]" 1
1556 1 67 PRO HD3 1 80 ILE HA . . 4.060 3.088 2.927 3.250 . 0 0 "[ . 1 . 2]" 1
1557 1 67 PRO HD3 1 80 ILE MD . . 4.160 3.150 3.048 3.475 . 0 0 "[ . 1 . 2]" 1
1558 1 67 PRO HD3 1 80 ILE MG . . 4.550 3.999 3.652 4.316 . 0 0 "[ . 1 . 2]" 1
1559 1 67 PRO HD3 1 81 ILE H . . 4.380 3.763 3.655 3.930 . 0 0 "[ . 1 . 2]" 1
1560 1 67 PRO HG2 1 78 ILE MD . . 3.940 3.089 2.658 3.345 . 0 0 "[ . 1 . 2]" 1
1561 1 67 PRO HG2 1 78 ILE MG . . 5.170 3.793 3.477 4.031 . 0 0 "[ . 1 . 2]" 1
1562 1 67 PRO HG2 1 80 ILE MD . . 3.810 2.250 2.060 2.803 . 0 0 "[ . 1 . 2]" 1
1563 1 67 PRO HG2 1 80 ILE QG . . 5.030 4.284 2.758 4.445 . 0 0 "[ . 1 . 2]" 1
1564 1 67 PRO HG3 1 78 ILE MD . . 3.790 3.513 2.982 3.724 . 0 0 "[ . 1 . 2]" 1
1565 1 67 PRO HG3 1 78 ILE HG13 . . 5.200 4.284 4.006 4.504 . 0 0 "[ . 1 . 2]" 1
1566 1 67 PRO HG3 1 78 ILE MG . . 4.950 4.878 4.507 5.172 0.222 12 0 "[ . 1 . 2]" 1
1567 1 67 PRO HG3 1 80 ILE MD . . 4.160 3.388 3.183 3.837 . 0 0 "[ . 1 . 2]" 1
1568 1 68 SER H 1 80 ILE MG . . 5.500 4.560 4.410 4.683 . 0 0 "[ . 1 . 2]" 1
1569 1 69 ASN HA 1 70 SER H . . 2.920 2.330 2.254 2.526 . 0 0 "[ . 1 . 2]" 1
1570 1 69 ASN QB 1 70 SER H . . 4.250 3.795 3.504 4.120 . 0 0 "[ . 1 . 2]" 1
1571 1 70 SER H 1 70 SER HB2 . . 4.100 3.191 2.817 3.711 . 0 0 "[ . 1 . 2]" 1
1572 1 70 SER H 1 70 SER HB3 . . 4.100 3.453 3.134 3.987 . 0 0 "[ . 1 . 2]" 1
1573 1 70 SER H 1 71 SER H . . 4.570 4.322 4.270 4.360 . 0 0 "[ . 1 . 2]" 1
1574 1 70 SER H 1 114 LEU MD1 . . 5.270 3.401 2.252 4.131 . 0 0 "[ . 1 . 2]" 1
1575 1 70 SER H 1 114 LEU QD . . 4.590 3.289 2.244 3.918 . 0 0 "[ . 1 . 2]" 1
1576 1 70 SER H 1 114 LEU MD2 . . 5.270 4.500 4.138 4.867 . 0 0 "[ . 1 . 2]" 1
1577 1 70 SER HA 1 71 SER H . . 3.450 2.831 2.701 2.939 . 0 0 "[ . 1 . 2]" 1
1578 1 70 SER HA 1 114 LEU MD1 . . 4.260 2.535 2.031 3.192 . 0 0 "[ . 1 . 2]" 1
1579 1 70 SER HA 1 114 LEU QD . . 3.400 2.220 2.023 2.499 . 0 0 "[ . 1 . 2]" 1
1580 1 70 SER HA 1 114 LEU MD2 . . 4.260 3.128 2.165 3.873 . 0 0 "[ . 1 . 2]" 1
1581 1 70 SER HA 1 114 LEU HG . . 4.790 3.760 1.978 5.108 0.318 5 0 "[ . 1 . 2]" 1
1582 1 70 SER QB 1 71 SER H . . 3.200 2.364 1.981 2.942 . 0 0 "[ . 1 . 2]" 1
1583 1 70 SER QB 1 78 ILE MD . . 4.390 2.775 2.283 3.103 . 0 0 "[ . 1 . 2]" 1
1584 1 70 SER QB 1 114 LEU QD . . 5.280 3.822 3.491 4.049 . 0 0 "[ . 1 . 2]" 1
1585 1 70 SER HB2 1 71 SER H . . 3.860 3.545 2.605 3.781 . 0 0 "[ . 1 . 2]" 1
1586 1 70 SER HB3 1 71 SER H . . 3.860 2.425 2.013 3.199 . 0 0 "[ . 1 . 2]" 1
1587 1 71 SER H 1 71 SER QB . . 3.690 2.829 2.464 3.071 . 0 0 "[ . 1 . 2]" 1
1588 1 71 SER H 1 71 SER HG . . 4.570 3.604 2.354 4.848 0.278 18 0 "[ . 1 . 2]" 1
1589 1 71 SER H 1 72 CYS HA . . 5.140 4.674 4.597 4.776 . 0 0 "[ . 1 . 2]" 1
1590 1 71 SER H 1 78 ILE MD . . 5.210 3.678 3.083 3.947 . 0 0 "[ . 1 . 2]" 1
1591 1 71 SER H 1 114 LEU QD . . 4.210 3.433 3.035 3.755 . 0 0 "[ . 1 . 2]" 1
1592 1 71 SER HA 1 72 CYS H . . 3.260 2.475 2.269 2.608 . 0 0 "[ . 1 . 2]" 1
1593 1 71 SER HA 1 114 LEU QD . . 4.680 3.673 3.277 3.926 . 0 0 "[ . 1 . 2]" 1
1594 1 71 SER QB 1 72 CYS H . . 3.950 2.854 2.289 3.333 . 0 0 "[ . 1 . 2]" 1
1595 1 71 SER QB 1 109 THR HB . . 4.580 3.100 2.120 3.891 . 0 0 "[ . 1 . 2]" 1
1596 1 71 SER QB 1 109 THR MG . . 3.840 2.319 1.690 3.272 . 0 0 "[ . 1 . 2]" 1
1597 1 71 SER QB 1 114 LEU QD . . 3.560 2.551 2.010 3.076 . 0 0 "[ . 1 . 2]" 1
1598 1 71 SER HB2 1 72 CYS H . . 4.680 3.200 2.546 4.151 . 0 0 "[ . 1 . 2]" 1
1599 1 71 SER HB2 1 114 LEU MD1 . . 5.550 4.158 2.590 5.358 . 0 0 "[ . 1 . 2]" 1
1600 1 71 SER HB2 1 114 LEU MD2 . . 5.550 3.603 2.269 4.456 . 0 0 "[ . 1 . 2]" 1
1601 1 71 SER HB3 1 72 CYS H . . 4.680 3.590 2.339 4.217 . 0 0 "[ . 1 . 2]" 1
1602 1 71 SER HB3 1 114 LEU MD1 . . 5.550 3.691 2.619 4.932 . 0 0 "[ . 1 . 2]" 1
1603 1 71 SER HB3 1 114 LEU MD2 . . 5.550 3.289 2.054 4.392 . 0 0 "[ . 1 . 2]" 1
1604 1 71 SER HG 1 109 THR MG . . 4.770 2.634 1.820 3.716 . 0 0 "[ . 1 . 2]" 1
1605 1 72 CYS H 1 72 CYS QB . . 3.630 2.500 2.302 2.652 . 0 0 "[ . 1 . 2]" 1
1606 1 72 CYS H 1 78 ILE MD . . 5.390 4.225 3.897 4.412 . 0 0 "[ . 1 . 2]" 1
1607 1 72 CYS HA 1 72 CYS HG . . 4.250 3.393 2.656 4.085 . 0 0 "[ . 1 . 2]" 1
1608 1 72 CYS HA 1 73 ASP H . . 2.950 2.233 2.220 2.316 . 0 0 "[ . 1 . 2]" 1
1609 1 72 CYS HA 1 76 ALA MB . . 5.000 4.373 4.161 4.708 . 0 0 "[ . 1 . 2]" 1
1610 1 72 CYS HA 1 78 ILE HB . . 4.990 3.541 3.218 4.231 . 0 0 "[ . 1 . 2]" 1
1611 1 72 CYS HA 1 78 ILE MD . . 3.810 2.657 2.366 2.920 . 0 0 "[ . 1 . 2]" 1
1612 1 72 CYS QB 1 73 ASP H . . 4.460 3.871 3.639 3.941 . 0 0 "[ . 1 . 2]" 1
1613 1 72 CYS QB 1 76 ALA MB . . 5.270 4.490 4.097 4.881 . 0 0 "[ . 1 . 2]" 1
1614 1 72 CYS QB 1 78 ILE HB . . 4.440 2.304 2.008 2.481 . 0 0 "[ . 1 . 2]" 1
1615 1 72 CYS QB 1 78 ILE MD . . 4.080 2.479 2.133 2.827 . 0 0 "[ . 1 . 2]" 1
1616 1 72 CYS QB 1 78 ILE HG12 . . 5.500 4.491 4.166 4.548 . 0 0 "[ . 1 . 2]" 1
1617 1 72 CYS QB 1 78 ILE HG13 . . 5.280 4.701 4.539 4.801 . 0 0 "[ . 1 . 2]" 1
1618 1 72 CYS QB 1 78 ILE MG . . 3.770 2.521 2.103 3.026 . 0 0 "[ . 1 . 2]" 1
1619 1 72 CYS HG 1 76 ALA H . . 4.000 3.646 3.272 4.102 0.102 11 0 "[ . 1 . 2]" 1
1620 1 72 CYS HG 1 76 ALA MB . . 3.570 2.927 2.227 3.500 . 0 0 "[ . 1 . 2]" 1
1621 1 72 CYS HG 1 78 ILE MG . . 5.490 4.765 4.187 5.128 . 0 0 "[ . 1 . 2]" 1
1622 1 73 ASP H 1 73 ASP HB2 . . 4.030 2.343 2.066 3.507 . 0 0 "[ . 1 . 2]" 1
1623 1 73 ASP H 1 73 ASP QB . . 3.500 2.253 2.048 2.390 . 0 0 "[ . 1 . 2]" 1
1624 1 73 ASP H 1 73 ASP HB3 . . 4.030 3.443 2.259 3.549 . 0 0 "[ . 1 . 2]" 1
1625 1 73 ASP H 1 76 ALA MB . . 3.950 3.338 2.999 3.457 . 0 0 "[ . 1 . 2]" 1
1626 1 73 ASP H 1 78 ILE MD . . 5.260 4.296 3.966 4.558 . 0 0 "[ . 1 . 2]" 1
1627 1 73 ASP QB 1 74 PRO HD2 . . 3.310 1.951 1.937 1.965 . 0 0 "[ . 1 . 2]" 1
1628 1 73 ASP QB 1 74 PRO HD3 . . 3.840 2.979 2.765 3.004 . 0 0 "[ . 1 . 2]" 1
1629 1 73 ASP QB 1 74 PRO HG2 . . 4.410 4.032 3.995 4.170 . 0 0 "[ . 1 . 2]" 1
1630 1 73 ASP QB 1 74 PRO HG3 . . 4.650 4.593 4.560 4.607 . 0 0 "[ . 1 . 2]" 1
1631 1 73 ASP QB 1 76 ALA MB . . 3.080 2.533 2.296 3.206 0.126 13 0 "[ . 1 . 2]" 1
1632 1 73 ASP HB2 1 74 PRO HD2 . . 3.880 3.552 1.973 3.655 . 0 0 "[ . 1 . 2]" 1
1633 1 73 ASP HB2 1 76 ALA MB . . 3.840 2.650 2.377 3.808 . 0 0 "[ . 1 . 2]" 1
1634 1 73 ASP HB3 1 74 PRO HD2 . . 3.880 2.043 1.944 3.656 . 0 0 "[ . 1 . 2]" 1
1635 1 73 ASP HB3 1 76 ALA MB . . 3.840 3.323 3.010 3.466 . 0 0 "[ . 1 . 2]" 1
1636 1 74 PRO HA 1 75 GLY H . . 3.000 2.182 2.149 2.239 . 0 0 "[ . 1 . 2]" 1
1637 1 74 PRO HA 1 76 ALA H . . 3.890 3.463 3.195 3.808 . 0 0 "[ . 1 . 2]" 1
1638 1 74 PRO QB 1 75 GLY H . . 3.640 3.283 3.067 3.517 . 0 0 "[ . 1 . 2]" 1
1639 1 74 PRO HB2 1 75 GLY H . . 4.290 3.538 3.269 3.828 . 0 0 "[ . 1 . 2]" 1
1640 1 74 PRO HB3 1 75 GLY H . . 4.290 3.892 3.713 4.100 . 0 0 "[ . 1 . 2]" 1
1641 1 74 PRO HD2 1 76 ALA MB . . 5.110 4.608 4.379 4.744 . 0 0 "[ . 1 . 2]" 1
1642 1 74 PRO HG3 1 75 GLY H . . 5.500 5.669 5.541 5.787 0.287 19 0 "[ . 1 . 2]" 1
1643 1 76 ALA H 1 76 ALA MB . . 2.890 2.561 2.378 2.642 . 0 0 "[ . 1 . 2]" 1
1644 1 76 ALA H 1 77 SER H . . 4.470 4.385 4.373 4.417 . 0 0 "[ . 1 . 2]" 1
1645 1 76 ALA H 1 77 SER HA . . 4.860 4.605 4.556 4.763 . 0 0 "[ . 1 . 2]" 1
1646 1 76 ALA HA 1 77 SER H . . 2.740 2.642 2.368 2.679 . 0 0 "[ . 1 . 2]" 1
1647 1 76 ALA HA 1 77 SER QB . . 4.760 4.456 4.407 4.505 . 0 0 "[ . 1 . 2]" 1
1648 1 76 ALA MB 1 77 SER H . . 2.930 2.258 2.133 2.701 . 0 0 "[ . 1 . 2]" 1
1649 1 76 ALA MB 1 77 SER HA . . 4.630 3.896 3.795 4.114 . 0 0 "[ . 1 . 2]" 1
1650 1 77 SER H 1 77 SER HB2 . . 3.910 3.731 3.602 3.784 . 0 0 "[ . 1 . 2]" 1
1651 1 77 SER H 1 77 SER QB . . 3.130 3.236 3.051 3.270 0.140 18 0 "[ . 1 . 2]" 1
1652 1 77 SER H 1 77 SER HB3 . . 3.910 3.551 3.295 3.603 . 0 0 "[ . 1 . 2]" 1
1653 1 77 SER H 1 78 ILE H . . 4.460 4.312 4.258 4.479 0.019 1 0 "[ . 1 . 2]" 1
1654 1 77 SER HA 1 78 ILE H . . 3.050 2.276 2.254 2.323 . 0 0 "[ . 1 . 2]" 1
1655 1 77 SER HA 1 78 ILE MG . . 4.970 4.182 4.015 4.291 . 0 0 "[ . 1 . 2]" 1
1656 1 77 SER QB 1 78 ILE H . . 3.470 3.042 2.882 3.136 . 0 0 "[ . 1 . 2]" 1
1657 1 77 SER HB2 1 78 ILE H . . 4.280 3.171 2.974 3.296 . 0 0 "[ . 1 . 2]" 1
1658 1 77 SER HB3 1 78 ILE H . . 4.280 3.922 3.867 3.952 . 0 0 "[ . 1 . 2]" 1
1659 1 78 ILE H 1 78 ILE HB . . 3.730 2.650 2.596 2.764 . 0 0 "[ . 1 . 2]" 1
1660 1 78 ILE H 1 78 ILE MD . . 4.730 4.287 4.218 4.366 . 0 0 "[ . 1 . 2]" 1
1661 1 78 ILE H 1 78 ILE HG12 . . 4.640 4.697 4.640 4.745 0.105 5 0 "[ . 1 . 2]" 1
1662 1 78 ILE H 1 78 ILE HG13 . . 4.630 4.424 4.406 4.450 . 0 0 "[ . 1 . 2]" 1
1663 1 78 ILE H 1 78 ILE MG . . 3.110 2.291 2.204 2.390 . 0 0 "[ . 1 . 2]" 1
1664 1 78 ILE H 1 79 ASP H . . 4.620 4.521 4.506 4.546 . 0 0 "[ . 1 . 2]" 1
1665 1 78 ILE HA 1 78 ILE MD . . 3.730 3.294 3.067 3.402 . 0 0 "[ . 1 . 2]" 1
1666 1 78 ILE HA 1 78 ILE HG12 . . 3.610 3.316 3.204 3.429 . 0 0 "[ . 1 . 2]" 1
1667 1 78 ILE HA 1 78 ILE HG13 . . 4.080 2.106 2.058 2.191 . 0 0 "[ . 1 . 2]" 1
1668 1 78 ILE HA 1 78 ILE MG . . 3.580 3.186 3.173 3.198 . 0 0 "[ . 1 . 2]" 1
1669 1 78 ILE HA 1 79 ASP H . . 2.970 2.530 2.425 2.570 . 0 0 "[ . 1 . 2]" 1
1670 1 78 ILE HA 1 79 ASP QB . . 4.820 4.169 3.948 4.438 . 0 0 "[ . 1 . 2]" 1
1671 1 78 ILE HB 1 78 ILE MD . . 3.320 1.958 1.925 2.017 . 0 0 "[ . 1 . 2]" 1
1672 1 78 ILE HB 1 79 ASP H . . 4.000 3.953 3.904 4.013 0.013 19 0 "[ . 1 . 2]" 1
1673 1 78 ILE HB 1 80 ILE MD . . 4.870 4.166 3.919 4.256 . 0 0 "[ . 1 . 2]" 1
1674 1 78 ILE MD 1 78 ILE MG . . 3.110 2.646 2.528 2.803 . 0 0 "[ . 1 . 2]" 1
1675 1 78 ILE MD 1 79 ASP H . . 3.850 3.730 3.658 3.792 . 0 0 "[ . 1 . 2]" 1
1676 1 78 ILE HG12 1 78 ILE MG . . 3.660 2.062 2.026 2.240 . 0 0 "[ . 1 . 2]" 1
1677 1 78 ILE HG12 1 79 ASP H . . 3.760 2.419 2.240 2.705 . 0 0 "[ . 1 . 2]" 1
1678 1 78 ILE HG12 1 79 ASP HA . . 4.830 4.693 4.518 4.903 0.073 5 0 "[ . 1 . 2]" 1
1679 1 78 ILE HG12 1 80 ILE MD . . 4.170 2.296 1.947 2.467 . 0 0 "[ . 1 . 2]" 1
1680 1 78 ILE HG13 1 78 ILE MG . . 3.510 3.097 2.995 3.138 . 0 0 "[ . 1 . 2]" 1
1681 1 78 ILE HG13 1 79 ASP H . . 4.030 2.106 1.916 2.328 . 0 0 "[ . 1 . 2]" 1
1682 1 78 ILE HG13 1 80 ILE MD . . 4.470 3.649 3.098 3.878 . 0 0 "[ . 1 . 2]" 1
1683 1 78 ILE MG 1 79 ASP H . . 3.900 3.023 2.869 3.407 . 0 0 "[ . 1 . 2]" 1
1684 1 78 ILE MG 1 79 ASP HA . . 3.920 3.588 3.443 3.745 . 0 0 "[ . 1 . 2]" 1
1685 1 78 ILE MG 1 80 ILE H . . 4.590 3.997 3.790 4.178 . 0 0 "[ . 1 . 2]" 1
1686 1 78 ILE MG 1 80 ILE HB . . 5.310 4.627 4.475 4.833 . 0 0 "[ . 1 . 2]" 1
1687 1 78 ILE MG 1 80 ILE MD . . 3.220 1.880 1.814 2.077 . 0 0 "[ . 1 . 2]" 1
1688 1 78 ILE MG 1 80 ILE QG . . 4.420 2.505 2.284 3.534 . 0 0 "[ . 1 . 2]" 1
1689 1 79 ASP H 1 79 ASP HB2 . . 3.910 3.134 2.413 3.820 . 0 0 "[ . 1 . 2]" 1
1690 1 79 ASP H 1 79 ASP QB . . 3.350 2.721 2.379 3.106 . 0 0 "[ . 1 . 2]" 1
1691 1 79 ASP H 1 79 ASP HB3 . . 3.910 3.346 2.869 3.794 . 0 0 "[ . 1 . 2]" 1
1692 1 79 ASP HA 1 80 ILE H . . 3.090 2.257 2.252 2.277 . 0 0 "[ . 1 . 2]" 1
1693 1 79 ASP HA 1 80 ILE HB . . 4.930 4.889 4.487 4.981 0.051 5 0 "[ . 1 . 2]" 1
1694 1 79 ASP HA 1 80 ILE MD . . 4.480 3.776 2.834 3.953 . 0 0 "[ . 1 . 2]" 1
1695 1 79 ASP QB 1 80 ILE H . . 3.900 3.392 3.285 3.482 . 0 0 "[ . 1 . 2]" 1
1696 1 79 ASP QB 1 80 ILE HA . . 4.680 4.295 4.022 4.670 . 0 0 "[ . 1 . 2]" 1
1697 1 79 ASP QB 1 81 ILE MD . . 3.640 2.500 2.265 2.858 . 0 0 "[ . 1 . 2]" 1
1698 1 79 ASP HB2 1 80 ILE H . . 4.550 3.989 3.413 4.541 . 0 0 "[ . 1 . 2]" 1
1699 1 79 ASP HB2 1 80 ILE HA . . 5.500 4.882 4.525 5.283 . 0 0 "[ . 1 . 2]" 1
1700 1 79 ASP HB2 1 81 ILE MD . . 4.180 3.108 2.301 3.892 . 0 0 "[ . 1 . 2]" 1
1701 1 79 ASP HB3 1 80 ILE H . . 4.550 3.951 3.449 4.496 . 0 0 "[ . 1 . 2]" 1
1702 1 79 ASP HB3 1 80 ILE HA . . 5.500 5.062 4.170 5.801 0.301 18 0 "[ . 1 . 2]" 1
1703 1 79 ASP HB3 1 81 ILE MD . . 4.180 3.257 2.311 4.155 . 0 0 "[ . 1 . 2]" 1
1704 1 80 ILE H 1 80 ILE HB . . 3.690 2.764 2.369 2.889 . 0 0 "[ . 1 . 2]" 1
1705 1 80 ILE H 1 80 ILE MD . . 3.990 3.232 2.063 3.447 . 0 0 "[ . 1 . 2]" 1
1706 1 80 ILE H 1 80 ILE QG . . 4.020 2.346 2.180 3.623 . 0 0 "[ . 1 . 2]" 1
1707 1 80 ILE H 1 80 ILE MG . . 4.160 3.868 3.685 3.906 . 0 0 "[ . 1 . 2]" 1
1708 1 80 ILE H 1 81 ILE H . . 4.750 4.128 4.013 4.373 . 0 0 "[ . 1 . 2]" 1
1709 1 80 ILE H 1 81 ILE MD . . 4.920 3.991 3.754 4.249 . 0 0 "[ . 1 . 2]" 1
1710 1 80 ILE HA 1 80 ILE MD . . 3.580 2.385 2.253 2.550 . 0 0 "[ . 1 . 2]" 1
1711 1 80 ILE HA 1 80 ILE MG . . 3.330 2.134 2.069 2.492 . 0 0 "[ . 1 . 2]" 1
1712 1 80 ILE HA 1 81 ILE H . . 3.060 2.202 2.177 2.245 . 0 0 "[ . 1 . 2]" 1
1713 1 80 ILE HA 1 81 ILE MD . . 3.810 3.279 3.069 3.456 . 0 0 "[ . 1 . 2]" 1
1714 1 80 ILE HB 1 80 ILE MD . . 3.400 3.162 2.335 3.213 . 0 0 "[ . 1 . 2]" 1
1715 1 80 ILE HB 1 82 VAL QG . . 5.070 3.612 3.296 4.019 . 0 0 "[ . 1 . 2]" 1
1716 1 80 ILE MD 1 80 ILE MG . . 2.860 1.986 1.857 3.270 0.410 12 0 "[ . 1 . 2]" 1
1717 1 80 ILE MD 1 81 ILE H . . 4.450 4.188 4.069 4.403 . 0 0 "[ . 1 . 2]" 1
1718 1 80 ILE MG 1 81 ILE H . . 3.550 3.158 2.908 3.320 . 0 0 "[ . 1 . 2]" 1
1719 1 80 ILE MG 1 81 ILE HB . . 5.500 4.778 4.470 4.905 . 0 0 "[ . 1 . 2]" 1
1720 1 80 ILE MG 1 82 VAL QG . . 3.140 2.853 2.268 3.028 . 0 0 "[ . 1 . 2]" 1
1721 1 81 ILE H 1 81 ILE HB . . 3.360 2.188 2.161 2.241 . 0 0 "[ . 1 . 2]" 1
1722 1 81 ILE H 1 81 ILE MD . . 4.170 1.931 1.895 2.126 . 0 0 "[ . 1 . 2]" 1
1723 1 81 ILE H 1 81 ILE HG12 . . 4.190 4.083 4.019 4.133 . 0 0 "[ . 1 . 2]" 1
1724 1 81 ILE H 1 81 ILE QG . . 3.670 3.366 3.134 3.514 . 0 0 "[ . 1 . 2]" 1
1725 1 81 ILE H 1 81 ILE HG13 . . 4.190 3.591 3.270 3.814 . 0 0 "[ . 1 . 2]" 1
1726 1 81 ILE H 1 81 ILE MG . . 3.890 3.603 3.569 3.652 . 0 0 "[ . 1 . 2]" 1
1727 1 81 ILE H 1 82 VAL H . . 4.770 4.616 4.511 4.640 . 0 0 "[ . 1 . 2]" 1
1728 1 81 ILE HA 1 81 ILE MD . . 4.070 3.043 2.857 3.288 . 0 0 "[ . 1 . 2]" 1
1729 1 81 ILE HA 1 81 ILE HG12 . . 4.010 3.475 3.407 3.525 . 0 0 "[ . 1 . 2]" 1
1730 1 81 ILE HA 1 81 ILE HG13 . . 4.010 2.197 2.171 2.235 . 0 0 "[ . 1 . 2]" 1
1731 1 81 ILE HA 1 81 ILE MG . . 3.260 2.575 2.498 2.623 . 0 0 "[ . 1 . 2]" 1
1732 1 81 ILE HA 1 82 VAL H . . 3.040 2.281 2.178 2.318 . 0 0 "[ . 1 . 2]" 1
1733 1 81 ILE HA 1 82 VAL QG . . 4.200 3.512 3.300 3.841 . 0 0 "[ . 1 . 2]" 1
1734 1 81 ILE HB 1 81 ILE MD . . 3.500 2.095 2.023 2.169 . 0 0 "[ . 1 . 2]" 1
1735 1 81 ILE MD 1 82 VAL H . . 4.860 4.785 4.635 5.025 0.165 10 0 "[ . 1 . 2]" 1
1736 1 81 ILE QG 1 81 ILE MG . . 3.010 2.073 1.977 2.139 . 0 0 "[ . 1 . 2]" 1
1737 1 81 ILE QG 1 82 VAL H . . 5.340 3.727 3.621 4.013 . 0 0 "[ . 1 . 2]" 1
1738 1 81 ILE HG12 1 81 ILE MG . . 3.490 2.156 2.024 2.263 . 0 0 "[ . 1 . 2]" 1
1739 1 81 ILE HG13 1 81 ILE MG . . 3.490 2.700 2.622 2.808 . 0 0 "[ . 1 . 2]" 1
1740 1 81 ILE MG 1 82 VAL H . . 3.480 2.239 2.051 2.826 . 0 0 "[ . 1 . 2]" 1
1741 1 81 ILE MG 1 82 VAL HA . . 4.070 3.353 3.221 3.715 . 0 0 "[ . 1 . 2]" 1
1742 1 81 ILE MG 1 83 SER H . . 4.320 3.197 3.026 3.852 . 0 0 "[ . 1 . 2]" 1
1743 1 81 ILE MG 1 83 SER HB2 . . 4.500 3.665 3.084 4.464 . 0 0 "[ . 1 . 2]" 1
1744 1 81 ILE MG 1 83 SER QB . . 3.890 3.026 2.741 3.603 . 0 0 "[ . 1 . 2]" 1
1745 1 81 ILE MG 1 83 SER HB3 . . 4.500 3.277 2.820 4.012 . 0 0 "[ . 1 . 2]" 1
1746 1 82 VAL H 1 82 VAL HB . . 3.710 2.670 2.514 2.749 . 0 0 "[ . 1 . 2]" 1
1747 1 82 VAL H 1 82 VAL QG . . 3.620 2.920 2.506 3.119 . 0 0 "[ . 1 . 2]" 1
1748 1 82 VAL HA 1 82 VAL HB . . 2.700 3.019 2.998 3.025 0.325 10 0 "[ . 1 . 2]" 1
1749 1 82 VAL HA 1 83 SER H . . 2.990 2.229 2.185 2.241 . 0 0 "[ . 1 . 2]" 1
1750 1 82 VAL HA 1 83 SER QB . . 5.340 4.346 4.063 4.889 . 0 0 "[ . 1 . 2]" 1
1751 1 82 VAL HB 1 83 SER H . . 4.000 4.553 4.416 4.611 0.611 16 19 "[*** *****-*****+****]" 1
1752 1 82 VAL QG 1 83 SER H . . 3.530 3.229 2.843 3.288 . 0 0 "[ . 1 . 2]" 1
1753 1 82 VAL QG 1 83 SER HA . . 4.820 3.598 3.255 3.818 . 0 0 "[ . 1 . 2]" 1
1754 1 82 VAL QG 1 96 PHE QD . . 4.280 3.181 2.853 3.588 . 0 0 "[ . 1 . 2]" 1
1755 1 82 VAL QG 1 96 PHE QE . . 3.870 2.056 1.906 2.401 . 0 0 "[ . 1 . 2]" 1
1756 1 82 VAL QG 1 96 PHE HZ . . 3.830 2.065 1.832 2.274 . 0 0 "[ . 1 . 2]" 1
1757 1 83 SER H 1 83 SER HB2 . . 3.930 3.401 3.142 3.637 . 0 0 "[ . 1 . 2]" 1
1758 1 83 SER H 1 83 SER HB3 . . 3.930 2.726 2.286 3.780 . 0 0 "[ . 1 . 2]" 1
1759 1 83 SER HA 1 84 PRO HD2 . . 3.420 2.438 2.304 2.641 . 0 0 "[ . 1 . 2]" 1
1760 1 83 SER HA 1 84 PRO HD3 . . 3.420 1.954 1.940 1.983 . 0 0 "[ . 1 . 2]" 1
1761 1 83 SER HA 1 84 PRO QG . . 4.500 3.859 3.837 3.921 . 0 0 "[ . 1 . 2]" 1
1762 1 83 SER QB 1 84 PRO QD . . 3.750 3.073 2.650 3.252 . 0 0 "[ . 1 . 2]" 1
1763 1 83 SER HB2 1 84 PRO HD2 . . 5.500 3.492 2.912 3.989 . 0 0 "[ . 1 . 2]" 1
1764 1 83 SER HB2 1 84 PRO HD3 . . 5.500 4.043 3.836 4.541 . 0 0 "[ . 1 . 2]" 1
1765 1 83 SER HB3 1 84 PRO HD2 . . 5.500 4.133 3.063 4.645 . 0 0 "[ . 1 . 2]" 1
1766 1 83 SER HB3 1 84 PRO HD3 . . 5.500 4.521 3.705 4.809 . 0 0 "[ . 1 . 2]" 1
1767 1 84 PRO HA 1 85 HIS H . . 3.010 2.438 2.170 2.613 . 0 0 "[ . 1 . 2]" 1
1768 1 84 PRO HB2 1 85 HIS H . . 3.900 2.779 2.299 4.032 0.132 6 0 "[ . 1 . 2]" 1
1769 1 84 PRO HB3 1 85 HIS H . . 3.900 3.458 3.216 4.262 0.362 6 0 "[ . 1 . 2]" 1
1770 1 84 PRO QG 1 85 HIS H . . 4.820 4.405 4.090 5.013 0.193 6 0 "[ . 1 . 2]" 1
1771 1 84 PRO QG 1 88 LEU QD . . 5.280 3.785 3.091 4.721 . 0 0 "[ . 1 . 2]" 1
1772 1 84 PRO QG 1 90 VAL QG . . 3.770 2.336 1.851 2.933 . 0 0 "[ . 1 . 2]" 1
1773 1 85 HIS H 1 85 HIS HB2 . . 3.820 2.207 1.997 3.274 . 0 0 "[ . 1 . 2]" 1
1774 1 85 HIS H 1 85 HIS QB . . 3.300 2.122 1.977 2.964 . 0 0 "[ . 1 . 2]" 1
1775 1 85 HIS H 1 85 HIS HB3 . . 3.820 3.257 2.147 3.953 0.133 2 0 "[ . 1 . 2]" 1
1776 1 85 HIS H 1 85 HIS HD2 . . 3.930 4.200 4.069 4.302 0.372 7 0 "[ . 1 . 2]" 1
1777 1 85 HIS H 1 88 LEU MD1 . . 4.520 2.660 1.864 4.513 . 0 0 "[ . 1 . 2]" 1
1778 1 85 HIS H 1 88 LEU QD . . 3.830 2.480 1.853 3.622 . 0 0 "[ . 1 . 2]" 1
1779 1 85 HIS H 1 88 LEU MD2 . . 4.520 3.426 2.474 4.478 . 0 0 "[ . 1 . 2]" 1
1780 1 85 HIS HA 1 85 HIS HD2 . . 4.900 4.189 3.067 4.846 . 0 0 "[ . 1 . 2]" 1
1781 1 85 HIS HA 1 86 GLY H . . 3.530 2.693 2.190 3.580 0.050 18 0 "[ . 1 . 2]" 1
1782 1 85 HIS HA 1 86 GLY QA . . 4.300 4.000 3.894 4.250 . 0 0 "[ . 1 . 2]" 1
1783 1 85 HIS QB 1 86 GLY H . . 4.300 2.857 1.863 3.829 . 0 0 "[ . 1 . 2]" 1
1784 1 85 HIS QB 1 88 LEU QD . . 3.710 1.932 1.670 2.183 . 0 0 "[ . 1 . 2]" 1
1785 1 85 HIS QB 1 88 LEU HG . . 4.240 2.347 1.787 3.463 . 0 0 "[ . 1 . 2]" 1
1786 1 85 HIS HD2 1 88 LEU QD . . 4.200 2.892 1.915 3.818 . 0 0 "[ . 1 . 2]" 1
1787 1 85 HIS HD2 1 88 LEU HG . . 5.360 4.673 2.313 4.970 . 0 0 "[ . 1 . 2]" 1
1788 1 86 GLY QA 1 88 LEU H . . 4.830 4.445 3.483 4.729 . 0 0 "[ . 1 . 2]" 1
1789 1 87 GLY H 1 88 LEU H . . 4.680 2.705 1.906 3.447 . 0 0 "[ . 1 . 2]" 1
1790 1 88 LEU H 1 88 LEU HB2 . . 3.730 3.524 2.017 3.975 0.245 4 0 "[ . 1 . 2]" 1
1791 1 88 LEU H 1 88 LEU QB . . 3.190 2.639 1.995 3.424 0.234 4 0 "[ . 1 . 2]" 1
1792 1 88 LEU H 1 88 LEU HB3 . . 3.730 2.788 2.538 3.737 0.007 4 0 "[ . 1 . 2]" 1
1793 1 88 LEU H 1 88 LEU MD1 . . 4.010 3.242 1.906 4.169 0.159 9 0 "[ . 1 . 2]" 1
1794 1 88 LEU H 1 88 LEU MD2 . . 4.010 3.278 1.964 4.182 0.172 16 0 "[ . 1 . 2]" 1
1795 1 88 LEU H 1 88 LEU HG . . 3.440 2.203 1.860 3.685 0.245 5 0 "[ . 1 . 2]" 1
1796 1 88 LEU HA 1 88 LEU MD1 . . 4.130 3.638 3.297 3.851 . 0 0 "[ . 1 . 2]" 1
1797 1 88 LEU HA 1 88 LEU QD . . 3.390 3.289 1.924 3.461 0.071 4 0 "[ . 1 . 2]" 1
1798 1 88 LEU HA 1 88 LEU MD2 . . 4.130 3.899 1.930 4.121 . 0 0 "[ . 1 . 2]" 1
1799 1 88 LEU HA 1 88 LEU HG . . 4.050 3.656 2.761 4.208 0.158 5 0 "[ . 1 . 2]" 1
1800 1 88 LEU HA 1 89 THR H . . 3.160 2.774 2.469 3.536 0.376 3 0 "[ . 1 . 2]" 1
1801 1 88 LEU HA 1 89 THR MG . . 4.570 3.383 3.021 3.929 . 0 0 "[ . 1 . 2]" 1
1802 1 88 LEU QB 1 88 LEU QD . . 2.830 1.878 1.790 1.993 . 0 0 "[ . 1 . 2]" 1
1803 1 88 LEU QB 1 89 THR H . . 3.380 2.122 1.935 3.655 0.275 3 0 "[ . 1 . 2]" 1
1804 1 88 LEU QB 1 89 THR MG . . 4.500 3.543 3.257 4.116 . 0 0 "[ . 1 . 2]" 1
1805 1 88 LEU HB2 1 89 THR H . . 3.960 2.229 1.945 3.989 0.029 3 0 "[ . 1 . 2]" 1
1806 1 88 LEU HB3 1 89 THR H . . 3.960 3.511 1.944 4.242 0.282 3 0 "[ . 1 . 2]" 1
1807 1 88 LEU QD 1 89 THR H . . 3.680 2.483 1.913 3.038 . 0 0 "[ . 1 . 2]" 1
1808 1 88 LEU QD 1 89 THR HA . . 4.920 3.193 2.669 4.153 . 0 0 "[ . 1 . 2]" 1
1809 1 88 LEU QD 1 90 VAL H . . 4.360 4.425 4.095 5.377 1.017 9 1 "[ . +1 . 2]" 1
1810 1 88 LEU MD1 1 89 THR H . . 4.700 2.655 1.964 4.458 . 0 0 "[ . 1 . 2]" 1
1811 1 88 LEU MD2 1 89 THR H . . 4.700 4.000 1.931 4.580 . 0 0 "[ . 1 . 2]" 1
1812 1 88 LEU HG 1 89 THR H . . 4.830 4.131 2.978 4.634 . 0 0 "[ . 1 . 2]" 1
1813 1 89 THR H 1 89 THR HB . . 3.730 3.371 2.732 3.672 . 0 0 "[ . 1 . 2]" 1
1814 1 89 THR H 1 89 THR MG . . 3.840 2.133 1.884 3.132 . 0 0 "[ . 1 . 2]" 1
1815 1 89 THR HA 1 89 THR MG . . 3.270 3.129 2.554 3.245 . 0 0 "[ . 1 . 2]" 1
1816 1 89 THR HA 1 90 VAL H . . 3.160 2.568 2.408 2.799 . 0 0 "[ . 1 . 2]" 1
1817 1 89 THR HA 1 90 VAL QG . . 4.280 3.469 2.994 3.942 . 0 0 "[ . 1 . 2]" 1
1818 1 89 THR HB 1 90 VAL H . . 4.190 3.417 2.060 3.806 . 0 0 "[ . 1 . 2]" 1
1819 1 89 THR MG 1 90 VAL H . . 3.960 3.591 3.170 3.799 . 0 0 "[ . 1 . 2]" 1
1820 1 89 THR MG 1 91 SER H . . 5.120 4.052 2.180 4.970 . 0 0 "[ . 1 . 2]" 1
1821 1 90 VAL H 1 90 VAL HB . . 3.640 2.983 2.131 3.761 0.121 2 0 "[ . 1 . 2]" 1
1822 1 90 VAL H 1 90 VAL MG1 . . 3.870 2.579 1.880 3.708 . 0 0 "[ . 1 . 2]" 1
1823 1 90 VAL H 1 90 VAL QG . . 3.210 2.144 1.875 2.863 . 0 0 "[ . 1 . 2]" 1
1824 1 90 VAL H 1 90 VAL MG2 . . 3.870 2.876 1.952 3.818 . 0 0 "[ . 1 . 2]" 1
1825 1 90 VAL HA 1 90 VAL MG1 . . 3.500 2.757 2.394 3.217 . 0 0 "[ . 1 . 2]" 1
1826 1 90 VAL HA 1 90 VAL MG2 . . 3.500 2.663 2.225 3.206 . 0 0 "[ . 1 . 2]" 1
1827 1 90 VAL HA 1 91 SER H . . 3.200 2.661 2.182 3.427 0.227 16 0 "[ . 1 . 2]" 1
1828 1 90 VAL HB 1 91 SER H . . 4.520 4.239 3.252 4.593 0.073 11 0 "[ . 1 . 2]" 1
1829 1 90 VAL QG 1 91 SER H . . 3.510 2.878 2.149 3.462 . 0 0 "[ . 1 . 2]" 1
1830 1 90 VAL QG 1 133 CYS QB . . 3.380 2.531 2.129 3.029 . 0 0 "[ . 1 . 2]" 1
1831 1 90 VAL QG 1 134 HIS H . . 5.440 4.653 4.288 4.806 . 0 0 "[ . 1 . 2]" 1
1832 1 90 VAL MG1 1 91 SER H . . 4.380 3.803 2.730 4.280 . 0 0 "[ . 1 . 2]" 1
1833 1 90 VAL MG2 1 91 SER H . . 4.380 3.278 2.159 4.317 . 0 0 "[ . 1 . 2]" 1
1834 1 91 SER H 1 91 SER HB2 . . 4.060 2.935 2.173 3.755 . 0 0 "[ . 1 . 2]" 1
1835 1 91 SER H 1 91 SER QB . . 3.530 2.770 2.117 3.398 . 0 0 "[ . 1 . 2]" 1
1836 1 91 SER H 1 91 SER HB3 . . 4.060 3.555 2.895 4.049 . 0 0 "[ . 1 . 2]" 1
1837 1 91 SER H 1 93 GLN QG . . 5.100 6.009 3.780 7.310 2.210 16 12 "[ ***. * -* * *+ ***]" 1
1838 1 91 SER QB 1 94 ASP H . . 4.360 3.126 2.274 3.892 . 0 0 "[ . 1 . 2]" 1
1839 1 91 SER HB2 1 93 GLN QG . . 4.920 3.842 2.583 4.723 . 0 0 "[ . 1 . 2]" 1
1840 1 91 SER HB3 1 93 GLN QG . . 4.920 3.303 2.067 4.198 . 0 0 "[ . 1 . 2]" 1
1841 1 92 ALA HA 1 94 ASP H . . 4.600 3.911 3.626 4.219 . 0 0 "[ . 1 . 2]" 1
1842 1 92 ALA HA 1 135 THR MG . . 4.020 2.886 1.939 3.537 . 0 0 "[ . 1 . 2]" 1
1843 1 92 ALA MB 1 93 GLN QG . . 4.540 3.754 3.035 4.013 . 0 0 "[ . 1 . 2]" 1
1844 1 92 ALA MB 1 135 THR H . . 5.360 4.047 3.273 4.638 . 0 0 "[ . 1 . 2]" 1
1845 1 92 ALA MB 1 135 THR MG . . 3.590 2.501 1.893 3.492 . 0 0 "[ . 1 . 2]" 1
1846 1 93 GLN H 1 93 GLN QG . . 4.190 2.612 1.859 3.225 . 0 0 "[ . 1 . 2]" 1
1847 1 93 GLN H 1 94 ASP H . . 4.650 2.142 1.895 2.612 . 0 0 "[ . 1 . 2]" 1
1848 1 93 GLN HA 1 93 GLN QG . . 3.400 2.645 2.064 3.327 . 0 0 "[ . 1 . 2]" 1
1849 1 93 GLN QG 1 94 ASP H . . 4.550 3.761 2.227 4.453 . 0 0 "[ . 1 . 2]" 1
1850 1 93 GLN QG 1 94 ASP HA . . 4.120 5.095 3.210 5.837 1.717 18 14 "[ ***.** ** -* ***+*2]" 1
1851 1 94 ASP H 1 94 ASP QB . . 3.690 2.294 2.032 2.741 . 0 0 "[ . 1 . 2]" 1
1852 1 94 ASP HA 1 95 ARG H . . 3.070 2.403 2.253 2.627 . 0 0 "[ . 1 . 2]" 1
1853 1 94 ASP HA 1 95 ARG QB . . 5.340 4.083 3.950 4.201 . 0 0 "[ . 1 . 2]" 1
1854 1 94 ASP HA 1 95 ARG QG . . 5.500 5.217 4.079 5.971 0.471 4 0 "[ . 1 . 2]" 1
1855 1 94 ASP QB 1 95 ARG H . . 4.250 3.182 2.378 4.008 . 0 0 "[ . 1 . 2]" 1
1856 1 95 ARG H 1 95 ARG HB2 . . 4.200 2.878 2.515 3.308 . 0 0 "[ . 1 . 2]" 1
1857 1 95 ARG H 1 95 ARG QB . . 3.650 2.566 2.326 2.722 . 0 0 "[ . 1 . 2]" 1
1858 1 95 ARG H 1 95 ARG HB3 . . 4.200 3.111 2.593 3.731 . 0 0 "[ . 1 . 2]" 1
1859 1 95 ARG H 1 95 ARG QG . . 4.460 3.883 3.465 4.168 . 0 0 "[ . 1 . 2]" 1
1860 1 95 ARG H 1 96 PHE H . . 4.840 4.414 4.262 4.572 . 0 0 "[ . 1 . 2]" 1
1861 1 95 ARG HA 1 95 ARG HD2 . . 4.100 3.275 2.198 3.987 . 0 0 "[ . 1 . 2]" 1
1862 1 95 ARG HA 1 95 ARG QD . . 3.520 2.653 2.170 3.019 . 0 0 "[ . 1 . 2]" 1
1863 1 95 ARG HA 1 95 ARG HD3 . . 4.100 2.932 2.592 3.415 . 0 0 "[ . 1 . 2]" 1
1864 1 95 ARG HA 1 95 ARG QG . . 4.020 2.454 2.136 2.722 . 0 0 "[ . 1 . 2]" 1
1865 1 95 ARG HA 1 96 PHE H . . 3.270 2.355 2.276 2.486 . 0 0 "[ . 1 . 2]" 1
1866 1 95 ARG HA 1 96 PHE QD . . 4.700 3.793 3.526 4.191 . 0 0 "[ . 1 . 2]" 1
1867 1 95 ARG HA 1 132 ARG HA . . 3.870 3.487 3.135 3.785 . 0 0 "[ . 1 . 2]" 1
1868 1 95 ARG HA 1 133 CYS H . . 4.790 4.473 4.061 4.614 . 0 0 "[ . 1 . 2]" 1
1869 1 95 ARG QB 1 95 ARG QD . . 3.200 2.178 1.950 2.476 . 0 0 "[ . 1 . 2]" 1
1870 1 95 ARG HB2 1 96 PHE H . . 4.390 4.158 3.978 4.348 . 0 0 "[ . 1 . 2]" 1
1871 1 95 ARG HB3 1 96 PHE H . . 4.390 3.502 2.614 4.029 . 0 0 "[ . 1 . 2]" 1
1872 1 95 ARG QD 1 132 ARG H . . 5.340 4.605 4.140 5.220 . 0 0 "[ . 1 . 2]" 1
1873 1 95 ARG QD 1 132 ARG HA . . 3.660 2.847 2.259 3.404 . 0 0 "[ . 1 . 2]" 1
1874 1 95 ARG QD 1 132 ARG QB . . 4.130 2.983 1.953 3.811 . 0 0 "[ . 1 . 2]" 1
1875 1 95 ARG QD 1 133 CYS H . . 5.340 4.416 3.925 4.876 . 0 0 "[ . 1 . 2]" 1
1876 1 95 ARG HD2 1 96 PHE H . . 4.740 3.349 2.544 4.292 . 0 0 "[ . 1 . 2]" 1
1877 1 95 ARG HD2 1 132 ARG HA . . 4.380 3.456 2.286 4.171 . 0 0 "[ . 1 . 2]" 1
1878 1 95 ARG HD3 1 96 PHE H . . 4.740 3.948 3.470 4.559 . 0 0 "[ . 1 . 2]" 1
1879 1 95 ARG HD3 1 132 ARG HA . . 4.380 3.246 2.450 3.980 . 0 0 "[ . 1 . 2]" 1
1880 1 95 ARG QG 1 96 PHE H . . 4.460 2.842 1.940 4.237 . 0 0 "[ . 1 . 2]" 1
1881 1 95 ARG QG 1 132 ARG HA . . 4.420 4.065 3.288 4.585 0.165 12 0 "[ . 1 . 2]" 1
1882 1 95 ARG QG 1 133 CYS H . . 5.500 5.420 4.130 6.221 0.721 7 4 "[ - . + 1 * . * 2]" 1
1883 1 96 PHE H 1 96 PHE HB2 . . 4.020 2.221 2.141 2.292 . 0 0 "[ . 1 . 2]" 1
1884 1 96 PHE H 1 96 PHE QD . . 4.030 3.107 2.813 3.443 . 0 0 "[ . 1 . 2]" 1
1885 1 96 PHE H 1 97 LEU H . . 4.670 4.507 4.164 4.566 . 0 0 "[ . 1 . 2]" 1
1886 1 96 PHE H 1 130 ARG HA . . 4.740 4.611 4.371 4.694 . 0 0 "[ . 1 . 2]" 1
1887 1 96 PHE H 1 131 LEU H . . 3.890 3.039 2.634 3.342 . 0 0 "[ . 1 . 2]" 1
1888 1 96 PHE H 1 131 LEU QB . . 3.910 3.579 3.138 3.839 . 0 0 "[ . 1 . 2]" 1
1889 1 96 PHE H 1 132 ARG H . . 5.500 5.066 4.831 5.260 . 0 0 "[ . 1 . 2]" 1
1890 1 96 PHE H 1 132 ARG HA . . 4.670 3.714 3.467 4.032 . 0 0 "[ . 1 . 2]" 1
1891 1 96 PHE H 1 133 CYS H . . 5.500 5.438 4.978 5.625 0.125 2 0 "[ . 1 . 2]" 1
1892 1 96 PHE HA 1 97 LEU H . . 3.090 2.345 2.198 2.380 . 0 0 "[ . 1 . 2]" 1
1893 1 96 PHE HB2 1 97 LEU H . . 4.400 4.155 3.990 4.618 0.218 3 0 "[ . 1 . 2]" 1
1894 1 96 PHE HB2 1 98 ILE MD . . 5.150 4.098 3.893 4.224 . 0 0 "[ . 1 . 2]" 1
1895 1 96 PHE HB2 1 131 LEU H . . 4.140 2.889 2.541 3.325 . 0 0 "[ . 1 . 2]" 1
1896 1 96 PHE HB2 1 131 LEU HB2 . . 4.670 2.528 2.164 2.815 . 0 0 "[ . 1 . 2]" 1
1897 1 96 PHE HB2 1 131 LEU QB . . 3.940 2.221 1.990 2.474 . 0 0 "[ . 1 . 2]" 1
1898 1 96 PHE HB2 1 131 LEU HB3 . . 4.670 2.496 2.144 2.796 . 0 0 "[ . 1 . 2]" 1
1899 1 96 PHE HB2 1 131 LEU QD . . 4.550 3.664 3.297 3.994 . 0 0 "[ . 1 . 2]" 1
1900 1 96 PHE HB3 1 97 LEU H . . 4.080 2.967 2.771 3.922 . 0 0 "[ . 1 . 2]" 1
1901 1 96 PHE HB3 1 98 ILE MD . . 5.410 3.168 2.772 3.339 . 0 0 "[ . 1 . 2]" 1
1902 1 96 PHE HB3 1 131 LEU QB . . 4.550 2.646 2.396 2.913 . 0 0 "[ . 1 . 2]" 1
1903 1 96 PHE HB3 1 131 LEU QD . . 4.980 3.637 2.946 4.292 . 0 0 "[ . 1 . 2]" 1
1904 1 96 PHE QD 1 97 LEU H . . 4.970 3.371 2.953 4.279 . 0 0 "[ . 1 . 2]" 1
1905 1 96 PHE QD 1 131 LEU H . . 5.160 4.742 4.461 5.020 . 0 0 "[ . 1 . 2]" 1
1906 1 96 PHE QD 1 132 ARG HA . . 5.160 4.266 3.790 4.728 . 0 0 "[ . 1 . 2]" 1
1907 1 97 LEU H 1 97 LEU HB2 . . 3.540 3.233 2.755 3.381 . 0 0 "[ . 1 . 2]" 1
1908 1 97 LEU H 1 97 LEU HB3 . . 3.680 2.649 2.303 2.823 . 0 0 "[ . 1 . 2]" 1
1909 1 97 LEU H 1 97 LEU MD1 . . 4.800 3.987 3.616 4.303 . 0 0 "[ . 1 . 2]" 1
1910 1 97 LEU H 1 97 LEU QD . . 4.070 3.678 3.436 3.949 . 0 0 "[ . 1 . 2]" 1
1911 1 97 LEU H 1 97 LEU MD2 . . 4.800 4.345 4.090 4.629 . 0 0 "[ . 1 . 2]" 1
1912 1 97 LEU H 1 97 LEU HG . . 5.090 4.732 4.271 5.031 . 0 0 "[ . 1 . 2]" 1
1913 1 97 LEU HA 1 97 LEU MD1 . . 4.500 2.820 1.950 3.551 . 0 0 "[ . 1 . 2]" 1
1914 1 97 LEU HA 1 97 LEU QD . . 3.340 1.950 1.898 2.067 . 0 0 "[ . 1 . 2]" 1
1915 1 97 LEU HA 1 97 LEU MD2 . . 4.500 2.632 1.905 3.907 . 0 0 "[ . 1 . 2]" 1
1916 1 97 LEU HA 1 98 ILE H . . 3.090 2.264 2.189 2.314 . 0 0 "[ . 1 . 2]" 1
1917 1 97 LEU HA 1 98 ILE MD . . 4.900 3.866 3.578 4.210 . 0 0 "[ . 1 . 2]" 1
1918 1 97 LEU HA 1 130 ARG HA . . 3.690 2.032 1.965 2.173 . 0 0 "[ . 1 . 2]" 1
1919 1 97 LEU HA 1 130 ARG QG . . 4.460 2.619 2.177 2.914 . 0 0 "[ . 1 . 2]" 1
1920 1 97 LEU HA 1 131 LEU H . . 4.120 3.184 2.978 3.329 . 0 0 "[ . 1 . 2]" 1
1921 1 97 LEU HB2 1 97 LEU MD1 . . 3.640 2.929 2.437 3.199 . 0 0 "[ . 1 . 2]" 1
1922 1 97 LEU HB2 1 97 LEU QD . . 3.060 2.301 2.063 2.584 . 0 0 "[ . 1 . 2]" 1
1923 1 97 LEU HB2 1 97 LEU MD2 . . 3.640 2.428 2.225 2.796 . 0 0 "[ . 1 . 2]" 1
1924 1 97 LEU HB2 1 98 ILE H . . 4.720 4.096 3.954 4.562 . 0 0 "[ . 1 . 2]" 1
1925 1 97 LEU HB2 1 130 ARG QD . . 4.250 3.485 2.862 4.036 . 0 0 "[ . 1 . 2]" 1
1926 1 97 LEU HB3 1 97 LEU MD1 . . 3.530 2.555 2.123 3.216 . 0 0 "[ . 1 . 2]" 1
1927 1 97 LEU HB3 1 97 LEU QD . . 3.050 2.221 2.089 2.396 . 0 0 "[ . 1 . 2]" 1
1928 1 97 LEU HB3 1 97 LEU MD2 . . 3.530 2.915 2.300 3.219 . 0 0 "[ . 1 . 2]" 1
1929 1 97 LEU HB3 1 98 ILE H . . 4.270 4.166 4.055 4.455 0.185 15 0 "[ . 1 . 2]" 1
1930 1 97 LEU QD 1 98 ILE H . . 3.520 1.902 1.817 2.321 . 0 0 "[ . 1 . 2]" 1
1931 1 97 LEU QD 1 98 ILE HA . . 4.860 3.168 2.561 3.979 . 0 0 "[ . 1 . 2]" 1
1932 1 97 LEU QD 1 98 ILE HB . . 4.430 3.853 3.673 4.065 . 0 0 "[ . 1 . 2]" 1
1933 1 97 LEU QD 1 99 MET H . . 5.410 3.547 2.923 4.284 . 0 0 "[ . 1 . 2]" 1
1934 1 97 LEU QD 1 99 MET HA . . 5.440 3.440 3.157 3.757 . 0 0 "[ . 1 . 2]" 1
1935 1 97 LEU QD 1 99 MET HB2 . . 5.100 4.273 3.609 5.068 . 0 0 "[ . 1 . 2]" 1
1936 1 97 LEU QD 1 99 MET HB3 . . 5.060 4.434 4.009 5.069 0.009 13 0 "[ . 1 . 2]" 1
1937 1 97 LEU QD 1 99 MET ME . . 4.190 4.110 3.582 4.725 0.535 3 1 "[ + . 1 . 2]" 1
1938 1 97 LEU QD 1 99 MET HG2 . . 3.710 2.768 2.383 3.292 . 0 0 "[ . 1 . 2]" 1
1939 1 97 LEU QD 1 99 MET HG3 . . 3.680 2.386 1.770 3.447 . 0 0 "[ . 1 . 2]" 1
1940 1 97 LEU QD 1 128 GLU HA . . 3.950 2.692 2.289 2.866 . 0 0 "[ . 1 . 2]" 1
1941 1 97 LEU QD 1 128 GLU QB . . 3.310 1.971 1.722 2.301 . 0 0 "[ . 1 . 2]" 1
1942 1 97 LEU QD 1 128 GLU HG2 . . 3.530 2.671 1.902 3.261 . 0 0 "[ . 1 . 2]" 1
1943 1 97 LEU QD 1 129 HIS H . . 3.750 2.231 1.999 2.797 . 0 0 "[ . 1 . 2]" 1
1944 1 97 LEU QD 1 130 ARG HA . . 3.990 2.492 2.137 2.731 . 0 0 "[ . 1 . 2]" 1
1945 1 97 LEU QD 1 130 ARG QB . . 4.060 3.518 3.096 3.781 . 0 0 "[ . 1 . 2]" 1
1946 1 97 LEU QD 1 130 ARG QD . . 3.810 2.236 1.851 3.094 . 0 0 "[ . 1 . 2]" 1
1947 1 97 LEU QD 1 130 ARG QG . . 3.330 2.151 1.979 2.369 . 0 0 "[ . 1 . 2]" 1
1948 1 97 LEU QD 1 131 LEU H . . 4.980 4.239 4.054 4.471 . 0 0 "[ . 1 . 2]" 1
1949 1 97 LEU MD1 1 98 ILE H . . 4.760 2.363 1.872 4.034 . 0 0 "[ . 1 . 2]" 1
1950 1 97 LEU MD1 1 99 MET HG2 . . 4.320 2.924 2.417 4.054 . 0 0 "[ . 1 . 2]" 1
1951 1 97 LEU MD1 1 99 MET HG3 . . 4.550 2.577 1.785 3.964 . 0 0 "[ . 1 . 2]" 1
1952 1 97 LEU MD1 1 128 GLU HA . . 5.400 3.183 2.304 3.919 . 0 0 "[ . 1 . 2]" 1
1953 1 97 LEU MD1 1 128 GLU HG2 . . 4.330 2.965 1.970 3.698 . 0 0 "[ . 1 . 2]" 1
1954 1 97 LEU MD1 1 128 GLU HG3 . . 4.970 4.235 3.154 5.163 0.193 5 0 "[ . 1 . 2]" 1
1955 1 97 LEU MD1 1 130 ARG HA . . 5.430 3.960 2.420 4.792 . 0 0 "[ . 1 . 2]" 1
1956 1 97 LEU MD2 1 98 ILE H . . 4.760 2.756 1.892 4.389 . 0 0 "[ . 1 . 2]" 1
1957 1 97 LEU MD2 1 99 MET HG2 . . 4.320 3.860 3.478 4.234 . 0 0 "[ . 1 . 2]" 1
1958 1 97 LEU MD2 1 99 MET HG3 . . 4.550 3.594 2.906 3.937 . 0 0 "[ . 1 . 2]" 1
1959 1 97 LEU MD2 1 128 GLU HA . . 5.400 3.383 2.637 4.502 . 0 0 "[ . 1 . 2]" 1
1960 1 97 LEU MD2 1 128 GLU HG2 . . 4.330 3.129 2.092 3.811 . 0 0 "[ . 1 . 2]" 1
1961 1 97 LEU MD2 1 128 GLU HG3 . . 4.970 4.306 3.587 4.977 0.007 19 0 "[ . 1 . 2]" 1
1962 1 97 LEU MD2 1 130 ARG HA . . 5.430 3.263 2.140 4.749 . 0 0 "[ . 1 . 2]" 1
1963 1 97 LEU HG 1 99 MET HG2 . . 4.850 4.449 3.447 5.315 0.465 15 0 "[ . 1 . 2]" 1
1964 1 97 LEU HG 1 99 MET HG3 . . 4.710 3.959 2.779 5.240 0.530 15 1 "[ . 1 + 2]" 1
1965 1 98 ILE H 1 98 ILE HB . . 3.540 2.590 2.266 2.687 . 0 0 "[ . 1 . 2]" 1
1966 1 98 ILE H 1 98 ILE MD . . 4.040 3.407 2.870 3.691 . 0 0 "[ . 1 . 2]" 1
1967 1 98 ILE H 1 98 ILE HG12 . . 4.270 4.632 4.243 4.755 0.485 3 0 "[ . 1 . 2]" 1
1968 1 98 ILE H 1 98 ILE HG13 . . 4.420 3.495 3.068 3.671 . 0 0 "[ . 1 . 2]" 1
1969 1 98 ILE H 1 98 ILE MG . . 4.660 3.714 3.642 3.793 . 0 0 "[ . 1 . 2]" 1
1970 1 98 ILE H 1 99 MET HG3 . . 5.500 4.550 4.044 5.188 . 0 0 "[ . 1 . 2]" 1
1971 1 98 ILE H 1 129 HIS H . . 3.740 2.508 2.156 3.225 . 0 0 "[ . 1 . 2]" 1
1972 1 98 ILE H 1 130 ARG HA . . 4.140 3.408 3.193 3.606 . 0 0 "[ . 1 . 2]" 1
1973 1 98 ILE H 1 130 ARG QG . . 5.130 4.213 3.913 4.508 . 0 0 "[ . 1 . 2]" 1
1974 1 98 ILE H 1 131 LEU H . . 5.330 4.672 4.183 4.855 . 0 0 "[ . 1 . 2]" 1
1975 1 98 ILE HA 1 98 ILE MD . . 3.920 3.682 3.629 3.775 . 0 0 "[ . 1 . 2]" 1
1976 1 98 ILE HA 1 98 ILE HG12 . . 3.860 2.995 2.930 3.051 . 0 0 "[ . 1 . 2]" 1
1977 1 98 ILE HA 1 98 ILE HG13 . . 4.040 2.288 2.211 2.430 . 0 0 "[ . 1 . 2]" 1
1978 1 98 ILE HA 1 98 ILE MG . . 3.310 2.546 2.489 2.618 . 0 0 "[ . 1 . 2]" 1
1979 1 98 ILE HA 1 99 MET H . . 2.960 2.199 2.177 2.265 . 0 0 "[ . 1 . 2]" 1
1980 1 98 ILE HB 1 98 ILE MD . . 3.230 2.068 1.933 2.142 . 0 0 "[ . 1 . 2]" 1
1981 1 98 ILE HB 1 99 MET H . . 4.870 4.396 4.193 4.539 . 0 0 "[ . 1 . 2]" 1
1982 1 98 ILE HB 1 129 HIS H . . 4.040 3.555 3.175 3.909 . 0 0 "[ . 1 . 2]" 1
1983 1 98 ILE HB 1 129 HIS HB2 . . 4.640 4.288 3.879 4.559 . 0 0 "[ . 1 . 2]" 1
1984 1 98 ILE HB 1 129 HIS HB3 . . 4.120 2.626 2.161 2.894 . 0 0 "[ . 1 . 2]" 1
1985 1 98 ILE MD 1 99 MET H . . 5.500 5.245 5.115 5.352 . 0 0 "[ . 1 . 2]" 1
1986 1 98 ILE MD 1 129 HIS H . . 5.500 4.818 4.525 5.162 . 0 0 "[ . 1 . 2]" 1
1987 1 98 ILE MD 1 129 HIS HB2 . . 5.500 5.121 4.581 5.419 . 0 0 "[ . 1 . 2]" 1
1988 1 98 ILE MD 1 129 HIS HB3 . . 4.030 3.644 3.101 3.934 . 0 0 "[ . 1 . 2]" 1
1989 1 98 ILE MD 1 129 HIS HD2 . . 3.830 3.154 2.089 3.717 . 0 0 "[ . 1 . 2]" 1
1990 1 98 ILE MD 1 131 LEU H . . 4.750 3.720 3.320 4.047 . 0 0 "[ . 1 . 2]" 1
1991 1 98 ILE MD 1 131 LEU QD . . 2.730 1.790 1.644 1.987 . 0 0 "[ . 1 . 2]" 1
1992 1 98 ILE MD 1 131 LEU HG . . 3.700 3.358 3.143 3.438 . 0 0 "[ . 1 . 2]" 1
1993 1 98 ILE HG12 1 98 ILE MG . . 3.460 2.202 2.149 2.233 . 0 0 "[ . 1 . 2]" 1
1994 1 98 ILE HG12 1 99 MET H . . 4.730 4.557 4.238 4.805 0.075 13 0 "[ . 1 . 2]" 1
1995 1 98 ILE HG12 1 131 LEU QD . . 4.880 4.055 3.830 4.494 . 0 0 "[ . 1 . 2]" 1
1996 1 98 ILE HG13 1 98 ILE MG . . 3.240 3.085 3.056 3.117 . 0 0 "[ . 1 . 2]" 1
1997 1 98 ILE HG13 1 99 MET H . . 5.430 4.392 4.258 4.581 . 0 0 "[ . 1 . 2]" 1
1998 1 98 ILE HG13 1 129 HIS H . . 5.450 5.570 5.251 5.864 0.414 18 0 "[ . 1 . 2]" 1
1999 1 98 ILE HG13 1 131 LEU QD . . 4.260 4.017 3.759 4.386 0.126 6 0 "[ . 1 . 2]" 1
2000 1 98 ILE MG 1 99 MET H . . 3.440 2.721 2.350 2.975 . 0 0 "[ . 1 . 2]" 1
2001 1 98 ILE MG 1 99 MET HA . . 4.490 3.723 3.548 3.945 . 0 0 "[ . 1 . 2]" 1
2002 1 98 ILE MG 1 100 ALA HA . . 5.190 4.806 4.736 4.892 . 0 0 "[ . 1 . 2]" 1
2003 1 98 ILE MG 1 100 ALA MB . . 3.520 3.288 3.184 3.392 . 0 0 "[ . 1 . 2]" 1
2004 1 98 ILE MG 1 127 MET ME . . 4.460 3.413 2.753 3.804 . 0 0 "[ . 1 . 2]" 1
2005 1 98 ILE MG 1 129 HIS HB2 . . 5.430 4.210 3.612 4.671 . 0 0 "[ . 1 . 2]" 1
2006 1 98 ILE MG 1 129 HIS HB3 . . 4.200 3.226 2.658 3.665 . 0 0 "[ . 1 . 2]" 1
2007 1 98 ILE MG 1 129 HIS HD2 . . 5.500 4.406 4.093 4.610 . 0 0 "[ . 1 . 2]" 1
2008 1 99 MET H 1 99 MET HB2 . . 3.700 2.440 2.248 2.637 . 0 0 "[ . 1 . 2]" 1
2009 1 99 MET H 1 99 MET HB3 . . 3.970 3.610 3.514 3.720 . 0 0 "[ . 1 . 2]" 1
2010 1 99 MET H 1 99 MET ME . . 4.530 4.048 3.834 4.216 . 0 0 "[ . 1 . 2]" 1
2011 1 99 MET H 1 99 MET HG2 . . 4.200 3.812 3.470 4.164 . 0 0 "[ . 1 . 2]" 1
2012 1 99 MET H 1 99 MET HG3 . . 4.320 2.712 2.330 3.099 . 0 0 "[ . 1 . 2]" 1
2013 1 99 MET H 1 100 ALA H . . 4.780 4.568 4.519 4.619 . 0 0 "[ . 1 . 2]" 1
2014 1 99 MET H 1 100 ALA MB . . 5.010 4.700 4.571 4.815 . 0 0 "[ . 1 . 2]" 1
2015 1 99 MET HA 1 99 MET ME . . 4.510 4.135 3.969 4.232 . 0 0 "[ . 1 . 2]" 1
2016 1 99 MET HA 1 99 MET HG2 . . 4.010 2.668 2.207 3.095 . 0 0 "[ . 1 . 2]" 1
2017 1 99 MET HA 1 99 MET HG3 . . 4.090 2.947 2.597 3.294 . 0 0 "[ . 1 . 2]" 1
2018 1 99 MET HA 1 100 ALA H . . 2.960 2.407 2.376 2.463 . 0 0 "[ . 1 . 2]" 1
2019 1 99 MET HA 1 100 ALA MB . . 4.280 3.717 3.701 3.772 . 0 0 "[ . 1 . 2]" 1
2020 1 99 MET HA 1 126 VAL QG . . 3.800 3.378 3.093 3.695 . 0 0 "[ . 1 . 2]" 1
2021 1 99 MET HA 1 127 MET ME . . 5.460 4.118 3.850 4.341 . 0 0 "[ . 1 . 2]" 1
2022 1 99 MET HA 1 128 GLU HG2 . . 4.540 3.520 3.050 4.148 . 0 0 "[ . 1 . 2]" 1
2023 1 99 MET HB2 1 100 ALA H . . 4.260 3.832 3.641 3.974 . 0 0 "[ . 1 . 2]" 1
2024 1 99 MET HB2 1 118 TRP HH2 . . 4.570 2.852 2.275 3.875 . 0 0 "[ . 1 . 2]" 1
2025 1 99 MET HB3 1 100 ALA H . . 4.050 2.710 2.553 2.805 . 0 0 "[ . 1 . 2]" 1
2026 1 99 MET HB3 1 118 TRP HH2 . . 4.340 2.205 1.953 2.915 . 0 0 "[ . 1 . 2]" 1
2027 1 99 MET HB3 1 118 TRP HZ3 . . 4.770 2.861 2.524 3.491 . 0 0 "[ . 1 . 2]" 1
2028 1 99 MET HB3 1 126 VAL MG1 . . 4.730 3.137 2.190 3.778 . 0 0 "[ . 1 . 2]" 1
2029 1 99 MET HB3 1 126 VAL QG . . 3.400 2.254 1.928 2.832 . 0 0 "[ . 1 . 2]" 1
2030 1 99 MET HB3 1 126 VAL MG2 . . 4.730 2.985 1.940 4.684 . 0 0 "[ . 1 . 2]" 1
2031 1 99 MET ME 1 99 MET HG2 . . 3.840 2.926 2.490 3.374 . 0 0 "[ . 1 . 2]" 1
2032 1 99 MET ME 1 99 MET HG3 . . 3.760 3.080 2.647 3.371 . 0 0 "[ . 1 . 2]" 1
2033 1 99 MET ME 1 100 ALA H . . 5.450 4.399 4.116 4.555 . 0 0 "[ . 1 . 2]" 1
2034 1 99 MET ME 1 118 TRP HB3 . . 4.220 3.854 2.700 4.179 . 0 0 "[ . 1 . 2]" 1
2035 1 99 MET ME 1 118 TRP HE3 . . 4.190 2.909 2.668 3.390 . 0 0 "[ . 1 . 2]" 1
2036 1 99 MET ME 1 118 TRP HH2 . . 4.060 2.787 2.399 3.513 . 0 0 "[ . 1 . 2]" 1
2037 1 99 MET ME 1 118 TRP HZ3 . . 3.740 2.478 1.940 3.220 . 0 0 "[ . 1 . 2]" 1
2038 1 99 MET ME 1 126 VAL MG1 . . 4.050 3.116 2.099 3.562 . 0 0 "[ . 1 . 2]" 1
2039 1 99 MET ME 1 126 VAL QG . . 3.470 2.673 2.084 2.891 . 0 0 "[ . 1 . 2]" 1
2040 1 99 MET ME 1 126 VAL MG2 . . 4.050 3.163 2.737 3.559 . 0 0 "[ . 1 . 2]" 1
2041 1 99 MET HG2 1 100 ALA H . . 4.760 4.228 3.920 4.598 . 0 0 "[ . 1 . 2]" 1
2042 1 99 MET HG2 1 126 VAL QG . . 4.020 3.103 2.759 3.464 . 0 0 "[ . 1 . 2]" 1
2043 1 99 MET HG2 1 128 GLU HG2 . . 4.000 2.328 1.984 2.944 . 0 0 "[ . 1 . 2]" 1
2044 1 99 MET HG3 1 100 ALA H . . 5.430 4.884 4.641 5.043 . 0 0 "[ . 1 . 2]" 1
2045 1 99 MET HG3 1 118 TRP HH2 . . 5.340 5.005 4.660 5.862 0.522 17 1 "[ . 1 . + 2]" 1
2046 1 99 MET HG3 1 126 VAL QG . . 4.960 4.133 3.881 4.359 . 0 0 "[ . 1 . 2]" 1
2047 1 99 MET HG3 1 128 GLU HG2 . . 4.040 3.437 3.001 3.827 . 0 0 "[ . 1 . 2]" 1
2048 1 100 ALA H 1 100 ALA MB . . 3.470 2.755 2.707 2.803 . 0 0 "[ . 1 . 2]" 1
2049 1 100 ALA H 1 101 ALA H . . 4.500 3.946 3.903 4.066 . 0 0 "[ . 1 . 2]" 1
2050 1 100 ALA H 1 118 TRP HH2 . . 4.330 2.941 2.461 3.299 . 0 0 "[ . 1 . 2]" 1
2051 1 100 ALA H 1 126 VAL HA . . 4.710 4.090 3.621 4.203 . 0 0 "[ . 1 . 2]" 1
2052 1 100 ALA H 1 126 VAL QG . . 3.490 2.343 1.826 3.295 . 0 0 "[ . 1 . 2]" 1
2053 1 100 ALA H 1 127 MET H . . 3.690 2.772 2.540 2.950 . 0 0 "[ . 1 . 2]" 1
2054 1 100 ALA H 1 127 MET QB . . 5.060 3.044 2.746 3.273 . 0 0 "[ . 1 . 2]" 1
2055 1 100 ALA H 1 127 MET ME . . 4.800 3.747 3.518 3.984 . 0 0 "[ . 1 . 2]" 1
2056 1 100 ALA H 1 127 MET QG . . 5.190 4.506 4.179 5.079 . 0 0 "[ . 1 . 2]" 1
2057 1 100 ALA H 1 128 GLU HA . . 4.490 4.045 3.709 4.323 . 0 0 "[ . 1 . 2]" 1
2058 1 100 ALA H 1 128 GLU HG3 . . 5.500 4.639 4.340 4.910 . 0 0 "[ . 1 . 2]" 1
2059 1 100 ALA HA 1 101 ALA H . . 3.050 2.187 2.186 2.195 . 0 0 "[ . 1 . 2]" 1
2060 1 100 ALA HA 1 101 ALA MB . . 4.310 3.916 3.869 3.985 . 0 0 "[ . 1 . 2]" 1
2061 1 100 ALA HA 1 118 TRP HH2 . . 3.820 2.967 2.214 3.335 . 0 0 "[ . 1 . 2]" 1
2062 1 100 ALA HA 1 118 TRP HZ2 . . 4.180 3.727 3.090 4.088 . 0 0 "[ . 1 . 2]" 1
2063 1 100 ALA MB 1 101 ALA H . . 3.300 3.361 3.272 3.381 0.081 10 0 "[ . 1 . 2]" 1
2064 1 100 ALA MB 1 118 TRP HH2 . . 4.470 4.282 3.688 4.591 0.121 13 0 "[ . 1 . 2]" 1
2065 1 100 ALA MB 1 127 MET H . . 4.400 3.602 3.363 4.019 . 0 0 "[ . 1 . 2]" 1
2066 1 100 ALA MB 1 127 MET HB2 . . 4.370 3.700 3.300 4.026 . 0 0 "[ . 1 . 2]" 1
2067 1 100 ALA MB 1 127 MET QB . . 3.570 2.416 2.013 2.653 . 0 0 "[ . 1 . 2]" 1
2068 1 100 ALA MB 1 127 MET HB3 . . 4.370 2.449 2.031 2.691 . 0 0 "[ . 1 . 2]" 1
2069 1 100 ALA MB 1 127 MET ME . . 3.210 1.822 1.697 1.928 . 0 0 "[ . 1 . 2]" 1
2070 1 100 ALA MB 1 127 MET QG . . 4.260 3.799 3.385 4.029 . 0 0 "[ . 1 . 2]" 1
2071 1 101 ALA H 1 101 ALA MB . . 3.380 2.444 2.379 2.567 . 0 0 "[ . 1 . 2]" 1
2072 1 101 ALA H 1 102 GLU H . . 4.470 4.347 4.290 4.415 . 0 0 "[ . 1 . 2]" 1
2073 1 101 ALA H 1 117 PHE QE . . 3.890 3.429 3.087 3.778 . 0 0 "[ . 1 . 2]" 1
2074 1 101 ALA H 1 117 PHE HZ . . 4.770 4.574 4.084 5.137 0.367 14 0 "[ . 1 . 2]" 1
2075 1 101 ALA H 1 118 TRP HH2 . . 3.880 3.250 2.218 3.681 . 0 0 "[ . 1 . 2]" 1
2076 1 101 ALA H 1 118 TRP HZ2 . . 4.200 3.925 3.500 4.216 0.016 11 0 "[ . 1 . 2]" 1
2077 1 101 ALA H 1 121 VAL QG . . 5.420 4.538 4.454 4.653 . 0 0 "[ . 1 . 2]" 1
2078 1 101 ALA H 1 127 MET H . . 5.200 4.557 4.423 4.920 . 0 0 "[ . 1 . 2]" 1
2079 1 101 ALA MB 1 102 GLU H . . 3.380 3.111 3.016 3.191 . 0 0 "[ . 1 . 2]" 1
2080 1 101 ALA MB 1 117 PHE QE . . 3.230 2.271 1.825 2.800 . 0 0 "[ . 1 . 2]" 1
2081 1 101 ALA MB 1 117 PHE HZ . . 3.090 2.268 1.965 2.692 . 0 0 "[ . 1 . 2]" 1
2082 1 101 ALA MB 1 118 TRP HA . . 4.960 4.557 4.069 4.771 . 0 0 "[ . 1 . 2]" 1
2083 1 101 ALA MB 1 118 TRP HH2 . . 3.970 3.080 2.424 3.487 . 0 0 "[ . 1 . 2]" 1
2084 1 101 ALA MB 1 118 TRP HZ2 . . 4.690 4.169 3.801 4.362 . 0 0 "[ . 1 . 2]" 1
2085 1 101 ALA MB 1 118 TRP HZ3 . . 4.230 3.009 1.987 3.431 . 0 0 "[ . 1 . 2]" 1
2086 1 101 ALA MB 1 121 VAL HA . . 5.500 4.831 4.719 4.910 . 0 0 "[ . 1 . 2]" 1
2087 1 101 ALA MB 1 121 VAL QG . . 3.050 1.867 1.745 1.983 . 0 0 "[ . 1 . 2]" 1
2088 1 101 ALA MB 1 125 LYS HB2 . . 4.750 4.019 3.670 4.256 . 0 0 "[ . 1 . 2]" 1
2089 1 101 ALA MB 1 125 LYS QB . . 4.090 3.661 3.300 3.855 . 0 0 "[ . 1 . 2]" 1
2090 1 101 ALA MB 1 125 LYS HB3 . . 4.750 4.222 3.741 4.409 . 0 0 "[ . 1 . 2]" 1
2091 1 101 ALA MB 1 126 VAL H . . 4.410 3.917 3.578 4.643 0.233 16 0 "[ . 1 . 2]" 1
2092 1 101 ALA MB 1 126 VAL HA . . 3.400 2.152 1.940 2.691 . 0 0 "[ . 1 . 2]" 1
2093 1 101 ALA MB 1 126 VAL QG . . 3.680 2.093 1.796 2.753 . 0 0 "[ . 1 . 2]" 1
2094 1 101 ALA MB 1 127 MET H . . 4.110 3.509 3.175 4.033 . 0 0 "[ . 1 . 2]" 1
2095 1 102 GLU H 1 102 GLU HB2 . . 3.430 2.103 2.065 2.150 . 0 0 "[ . 1 . 2]" 1
2096 1 102 GLU H 1 102 GLU HB3 . . 3.580 2.993 2.902 3.090 . 0 0 "[ . 1 . 2]" 1
2097 1 102 GLU H 1 102 GLU HG2 . . 4.520 4.267 3.807 4.392 . 0 0 "[ . 1 . 2]" 1
2098 1 102 GLU H 1 102 GLU QG . . 3.970 3.672 3.614 3.759 . 0 0 "[ . 1 . 2]" 1
2099 1 102 GLU H 1 102 GLU HG3 . . 4.520 4.047 3.874 4.501 . 0 0 "[ . 1 . 2]" 1
2100 1 102 GLU H 1 117 PHE HZ . . 4.860 3.782 3.380 4.201 . 0 0 "[ . 1 . 2]" 1
2101 1 102 GLU H 1 121 VAL QG . . 4.520 4.142 3.914 4.362 . 0 0 "[ . 1 . 2]" 1
2102 1 102 GLU HA 1 102 GLU QG . . 3.730 2.207 2.134 2.582 . 0 0 "[ . 1 . 2]" 1
2103 1 102 GLU HA 1 103 MET H . . 3.040 2.210 2.202 2.235 . 0 0 "[ . 1 . 2]" 1
2104 1 102 GLU HA 1 103 MET QB . . 5.020 4.146 3.995 4.306 . 0 0 "[ . 1 . 2]" 1
2105 1 102 GLU HB2 1 103 MET H . . 4.490 4.577 4.493 4.650 0.160 13 0 "[ . 1 . 2]" 1
2106 1 102 GLU HB3 1 103 MET H . . 4.090 3.963 3.754 4.120 0.030 13 0 "[ . 1 . 2]" 1
2107 1 102 GLU HB3 1 103 MET HA . . 5.220 4.658 4.544 4.714 . 0 0 "[ . 1 . 2]" 1
2108 1 102 GLU QG 1 103 MET H . . 3.930 3.083 2.674 3.996 0.066 12 0 "[ . 1 . 2]" 1
2109 1 102 GLU QG 1 103 MET HA . . 5.340 5.045 4.823 5.765 0.425 1 0 "[ . 1 . 2]" 1
2110 1 102 GLU HG2 1 103 MET H . . 4.520 3.170 2.704 4.348 . 0 0 "[ . 1 . 2]" 1
2111 1 102 GLU HG3 1 103 MET H . . 4.520 4.373 4.142 4.661 0.141 12 0 "[ . 1 . 2]" 1
2112 1 103 MET H 1 103 MET QB . . 3.670 2.143 2.034 2.293 . 0 0 "[ . 1 . 2]" 1
2113 1 103 MET H 1 103 MET HG2 . . 3.910 3.919 3.603 4.217 0.307 18 0 "[ . 1 . 2]" 1
2114 1 103 MET H 1 103 MET HG3 . . 3.910 3.280 2.641 4.061 0.151 9 0 "[ . 1 . 2]" 1
2115 1 103 MET HA 1 103 MET HG2 . . 4.230 2.344 2.003 2.684 . 0 0 "[ . 1 . 2]" 1
2116 1 103 MET HA 1 103 MET QG . . 3.490 2.206 1.986 2.397 . 0 0 "[ . 1 . 2]" 1
2117 1 103 MET HA 1 103 MET HG3 . . 4.230 2.982 2.480 3.444 . 0 0 "[ . 1 . 2]" 1
2118 1 103 MET HA 1 104 GLU H . . 2.950 2.585 2.572 2.593 . 0 0 "[ . 1 . 2]" 1
2119 1 103 MET HA 1 104 GLU HA . . 4.390 4.272 4.259 4.308 . 0 0 "[ . 1 . 2]" 1
2120 1 103 MET HA 1 104 GLU QB . . 5.340 4.790 4.379 4.935 . 0 0 "[ . 1 . 2]" 1
2121 1 103 MET HA 1 104 GLU QG . . 5.340 3.675 3.394 4.254 . 0 0 "[ . 1 . 2]" 1
2122 1 103 MET HA 1 117 PHE QE . . 3.690 2.369 1.993 3.029 . 0 0 "[ . 1 . 2]" 1
2123 1 103 MET HA 1 117 PHE HZ . . 4.380 2.682 2.237 3.133 . 0 0 "[ . 1 . 2]" 1
2124 1 103 MET QB 1 103 MET ME . . 3.840 2.784 2.584 2.916 . 0 0 "[ . 1 . 2]" 1
2125 1 103 MET QB 1 104 GLU H . . 3.600 2.369 2.249 2.575 . 0 0 "[ . 1 . 2]" 1
2126 1 103 MET QB 1 105 GLN H . . 4.720 5.329 5.075 5.578 0.858 20 15 "[ **********-*.* * +]" 1
2127 1 103 MET QB 1 107 SER QB . . 4.040 3.100 2.441 3.583 . 0 0 "[ . 1 . 2]" 1
2128 1 103 MET ME 1 103 MET QG . . 2.950 2.141 1.997 2.221 . 0 0 "[ . 1 . 2]" 1
2129 1 103 MET ME 1 104 GLU H . . 5.500 4.200 3.977 4.303 . 0 0 "[ . 1 . 2]" 1
2130 1 103 MET ME 1 107 SER H . . 4.590 4.856 3.796 5.780 1.190 2 7 "[ + * -* 1 *.** 2]" 1
2131 1 103 MET ME 1 107 SER HA . . 5.010 3.747 2.015 4.596 . 0 0 "[ . 1 . 2]" 1
2132 1 103 MET ME 1 107 SER QB . . 3.300 2.067 1.756 2.717 . 0 0 "[ . 1 . 2]" 1
2133 1 103 MET ME 1 108 GLY H . . 5.500 3.959 2.938 4.441 . 0 0 "[ . 1 . 2]" 1
2134 1 103 MET ME 1 109 THR H . . 4.840 3.684 2.529 5.159 0.319 15 0 "[ . 1 . 2]" 1
2135 1 103 MET ME 1 109 THR HA . . 3.460 3.275 2.748 3.435 . 0 0 "[ . 1 . 2]" 1
2136 1 103 MET ME 1 109 THR MG . . 3.360 3.050 2.632 3.287 . 0 0 "[ . 1 . 2]" 1
2137 1 103 MET ME 1 113 GLU HB2 . . 4.380 4.074 3.649 4.289 . 0 0 "[ . 1 . 2]" 1
2138 1 103 MET ME 1 114 LEU HA . . 3.600 3.175 2.879 3.514 . 0 0 "[ . 1 . 2]" 1
2139 1 103 MET ME 1 114 LEU QD . . 2.990 2.371 1.908 2.738 . 0 0 "[ . 1 . 2]" 1
2140 1 103 MET ME 1 117 PHE H . . 4.970 4.350 4.015 4.548 . 0 0 "[ . 1 . 2]" 1
2141 1 103 MET ME 1 117 PHE QB . . 3.370 2.574 2.103 2.981 . 0 0 "[ . 1 . 2]" 1
2142 1 103 MET ME 1 117 PHE QD . . 3.600 3.044 2.354 3.534 . 0 0 "[ . 1 . 2]" 1
2143 1 103 MET QG 1 104 GLU H . . 4.530 3.418 3.051 3.688 . 0 0 "[ . 1 . 2]" 1
2144 1 103 MET QG 1 107 SER QB . . 5.340 3.977 3.416 4.241 . 0 0 "[ . 1 . 2]" 1
2145 1 103 MET QG 1 117 PHE QB . . 5.070 3.358 3.014 3.712 . 0 0 "[ . 1 . 2]" 1
2146 1 103 MET QG 1 117 PHE QE . . 4.700 2.475 2.306 2.660 . 0 0 "[ . 1 . 2]" 1
2147 1 104 GLU H 1 104 GLU HB2 . . 3.800 2.629 2.151 3.514 . 0 0 "[ . 1 . 2]" 1
2148 1 104 GLU H 1 104 GLU QB . . 3.020 2.529 2.130 2.750 . 0 0 "[ . 1 . 2]" 1
2149 1 104 GLU H 1 104 GLU HB3 . . 3.800 3.498 2.872 3.574 . 0 0 "[ . 1 . 2]" 1
2150 1 104 GLU H 1 104 GLU HG2 . . 3.690 2.428 1.901 3.390 . 0 0 "[ . 1 . 2]" 1
2151 1 104 GLU H 1 104 GLU QG . . 3.190 2.188 1.807 3.125 . 0 0 "[ . 1 . 2]" 1
2152 1 104 GLU H 1 104 GLU HG3 . . 3.690 2.584 1.988 3.662 . 0 0 "[ . 1 . 2]" 1
2153 1 104 GLU H 1 105 GLN H . . 3.770 4.247 4.111 4.477 0.707 10 6 "[ . ** + - .* *]" 1
2154 1 104 GLU H 1 117 PHE QE . . 4.260 3.884 3.232 4.574 0.314 9 0 "[ . 1 . 2]" 1
2155 1 104 GLU HA 1 104 GLU HG2 . . 4.000 2.572 2.155 3.720 . 0 0 "[ . 1 . 2]" 1
2156 1 104 GLU HA 1 104 GLU QG . . 3.420 2.509 2.136 3.287 . 0 0 "[ . 1 . 2]" 1
2157 1 104 GLU HA 1 104 GLU HG3 . . 4.000 3.640 3.404 3.816 . 0 0 "[ . 1 . 2]" 1
2158 1 104 GLU QB 1 105 GLN QG . . 4.820 3.235 2.553 4.039 . 0 0 "[ . 1 . 2]" 1
2159 1 104 GLU HB2 1 105 GLN H . . 4.070 2.358 1.846 3.425 . 0 0 "[ . 1 . 2]" 1
2160 1 104 GLU HB3 1 105 GLN H . . 4.070 2.040 1.851 3.318 . 0 0 "[ . 1 . 2]" 1
2161 1 104 GLU HG2 1 105 GLN H . . 4.760 4.352 3.994 4.574 . 0 0 "[ . 1 . 2]" 1
2162 1 104 GLU HG3 1 105 GLN H . . 4.760 4.284 3.667 4.494 . 0 0 "[ . 1 . 2]" 1
2163 1 105 GLN H 1 105 GLN HB2 . . 4.040 2.975 2.233 3.694 . 0 0 "[ . 1 . 2]" 1
2164 1 105 GLN H 1 105 GLN QB . . 3.330 2.501 2.209 2.987 . 0 0 "[ . 1 . 2]" 1
2165 1 105 GLN H 1 105 GLN HB3 . . 4.040 3.166 2.425 3.632 . 0 0 "[ . 1 . 2]" 1
2166 1 105 GLN H 1 105 GLN QG . . 3.970 2.243 1.819 2.916 . 0 0 "[ . 1 . 2]" 1
2167 1 105 GLN HA 1 105 GLN QG . . 3.510 2.856 2.132 3.351 . 0 0 "[ . 1 . 2]" 1
2168 1 105 GLN QB 1 107 SER H . . 5.340 5.640 5.193 6.648 1.308 2 4 "[ + . -1 . * *]" 1
2169 1 105 GLN HB2 1 106 SER H . . 4.830 2.452 1.930 3.941 . 0 0 "[ . 1 . 2]" 1
2170 1 105 GLN HB3 1 106 SER H . . 4.830 3.209 2.139 4.185 . 0 0 "[ . 1 . 2]" 1
2171 1 105 GLN QG 1 106 SER H . . 4.700 3.081 1.888 3.998 . 0 0 "[ . 1 . 2]" 1
2172 1 106 SER H 1 107 SER H . . 4.740 4.425 4.260 4.588 . 0 0 "[ . 1 . 2]" 1
2173 1 107 SER H 1 107 SER QB . . 3.520 2.732 2.287 3.270 . 0 0 "[ . 1 . 2]" 1
2174 1 107 SER H 1 108 GLY H . . 5.080 4.247 3.747 4.533 . 0 0 "[ . 1 . 2]" 1
2175 1 107 SER HA 1 108 GLY H . . 3.160 2.309 2.215 2.719 . 0 0 "[ . 1 . 2]" 1
2176 1 107 SER QB 1 108 GLY H . . 3.600 3.168 2.127 3.719 0.119 17 0 "[ . 1 . 2]" 1
2177 1 107 SER QB 1 109 THR H . . 4.180 3.769 2.024 6.049 1.869 1 7 "[+ * . * * - **2]" 1
2178 1 107 SER QB 1 109 THR MG . . 4.700 3.152 1.915 4.454 . 0 0 "[ . 1 . 2]" 1
2179 1 107 SER QB 1 114 LEU QD . . 5.440 4.337 3.919 4.772 . 0 0 "[ . 1 . 2]" 1
2180 1 108 GLY H 1 109 THR H . . 3.760 3.189 1.982 4.666 0.906 19 7 "[- * . * * * *+2]" 1
2181 1 108 GLY H 1 113 GLU QG . . 4.360 2.804 2.102 3.530 . 0 0 "[ . 1 . 2]" 1
2182 1 108 GLY QA 1 109 THR H . . 3.090 2.710 2.174 2.987 . 0 0 "[ . 1 . 2]" 1
2183 1 108 GLY QA 1 109 THR MG . . 4.470 3.562 2.908 3.965 . 0 0 "[ . 1 . 2]" 1
2184 1 108 GLY QA 1 113 GLU HB3 . . 5.090 4.018 3.463 4.578 . 0 0 "[ . 1 . 2]" 1
2185 1 108 GLY QA 1 113 GLU QG . . 3.840 2.572 2.048 2.949 . 0 0 "[ . 1 . 2]" 1
2186 1 109 THR H 1 109 THR MG . . 3.580 2.444 2.114 3.061 . 0 0 "[ . 1 . 2]" 1
2187 1 109 THR H 1 110 GLY H . . 3.280 2.999 2.225 3.539 0.259 15 0 "[ . 1 . 2]" 1
2188 1 109 THR H 1 113 GLU HB2 . . 4.670 3.799 3.115 4.931 0.261 15 0 "[ . 1 . 2]" 1
2189 1 109 THR H 1 114 LEU QD . . 5.440 3.839 3.142 4.832 . 0 0 "[ . 1 . 2]" 1
2190 1 109 THR HA 1 109 THR MG . . 3.120 2.425 2.278 2.595 . 0 0 "[ . 1 . 2]" 1
2191 1 109 THR HA 1 110 GLY H . . 3.570 2.750 2.441 3.088 . 0 0 "[ . 1 . 2]" 1
2192 1 109 THR HA 1 113 GLU HB2 . . 4.230 3.760 3.326 4.153 . 0 0 "[ . 1 . 2]" 1
2193 1 109 THR HA 1 113 GLU HB3 . . 4.460 4.065 3.601 4.358 . 0 0 "[ . 1 . 2]" 1
2194 1 109 THR HA 1 114 LEU H . . 4.780 4.394 3.923 4.584 . 0 0 "[ . 1 . 2]" 1
2195 1 109 THR HA 1 114 LEU MD1 . . 4.060 3.276 3.089 3.505 . 0 0 "[ . 1 . 2]" 1
2196 1 109 THR HA 1 114 LEU QD . . 3.540 2.164 1.702 2.638 . 0 0 "[ . 1 . 2]" 1
2197 1 109 THR HA 1 114 LEU MD2 . . 4.060 2.218 1.710 2.762 . 0 0 "[ . 1 . 2]" 1
2198 1 109 THR HA 1 114 LEU HG . . 4.610 3.263 2.544 4.371 . 0 0 "[ . 1 . 2]" 1
2199 1 109 THR HB 1 114 LEU MD1 . . 4.680 3.879 3.016 4.158 . 0 0 "[ . 1 . 2]" 1
2200 1 109 THR HB 1 114 LEU QD . . 4.010 3.151 2.496 3.611 . 0 0 "[ . 1 . 2]" 1
2201 1 109 THR HB 1 114 LEU MD2 . . 4.680 3.465 2.518 3.994 . 0 0 "[ . 1 . 2]" 1
2202 1 109 THR MG 1 110 GLY H . . 4.350 4.371 4.323 4.408 0.058 5 0 "[ . 1 . 2]" 1
2203 1 109 THR MG 1 114 LEU QD . . 4.490 3.199 2.902 3.428 . 0 0 "[ . 1 . 2]" 1
2204 1 110 GLY H 1 111 PRO QD . . 4.300 4.139 4.032 4.214 . 0 0 "[ . 1 . 2]" 1
2205 1 110 GLY H 1 113 GLU H . . 4.020 3.788 3.577 4.121 0.101 19 0 "[ . 1 . 2]" 1
2206 1 110 GLY H 1 113 GLU HB2 . . 3.660 2.186 1.909 2.688 . 0 0 "[ . 1 . 2]" 1
2207 1 110 GLY H 1 113 GLU HB3 . . 4.010 3.524 2.909 4.164 0.154 12 0 "[ . 1 . 2]" 1
2208 1 110 GLY H 1 113 GLU QG . . 4.290 3.499 2.747 4.246 . 0 0 "[ . 1 . 2]" 1
2209 1 110 GLY QA 1 111 PRO HA . . 4.260 3.966 3.961 3.972 . 0 0 "[ . 1 . 2]" 1
2210 1 110 GLY QA 1 113 GLU H . . 4.480 3.741 3.497 3.884 . 0 0 "[ . 1 . 2]" 1
2211 1 110 GLY QA 1 114 LEU H . . 5.280 4.179 3.940 4.391 . 0 0 "[ . 1 . 2]" 1
2212 1 110 GLY HA2 1 111 PRO QD . . 3.420 2.339 2.202 2.508 . 0 0 "[ . 1 . 2]" 1
2213 1 110 GLY HA3 1 111 PRO QD . . 3.420 2.205 2.087 2.318 . 0 0 "[ . 1 . 2]" 1
2214 1 111 PRO HA 1 114 LEU H . . 4.780 4.166 4.098 4.235 . 0 0 "[ . 1 . 2]" 1
2215 1 111 PRO HA 1 114 LEU HB2 . . 4.020 3.262 3.056 3.621 . 0 0 "[ . 1 . 2]" 1
2216 1 111 PRO HA 1 114 LEU HB3 . . 5.210 4.786 4.537 5.215 0.005 2 0 "[ . 1 . 2]" 1
2217 1 111 PRO HA 1 114 LEU QD . . 4.480 3.486 2.956 3.965 . 0 0 "[ . 1 . 2]" 1
2218 1 111 PRO HA 1 114 LEU HG . . 5.040 4.593 4.368 4.732 . 0 0 "[ . 1 . 2]" 1
2219 1 111 PRO HA 1 115 SER H . . 4.530 4.004 3.727 4.383 . 0 0 "[ . 1 . 2]" 1
2220 1 111 PRO HB2 1 112 ALA MB . . 4.170 4.199 3.885 4.391 0.221 12 0 "[ . 1 . 2]" 1
2221 1 112 ALA H 1 113 GLU H . . 4.090 2.618 2.439 2.744 . 0 0 "[ . 1 . 2]" 1
2222 1 112 ALA HA 1 114 LEU H . . 5.320 4.323 3.923 4.529 . 0 0 "[ . 1 . 2]" 1
2223 1 112 ALA HA 1 115 SER H . . 3.920 3.574 3.432 3.724 . 0 0 "[ . 1 . 2]" 1
2224 1 112 ALA HA 1 115 SER HB2 . . 4.190 2.856 2.416 3.380 . 0 0 "[ . 1 . 2]" 1
2225 1 112 ALA HA 1 115 SER QB . . 3.460 2.654 2.373 2.922 . 0 0 "[ . 1 . 2]" 1
2226 1 112 ALA HA 1 115 SER HB3 . . 4.190 3.363 2.825 3.793 . 0 0 "[ . 1 . 2]" 1
2227 1 112 ALA HA 1 116 GLN H . . 4.770 3.946 3.580 4.331 . 0 0 "[ . 1 . 2]" 1
2228 1 112 ALA MB 1 113 GLU H . . 3.310 2.026 1.919 2.192 . 0 0 "[ . 1 . 2]" 1
2229 1 112 ALA MB 1 113 GLU HA . . 4.170 3.648 3.629 3.663 . 0 0 "[ . 1 . 2]" 1
2230 1 112 ALA MB 1 113 GLU QG . . 4.090 3.427 3.162 3.897 . 0 0 "[ . 1 . 2]" 1
2231 1 112 ALA MB 1 114 LEU H . . 4.920 4.319 4.160 4.512 . 0 0 "[ . 1 . 2]" 1
2232 1 112 ALA MB 1 115 SER H . . 4.990 4.778 4.660 4.912 . 0 0 "[ . 1 . 2]" 1
2233 1 112 ALA MB 1 115 SER QB . . 4.580 4.001 3.843 4.191 . 0 0 "[ . 1 . 2]" 1
2234 1 113 GLU H 1 113 GLU HB2 . . 3.260 2.409 2.303 2.491 . 0 0 "[ . 1 . 2]" 1
2235 1 113 GLU H 1 113 GLU HB3 . . 3.750 3.563 3.536 3.585 . 0 0 "[ . 1 . 2]" 1
2236 1 113 GLU H 1 113 GLU HG2 . . 3.820 2.813 2.296 4.108 0.288 4 0 "[ . 1 . 2]" 1
2237 1 113 GLU H 1 113 GLU QG . . 3.230 2.505 2.242 2.936 . 0 0 "[ . 1 . 2]" 1
2238 1 113 GLU H 1 113 GLU HG3 . . 3.820 3.063 2.954 3.195 . 0 0 "[ . 1 . 2]" 1
2239 1 113 GLU H 1 114 LEU H . . 3.280 3.071 3.015 3.175 . 0 0 "[ . 1 . 2]" 1
2240 1 113 GLU H 1 116 GLN H . . 5.090 4.710 4.539 4.869 . 0 0 "[ . 1 . 2]" 1
2241 1 113 GLU HA 1 113 GLU HG2 . . 3.930 2.464 2.210 3.386 . 0 0 "[ . 1 . 2]" 1
2242 1 113 GLU HA 1 113 GLU QG . . 3.150 2.207 2.026 2.357 . 0 0 "[ . 1 . 2]" 1
2243 1 113 GLU HA 1 113 GLU HG3 . . 3.930 3.263 2.050 3.627 . 0 0 "[ . 1 . 2]" 1
2244 1 113 GLU HA 1 116 GLN H . . 4.260 3.676 3.499 3.894 . 0 0 "[ . 1 . 2]" 1
2245 1 113 GLU HB2 1 114 LEU H . . 3.700 2.709 2.563 2.873 . 0 0 "[ . 1 . 2]" 1
2246 1 113 GLU HB2 1 114 LEU QD . . 4.990 3.505 2.515 4.249 . 0 0 "[ . 1 . 2]" 1
2247 1 113 GLU HB2 1 115 SER H . . 5.130 5.513 5.349 5.666 0.536 2 2 "[ + . 1 - 2]" 1
2248 1 113 GLU HB3 1 114 LEU H . . 4.280 3.391 3.064 3.599 . 0 0 "[ . 1 . 2]" 1
2249 1 113 GLU QG 1 114 LEU H . . 4.040 4.302 4.248 4.430 0.390 17 0 "[ . 1 . 2]" 1
2250 1 113 GLU HG2 1 114 LEU H . . 4.760 4.802 4.663 5.104 0.344 17 0 "[ . 1 . 2]" 1
2251 1 113 GLU HG3 1 114 LEU H . . 4.760 4.867 4.819 4.990 0.230 2 0 "[ . 1 . 2]" 1
2252 1 114 LEU H 1 114 LEU HB2 . . 3.330 2.285 2.122 2.378 . 0 0 "[ . 1 . 2]" 1
2253 1 114 LEU H 1 114 LEU MD1 . . 4.110 3.675 3.478 3.873 . 0 0 "[ . 1 . 2]" 1
2254 1 114 LEU H 1 114 LEU QD . . 3.520 2.598 1.682 3.167 . 0 0 "[ . 1 . 2]" 1
2255 1 114 LEU H 1 114 LEU MD2 . . 4.110 2.802 1.684 3.584 . 0 0 "[ . 1 . 2]" 1
2256 1 114 LEU H 1 114 LEU HG . . 3.980 2.962 2.304 4.043 0.063 9 0 "[ . 1 . 2]" 1
2257 1 114 LEU H 1 115 SER H . . 3.440 2.921 2.827 3.097 . 0 0 "[ . 1 . 2]" 1
2258 1 114 LEU H 1 116 GLN H . . 4.610 3.844 3.613 4.120 . 0 0 "[ . 1 . 2]" 1
2259 1 114 LEU HA 1 114 LEU MD1 . . 4.190 3.098 1.910 3.881 . 0 0 "[ . 1 . 2]" 1
2260 1 114 LEU HA 1 114 LEU QD . . 2.970 1.948 1.875 2.069 . 0 0 "[ . 1 . 2]" 1
2261 1 114 LEU HA 1 114 LEU MD2 . . 4.190 2.248 1.941 2.726 . 0 0 "[ . 1 . 2]" 1
2262 1 114 LEU HA 1 114 LEU HG . . 3.890 3.260 2.888 3.715 . 0 0 "[ . 1 . 2]" 1
2263 1 114 LEU HA 1 116 GLN H . . 4.910 4.023 3.773 4.395 . 0 0 "[ . 1 . 2]" 1
2264 1 114 LEU HA 1 117 PHE H . . 4.040 3.129 2.977 3.521 . 0 0 "[ . 1 . 2]" 1
2265 1 114 LEU HA 1 117 PHE QB . . 3.540 2.307 2.107 2.756 . 0 0 "[ . 1 . 2]" 1
2266 1 114 LEU HA 1 117 PHE QD . . 4.780 3.463 3.099 3.803 . 0 0 "[ . 1 . 2]" 1
2267 1 114 LEU HA 1 118 TRP H . . 4.430 3.821 3.596 3.999 . 0 0 "[ . 1 . 2]" 1
2268 1 114 LEU HA 1 118 TRP HD1 . . 4.560 3.296 2.992 3.900 . 0 0 "[ . 1 . 2]" 1
2269 1 114 LEU HB2 1 115 SER H . . 3.620 2.329 2.254 2.505 . 0 0 "[ . 1 . 2]" 1
2270 1 114 LEU HB2 1 118 TRP HD1 . . 4.840 3.624 3.433 4.116 . 0 0 "[ . 1 . 2]" 1
2271 1 114 LEU HB3 1 114 LEU MD1 . . 3.390 2.425 2.340 2.534 . 0 0 "[ . 1 . 2]" 1
2272 1 114 LEU HB3 1 114 LEU MD2 . . 3.390 2.711 2.334 3.210 . 0 0 "[ . 1 . 2]" 1
2273 1 114 LEU HB3 1 115 SER H . . 3.810 3.042 2.665 3.259 . 0 0 "[ . 1 . 2]" 1
2274 1 114 LEU HB3 1 118 TRP HD1 . . 4.360 2.103 1.965 2.531 . 0 0 "[ . 1 . 2]" 1
2275 1 114 LEU QD 1 115 SER H . . 4.020 3.833 3.693 3.946 . 0 0 "[ . 1 . 2]" 1
2276 1 114 LEU QD 1 117 PHE H . . 5.440 4.367 4.152 4.483 . 0 0 "[ . 1 . 2]" 1
2277 1 114 LEU QD 1 117 PHE QB . . 4.120 3.066 2.903 3.216 . 0 0 "[ . 1 . 2]" 1
2278 1 114 LEU QD 1 117 PHE QD . . 4.550 2.904 2.645 3.300 . 0 0 "[ . 1 . 2]" 1
2279 1 114 LEU QD 1 117 PHE QE . . 4.820 4.279 4.057 4.555 . 0 0 "[ . 1 . 2]" 1
2280 1 114 LEU QD 1 118 TRP HD1 . . 4.190 3.074 2.428 3.393 . 0 0 "[ . 1 . 2]" 1
2281 1 114 LEU QD 1 118 TRP HE1 . . 4.300 2.310 1.812 2.675 . 0 0 "[ . 1 . 2]" 1
2282 1 114 LEU MD1 1 115 SER H . . 4.680 4.320 4.096 4.533 . 0 0 "[ . 1 . 2]" 1
2283 1 114 LEU MD1 1 118 TRP HD1 . . 5.500 3.602 2.438 4.126 . 0 0 "[ . 1 . 2]" 1
2284 1 114 LEU MD2 1 115 SER H . . 4.680 4.362 3.913 4.639 . 0 0 "[ . 1 . 2]" 1
2285 1 114 LEU MD2 1 118 TRP HD1 . . 5.500 3.847 2.959 5.156 . 0 0 "[ . 1 . 2]" 1
2286 1 114 LEU HG 1 115 SER H . . 4.840 4.518 4.356 4.705 . 0 0 "[ . 1 . 2]" 1
2287 1 115 SER H 1 115 SER HB2 . . 3.460 2.092 2.028 2.165 . 0 0 "[ . 1 . 2]" 1
2288 1 115 SER H 1 115 SER QB . . 2.960 2.064 2.007 2.110 . 0 0 "[ . 1 . 2]" 1
2289 1 115 SER H 1 115 SER HB3 . . 3.460 3.194 2.900 3.416 . 0 0 "[ . 1 . 2]" 1
2290 1 115 SER H 1 116 GLN H . . 3.250 2.911 2.746 3.067 . 0 0 "[ . 1 . 2]" 1
2291 1 115 SER H 1 116 GLN HB2 . . 5.010 5.266 5.180 5.629 0.619 3 1 "[ + . 1 . 2]" 1
2292 1 115 SER HA 1 117 PHE H . . 5.140 4.656 4.218 5.057 . 0 0 "[ . 1 . 2]" 1
2293 1 115 SER HA 1 118 TRP H . . 4.210 3.495 3.128 3.830 . 0 0 "[ . 1 . 2]" 1
2294 1 115 SER HA 1 118 TRP HB2 . . 4.330 2.572 2.202 2.931 . 0 0 "[ . 1 . 2]" 1
2295 1 115 SER HA 1 118 TRP HD1 . . 4.230 3.270 2.875 3.636 . 0 0 "[ . 1 . 2]" 1
2296 1 115 SER QB 1 116 GLN H . . 3.040 2.837 2.552 3.032 . 0 0 "[ . 1 . 2]" 1
2297 1 115 SER HB2 1 116 GLN H . . 3.870 3.464 3.126 3.777 . 0 0 "[ . 1 . 2]" 1
2298 1 115 SER HB3 1 116 GLN H . . 3.870 3.063 2.608 3.558 . 0 0 "[ . 1 . 2]" 1
2299 1 116 GLN H 1 116 GLN HB2 . . 3.080 2.552 2.387 2.996 . 0 0 "[ . 1 . 2]" 1
2300 1 116 GLN H 1 116 GLN HB3 . . 3.560 3.431 2.165 3.595 0.035 6 0 "[ . 1 . 2]" 1
2301 1 116 GLN H 1 116 GLN HG2 . . 4.710 2.605 2.019 4.142 . 0 0 "[ . 1 . 2]" 1
2302 1 116 GLN H 1 116 GLN QG . . 4.060 2.437 1.977 3.756 . 0 0 "[ . 1 . 2]" 1
2303 1 116 GLN H 1 116 GLN HG3 . . 4.710 2.973 2.458 4.300 . 0 0 "[ . 1 . 2]" 1
2304 1 116 GLN H 1 117 PHE H . . 3.260 2.553 2.340 2.963 . 0 0 "[ . 1 . 2]" 1
2305 1 116 GLN H 1 118 TRP H . . 4.390 3.751 3.623 3.950 . 0 0 "[ . 1 . 2]" 1
2306 1 116 GLN H 1 118 TRP HB2 . . 5.370 4.871 4.734 4.974 . 0 0 "[ . 1 . 2]" 1
2307 1 116 GLN H 1 119 LYS H . . 4.790 4.518 4.371 4.601 . 0 0 "[ . 1 . 2]" 1
2308 1 116 GLN HA 1 116 GLN HG2 . . 3.520 2.618 2.432 3.801 0.281 3 0 "[ . 1 . 2]" 1
2309 1 116 GLN HA 1 116 GLN HG3 . . 3.520 3.597 2.733 3.762 0.242 9 0 "[ . 1 . 2]" 1
2310 1 116 GLN HA 1 119 LYS H . . 3.700 3.326 3.207 3.419 . 0 0 "[ . 1 . 2]" 1
2311 1 116 GLN HA 1 119 LYS HB2 . . 4.950 4.092 3.703 4.437 . 0 0 "[ . 1 . 2]" 1
2312 1 116 GLN HA 1 119 LYS HB3 . . 4.060 2.973 2.239 3.869 . 0 0 "[ . 1 . 2]" 1
2313 1 116 GLN HA 1 119 LYS QD . . 4.400 2.763 2.492 3.019 . 0 0 "[ . 1 . 2]" 1
2314 1 116 GLN HA 1 119 LYS QE . . 4.150 3.831 3.659 3.986 . 0 0 "[ . 1 . 2]" 1
2315 1 116 GLN HA 1 119 LYS QG . . 3.920 2.903 1.717 3.916 . 0 0 "[ . 1 . 2]" 1
2316 1 116 GLN HA 1 120 GLU H . . 4.670 4.409 4.075 4.822 0.152 17 0 "[ . 1 . 2]" 1
2317 1 116 GLN HB2 1 116 GLN QE . . 4.360 3.869 2.820 4.354 . 0 0 "[ . 1 . 2]" 1
2318 1 116 GLN HB2 1 117 PHE H . . 3.690 2.752 2.191 4.218 0.528 20 1 "[ . 1 . +]" 1
2319 1 116 GLN HB3 1 117 PHE H . . 3.470 3.620 2.640 4.054 0.584 6 8 "[ **+** 1 - ** 2]" 1
2320 1 116 GLN HB3 1 117 PHE QB . . 4.690 4.788 4.158 4.974 0.284 6 0 "[ . 1 . 2]" 1
2321 1 116 GLN HB3 1 118 TRP H . . 5.450 5.405 4.879 5.639 0.189 6 0 "[ . 1 . 2]" 1
2322 1 116 GLN QG 1 117 PHE H . . 4.500 3.865 2.828 4.032 . 0 0 "[ . 1 . 2]" 1
2323 1 116 GLN HG2 1 117 PHE H . . 5.210 4.336 2.979 4.533 . 0 0 "[ . 1 . 2]" 1
2324 1 116 GLN HG3 1 117 PHE H . . 5.210 4.351 3.520 4.540 . 0 0 "[ . 1 . 2]" 1
2325 1 117 PHE H 1 117 PHE QB . . 3.000 2.085 2.051 2.098 . 0 0 "[ . 1 . 2]" 1
2326 1 117 PHE H 1 117 PHE QD . . 4.260 4.057 4.021 4.074 . 0 0 "[ . 1 . 2]" 1
2327 1 117 PHE H 1 118 TRP H . . 3.430 2.563 2.300 2.820 . 0 0 "[ . 1 . 2]" 1
2328 1 117 PHE H 1 119 LYS H . . 4.250 3.790 3.628 3.905 . 0 0 "[ . 1 . 2]" 1
2329 1 117 PHE HA 1 117 PHE QD . . 3.680 2.556 2.291 2.830 . 0 0 "[ . 1 . 2]" 1
2330 1 117 PHE HA 1 120 GLU H . . 3.800 3.141 2.989 3.308 . 0 0 "[ . 1 . 2]" 1
2331 1 117 PHE HA 1 120 GLU QB . . 4.330 2.598 2.355 2.984 . 0 0 "[ . 1 . 2]" 1
2332 1 117 PHE QB 1 118 TRP H . . 4.260 2.790 2.485 3.009 . 0 0 "[ . 1 . 2]" 1
2333 1 117 PHE QB 1 118 TRP HE1 . . 5.500 5.009 4.740 5.185 . 0 0 "[ . 1 . 2]" 1
2334 1 117 PHE QD 1 118 TRP H . . 3.850 3.931 3.436 4.180 0.330 12 0 "[ . 1 . 2]" 1
2335 1 117 PHE QD 1 118 TRP HA . . 4.450 4.014 3.594 4.365 . 0 0 "[ . 1 . 2]" 1
2336 1 117 PHE QD 1 118 TRP HD1 . . 4.580 4.186 3.659 4.490 . 0 0 "[ . 1 . 2]" 1
2337 1 117 PHE QE 1 121 VAL QG . . 3.850 2.864 2.514 3.278 . 0 0 "[ . 1 . 2]" 1
2338 1 117 PHE HZ 1 121 VAL QG . . 3.870 2.951 2.351 3.439 . 0 0 "[ . 1 . 2]" 1
2339 1 118 TRP H 1 118 TRP HB2 . . 3.080 2.256 2.209 2.320 . 0 0 "[ . 1 . 2]" 1
2340 1 118 TRP H 1 118 TRP HB3 . . 3.720 3.512 3.486 3.543 . 0 0 "[ . 1 . 2]" 1
2341 1 118 TRP H 1 118 TRP HD1 . . 3.610 3.372 3.109 3.547 . 0 0 "[ . 1 . 2]" 1
2342 1 118 TRP H 1 119 LYS H . . 3.360 2.310 2.120 2.520 . 0 0 "[ . 1 . 2]" 1
2343 1 118 TRP H 1 119 LYS HB3 . . 4.800 4.319 4.036 4.593 . 0 0 "[ . 1 . 2]" 1
2344 1 118 TRP HA 1 118 TRP HE3 . . 3.320 2.405 1.971 2.613 . 0 0 "[ . 1 . 2]" 1
2345 1 118 TRP HA 1 118 TRP HZ3 . . 4.950 4.558 4.237 4.707 . 0 0 "[ . 1 . 2]" 1
2346 1 118 TRP HA 1 120 GLU H . . 4.730 4.005 3.784 4.168 . 0 0 "[ . 1 . 2]" 1
2347 1 118 TRP HA 1 121 VAL H . . 4.150 3.442 3.291 3.557 . 0 0 "[ . 1 . 2]" 1
2348 1 118 TRP HA 1 121 VAL HB . . 4.490 3.930 3.025 4.195 . 0 0 "[ . 1 . 2]" 1
2349 1 118 TRP HA 1 121 VAL QG . . 3.010 1.869 1.753 2.618 . 0 0 "[ . 1 . 2]" 1
2350 1 118 TRP HB2 1 119 LYS H . . 3.810 3.276 3.060 3.482 . 0 0 "[ . 1 . 2]" 1
2351 1 118 TRP HB3 1 118 TRP HE3 . . 4.170 2.835 2.770 3.032 . 0 0 "[ . 1 . 2]" 1
2352 1 118 TRP HB3 1 119 LYS H . . 3.970 3.986 3.789 4.186 0.216 1 0 "[ . 1 . 2]" 1
2353 1 118 TRP HB3 1 126 VAL QG . . 5.440 4.944 3.894 5.417 . 0 0 "[ . 1 . 2]" 1
2354 1 118 TRP HE3 1 121 VAL QG . . 3.370 2.539 2.227 3.087 . 0 0 "[ . 1 . 2]" 1
2355 1 118 TRP HE3 1 126 VAL MG1 . . 4.360 3.547 2.276 3.868 . 0 0 "[ . 1 . 2]" 1
2356 1 118 TRP HE3 1 126 VAL MG2 . . 4.360 3.151 1.973 3.850 . 0 0 "[ . 1 . 2]" 1
2357 1 118 TRP HH2 1 126 VAL MG1 . . 4.570 3.763 2.972 4.256 . 0 0 "[ . 1 . 2]" 1
2358 1 118 TRP HH2 1 126 VAL QG . . 3.660 2.471 1.891 3.334 . 0 0 "[ . 1 . 2]" 1
2359 1 118 TRP HH2 1 126 VAL MG2 . . 4.570 2.899 1.894 4.373 . 0 0 "[ . 1 . 2]" 1
2360 1 118 TRP HZ3 1 121 VAL QG . . 3.920 3.144 2.795 3.324 . 0 0 "[ . 1 . 2]" 1
2361 1 118 TRP HZ3 1 126 VAL MG1 . . 3.540 2.323 1.824 2.744 . 0 0 "[ . 1 . 2]" 1
2362 1 118 TRP HZ3 1 126 VAL MG2 . . 3.540 1.903 1.763 2.246 . 0 0 "[ . 1 . 2]" 1
2363 1 119 LYS H 1 119 LYS HB2 . . 3.760 3.420 3.221 3.622 . 0 0 "[ . 1 . 2]" 1
2364 1 119 LYS H 1 119 LYS HB3 . . 2.920 2.401 2.137 2.718 . 0 0 "[ . 1 . 2]" 1
2365 1 119 LYS H 1 119 LYS HD2 . . 4.590 3.619 3.176 4.189 . 0 0 "[ . 1 . 2]" 1
2366 1 119 LYS H 1 119 LYS QD . . 3.730 3.294 3.033 3.566 . 0 0 "[ . 1 . 2]" 1
2367 1 119 LYS H 1 119 LYS HD3 . . 4.590 3.866 3.788 3.964 . 0 0 "[ . 1 . 2]" 1
2368 1 119 LYS H 1 119 LYS QG . . 4.080 3.002 1.846 3.946 . 0 0 "[ . 1 . 2]" 1
2369 1 119 LYS H 1 120 GLU H . . 2.980 2.217 2.080 2.351 . 0 0 "[ . 1 . 2]" 1
2370 1 119 LYS H 1 120 GLU HA . . 5.080 4.822 4.723 4.926 . 0 0 "[ . 1 . 2]" 1
2371 1 119 LYS H 1 120 GLU QB . . 4.370 4.078 3.928 4.243 . 0 0 "[ . 1 . 2]" 1
2372 1 119 LYS H 1 120 GLU QG . . 4.710 4.362 4.307 4.501 . 0 0 "[ . 1 . 2]" 1
2373 1 119 LYS H 1 121 VAL H . . 4.140 3.833 3.642 4.028 . 0 0 "[ . 1 . 2]" 1
2374 1 119 LYS HA 1 119 LYS HD2 . . 4.290 4.574 4.227 5.080 0.790 12 9 "[ **-** 1 + ** *]" 1
2375 1 119 LYS HA 1 119 LYS HD3 . . 4.290 3.882 3.650 4.032 . 0 0 "[ . 1 . 2]" 1
2376 1 119 LYS HA 1 119 LYS QE . . 5.500 4.912 4.255 5.341 . 0 0 "[ . 1 . 2]" 1
2377 1 119 LYS HA 1 119 LYS QG . . 3.800 3.108 2.818 3.438 . 0 0 "[ . 1 . 2]" 1
2378 1 119 LYS HA 1 121 VAL H . . 5.090 4.747 4.530 4.937 . 0 0 "[ . 1 . 2]" 1
2379 1 119 LYS HB2 1 119 LYS HD2 . . 3.910 3.566 3.505 3.646 . 0 0 "[ . 1 . 2]" 1
2380 1 119 LYS HB2 1 119 LYS QD . . 3.380 2.905 2.330 3.304 . 0 0 "[ . 1 . 2]" 1
2381 1 119 LYS HB2 1 119 LYS HD3 . . 3.910 3.304 2.359 4.003 0.093 10 0 "[ . 1 . 2]" 1
2382 1 119 LYS HB2 1 119 LYS QE . . 4.590 3.400 2.115 4.269 . 0 0 "[ . 1 . 2]" 1
2383 1 119 LYS HB2 1 120 GLU H . . 4.490 4.341 4.134 4.521 0.031 17 0 "[ . 1 . 2]" 1
2384 1 119 LYS HB3 1 119 LYS HD2 . . 4.160 3.123 2.185 4.269 0.109 15 0 "[ . 1 . 2]" 1
2385 1 119 LYS HB3 1 119 LYS HD3 . . 4.160 3.404 3.180 3.720 . 0 0 "[ . 1 . 2]" 1
2386 1 119 LYS HB3 1 119 LYS QE . . 4.930 3.519 3.141 3.699 . 0 0 "[ . 1 . 2]" 1
2387 1 119 LYS HB3 1 120 GLU H . . 4.020 3.790 3.330 4.288 0.268 12 0 "[ . 1 . 2]" 1
2388 1 119 LYS QD 1 120 GLU H . . 4.430 2.797 2.597 3.075 . 0 0 "[ . 1 . 2]" 1
2389 1 119 LYS QD 1 120 GLU HA . . 4.590 2.643 2.449 2.856 . 0 0 "[ . 1 . 2]" 1
2390 1 119 LYS HD2 1 120 GLU H . . 5.100 3.311 3.080 3.881 . 0 0 "[ . 1 . 2]" 1
2391 1 119 LYS HD3 1 120 GLU H . . 5.100 3.029 2.791 3.252 . 0 0 "[ . 1 . 2]" 1
2392 1 119 LYS QE 1 119 LYS QG . . 3.160 2.222 2.124 2.365 . 0 0 "[ . 1 . 2]" 1
2393 1 119 LYS QE 1 120 GLU HA . . 4.550 4.453 4.386 4.498 . 0 0 "[ . 1 . 2]" 1
2394 1 119 LYS QE 1 120 GLU QB . . 3.910 4.675 3.603 5.204 1.294 7 13 "[ * ***+* 1 * -*** **]" 1
2395 1 119 LYS QG 1 120 GLU H . . 4.840 3.295 2.378 4.067 . 0 0 "[ . 1 . 2]" 1
2396 1 120 GLU H 1 120 GLU HB2 . . 3.860 2.533 2.245 3.594 . 0 0 "[ . 1 . 2]" 1
2397 1 120 GLU H 1 120 GLU QB . . 3.070 2.258 2.220 2.341 . 0 0 "[ . 1 . 2]" 1
2398 1 120 GLU H 1 120 GLU HB3 . . 3.860 3.285 2.285 3.548 . 0 0 "[ . 1 . 2]" 1
2399 1 120 GLU H 1 120 GLU HG2 . . 3.890 3.402 2.814 3.749 . 0 0 "[ . 1 . 2]" 1
2400 1 120 GLU H 1 120 GLU QG . . 3.250 2.971 2.754 3.157 . 0 0 "[ . 1 . 2]" 1
2401 1 120 GLU H 1 120 GLU HG3 . . 3.890 3.405 3.144 3.951 0.061 1 0 "[ . 1 . 2]" 1
2402 1 120 GLU H 1 121 VAL H . . 2.920 2.233 2.151 2.326 . 0 0 "[ . 1 . 2]" 1
2403 1 120 GLU H 1 121 VAL HA . . 5.310 4.864 4.783 4.944 . 0 0 "[ . 1 . 2]" 1
2404 1 120 GLU H 1 121 VAL HB . . 4.880 4.459 4.362 4.621 . 0 0 "[ . 1 . 2]" 1
2405 1 120 GLU H 1 121 VAL QG . . 4.030 3.503 3.272 3.613 . 0 0 "[ . 1 . 2]" 1
2406 1 120 GLU HA 1 120 GLU HG2 . . 3.860 2.446 2.081 3.767 . 0 0 "[ . 1 . 2]" 1
2407 1 120 GLU HA 1 120 GLU QG . . 3.270 2.313 2.059 3.198 . 0 0 "[ . 1 . 2]" 1
2408 1 120 GLU HA 1 120 GLU HG3 . . 3.860 3.345 3.240 3.460 . 0 0 "[ . 1 . 2]" 1
2409 1 120 GLU QB 1 121 VAL H . . 3.550 2.804 2.597 3.317 . 0 0 "[ . 1 . 2]" 1
2410 1 120 GLU QB 1 121 VAL HA . . 4.870 4.039 3.856 4.682 . 0 0 "[ . 1 . 2]" 1
2411 1 120 GLU QB 1 121 VAL QG . . 4.470 4.032 2.817 4.521 0.051 1 0 "[ . 1 . 2]" 1
2412 1 120 GLU HB2 1 121 VAL H . . 4.270 3.055 2.699 4.151 . 0 0 "[ . 1 . 2]" 1
2413 1 120 GLU HB3 1 121 VAL H . . 4.270 3.476 3.353 3.604 . 0 0 "[ . 1 . 2]" 1
2414 1 120 GLU QG 1 121 VAL H . . 4.380 3.841 1.924 4.355 . 0 0 "[ . 1 . 2]" 1
2415 1 120 GLU HG2 1 121 VAL H . . 5.030 4.310 1.949 4.925 . 0 0 "[ . 1 . 2]" 1
2416 1 120 GLU HG3 1 121 VAL H . . 5.030 4.430 2.955 4.866 . 0 0 "[ . 1 . 2]" 1
2417 1 121 VAL H 1 121 VAL HB . . 2.990 2.386 2.318 2.693 . 0 0 "[ . 1 . 2]" 1
2418 1 121 VAL H 1 121 VAL QG . . 2.850 2.141 1.840 2.249 . 0 0 "[ . 1 . 2]" 1
2419 1 121 VAL H 1 122 PRO HD2 . . 4.860 5.016 5.003 5.035 0.175 17 0 "[ . 1 . 2]" 1
2420 1 121 VAL H 1 122 PRO HD3 . . 4.860 4.446 4.388 4.540 . 0 0 "[ . 1 . 2]" 1
2421 1 121 VAL HA 1 121 VAL QG . . 3.080 2.168 2.103 2.298 . 0 0 "[ . 1 . 2]" 1
2422 1 121 VAL HA 1 122 PRO HD2 . . 3.270 2.304 2.268 2.371 . 0 0 "[ . 1 . 2]" 1
2423 1 121 VAL HA 1 122 PRO HD3 . . 3.120 1.945 1.920 1.967 . 0 0 "[ . 1 . 2]" 1
2424 1 121 VAL HA 1 122 PRO HG3 . . 4.400 4.196 4.183 4.209 . 0 0 "[ . 1 . 2]" 1
2425 1 121 VAL HB 1 122 PRO HD2 . . 4.720 4.245 4.085 4.317 . 0 0 "[ . 1 . 2]" 1
2426 1 121 VAL HB 1 122 PRO HD3 . . 4.840 4.447 4.350 4.595 . 0 0 "[ . 1 . 2]" 1
2427 1 121 VAL QG 1 122 PRO HB2 . . 5.130 4.755 4.665 4.819 . 0 0 "[ . 1 . 2]" 1
2428 1 121 VAL QG 1 122 PRO HD2 . . 3.220 2.098 1.947 2.272 . 0 0 "[ . 1 . 2]" 1
2429 1 121 VAL QG 1 122 PRO HD3 . . 3.630 3.117 3.002 3.202 . 0 0 "[ . 1 . 2]" 1
2430 1 121 VAL QG 1 122 PRO HG2 . . 4.070 3.941 3.774 4.017 . 0 0 "[ . 1 . 2]" 1
2431 1 121 VAL QG 1 122 PRO HG3 . . 5.060 4.500 4.361 4.572 . 0 0 "[ . 1 . 2]" 1
2432 1 121 VAL QG 1 123 ARG HA . . 4.720 4.259 4.041 4.894 0.174 17 0 "[ . 1 . 2]" 1
2433 1 121 VAL QG 1 125 LYS H . . 4.420 3.604 3.324 3.775 . 0 0 "[ . 1 . 2]" 1
2434 1 121 VAL QG 1 125 LYS HB2 . . 3.840 2.013 1.837 2.326 . 0 0 "[ . 1 . 2]" 1
2435 1 121 VAL QG 1 125 LYS QB . . 3.290 1.975 1.820 2.245 . 0 0 "[ . 1 . 2]" 1
2436 1 121 VAL QG 1 125 LYS HB3 . . 3.840 2.893 2.690 2.982 . 0 0 "[ . 1 . 2]" 1
2437 1 121 VAL QG 1 125 LYS HD2 . . 5.080 4.445 4.246 4.551 . 0 0 "[ . 1 . 2]" 1
2438 1 121 VAL QG 1 125 LYS QD . . 4.260 4.213 4.029 4.315 0.055 12 0 "[ . 1 . 2]" 1
2439 1 121 VAL QG 1 125 LYS HD3 . . 5.080 5.224 5.012 5.374 0.294 9 0 "[ . 1 . 2]" 1
2440 1 121 VAL QG 1 125 LYS QG . . 4.130 3.315 3.101 3.509 . 0 0 "[ . 1 . 2]" 1
2441 1 121 VAL QG 1 126 VAL H . . 4.540 3.282 2.909 3.926 . 0 0 "[ . 1 . 2]" 1
2442 1 121 VAL QG 1 126 VAL HA . . 4.540 3.286 2.824 3.572 . 0 0 "[ . 1 . 2]" 1
2443 1 121 VAL QG 1 126 VAL MG1 . . 4.360 3.063 2.718 3.676 . 0 0 "[ . 1 . 2]" 1
2444 1 121 VAL QG 1 126 VAL QG . . 3.220 2.227 1.661 2.614 . 0 0 "[ . 1 . 2]" 1
2445 1 121 VAL QG 1 126 VAL MG2 . . 4.360 2.512 1.664 3.246 . 0 0 "[ . 1 . 2]" 1
2446 1 122 PRO HA 1 123 ARG H . . 2.890 2.416 2.230 2.653 . 0 0 "[ . 1 . 2]" 1
2447 1 122 PRO HA 1 123 ARG QB . . 4.620 4.562 4.521 4.639 0.019 16 0 "[ . 1 . 2]" 1
2448 1 122 PRO HA 1 123 ARG QG . . 4.970 4.093 3.643 4.329 . 0 0 "[ . 1 . 2]" 1
2449 1 122 PRO HB2 1 124 ASN H . . 4.250 2.153 2.058 2.428 . 0 0 "[ . 1 . 2]" 1
2450 1 122 PRO HB2 1 124 ASN QB . . 4.700 2.899 2.582 3.963 . 0 0 "[ . 1 . 2]" 1
2451 1 122 PRO HB2 1 125 LYS H . . 3.690 3.304 3.079 3.393 . 0 0 "[ . 1 . 2]" 1
2452 1 122 PRO HB2 1 125 LYS HG2 . . 4.940 3.622 3.441 3.761 . 0 0 "[ . 1 . 2]" 1
2453 1 122 PRO HB2 1 125 LYS QG . . 4.320 3.413 3.277 3.513 . 0 0 "[ . 1 . 2]" 1
2454 1 122 PRO HB2 1 125 LYS HG3 . . 4.940 4.175 4.116 4.215 . 0 0 "[ . 1 . 2]" 1
2455 1 122 PRO HB3 1 123 ARG H . . 4.100 3.441 3.182 3.732 . 0 0 "[ . 1 . 2]" 1
2456 1 122 PRO HB3 1 123 ARG QD . . 4.420 4.118 3.864 4.398 . 0 0 "[ . 1 . 2]" 1
2457 1 122 PRO HB3 1 125 LYS H . . 4.670 4.770 4.579 4.891 0.221 18 0 "[ . 1 . 2]" 1
2458 1 122 PRO HB3 1 125 LYS HG2 . . 5.120 4.778 4.702 4.827 . 0 0 "[ . 1 . 2]" 1
2459 1 122 PRO HB3 1 125 LYS HG3 . . 5.120 4.745 4.689 4.800 . 0 0 "[ . 1 . 2]" 1
2460 1 122 PRO HD2 1 125 LYS QD . . 4.380 4.119 4.032 4.226 . 0 0 "[ . 1 . 2]" 1
2461 1 122 PRO HD2 1 125 LYS HG2 . . 4.890 3.197 3.065 3.447 . 0 0 "[ . 1 . 2]" 1
2462 1 122 PRO HD2 1 125 LYS QG . . 4.150 2.111 1.973 2.379 . 0 0 "[ . 1 . 2]" 1
2463 1 122 PRO HD2 1 125 LYS HG3 . . 4.890 2.142 1.995 2.424 . 0 0 "[ . 1 . 2]" 1
2464 1 122 PRO HG2 1 125 LYS H . . 4.510 3.068 2.846 3.224 . 0 0 "[ . 1 . 2]" 1
2465 1 122 PRO HG2 1 125 LYS HA . . 4.820 4.547 4.306 4.744 . 0 0 "[ . 1 . 2]" 1
2466 1 122 PRO HG2 1 125 LYS QD . . 4.400 3.799 3.759 3.837 . 0 0 "[ . 1 . 2]" 1
2467 1 122 PRO HG2 1 125 LYS QE . . 4.180 3.248 3.099 3.491 . 0 0 "[ . 1 . 2]" 1
2468 1 122 PRO HG2 1 125 LYS HG2 . . 4.470 1.973 1.949 2.007 . 0 0 "[ . 1 . 2]" 1
2469 1 122 PRO HG2 1 125 LYS QG . . 3.850 1.732 1.723 1.745 . 0 0 "[ . 1 . 2]" 1
2470 1 122 PRO HG2 1 125 LYS HG3 . . 4.470 1.918 1.897 1.937 . 0 0 "[ . 1 . 2]" 1
2471 1 123 ARG H 1 123 ARG QB . . 2.980 2.735 2.613 2.861 . 0 0 "[ . 1 . 2]" 1
2472 1 123 ARG H 1 123 ARG QD . . 4.680 2.017 1.865 2.929 . 0 0 "[ . 1 . 2]" 1
2473 1 123 ARG H 1 123 ARG QG . . 3.500 1.984 1.716 2.217 . 0 0 "[ . 1 . 2]" 1
2474 1 123 ARG H 1 124 ASN H . . 4.380 2.619 2.388 2.807 . 0 0 "[ . 1 . 2]" 1
2475 1 123 ARG H 1 125 LYS H . . 4.730 4.138 3.987 4.318 . 0 0 "[ . 1 . 2]" 1
2476 1 123 ARG HA 1 123 ARG QD . . 3.880 3.528 3.358 3.653 . 0 0 "[ . 1 . 2]" 1
2477 1 123 ARG HA 1 123 ARG QG . . 3.550 3.426 3.367 3.511 . 0 0 "[ . 1 . 2]" 1
2478 1 123 ARG HA 1 125 LYS H . . 4.660 3.726 3.540 4.036 . 0 0 "[ . 1 . 2]" 1
2479 1 123 ARG HA 1 126 VAL H . . 3.940 3.093 2.856 3.226 . 0 0 "[ . 1 . 2]" 1
2480 1 123 ARG HA 1 126 VAL HB . . 3.950 3.330 1.964 4.283 0.333 9 0 "[ . 1 . 2]" 1
2481 1 123 ARG HA 1 126 VAL QG . . 3.240 2.015 1.800 2.900 . 0 0 "[ . 1 . 2]" 1
2482 1 123 ARG QB 1 123 ARG QG . . 2.430 2.049 2.003 2.064 . 0 0 "[ . 1 . 2]" 1
2483 1 123 ARG QB 1 124 ASN H . . 4.520 3.802 3.440 3.918 . 0 0 "[ . 1 . 2]" 1
2484 1 123 ARG QB 1 126 VAL QG . . 4.640 3.326 3.112 4.046 . 0 0 "[ . 1 . 2]" 1
2485 1 123 ARG QD 1 126 VAL QG . . 5.110 4.350 4.105 4.557 . 0 0 "[ . 1 . 2]" 1
2486 1 123 ARG QG 1 124 ASN HA . . 4.870 4.193 3.727 4.960 0.090 9 0 "[ . 1 . 2]" 1
2487 1 124 ASN H 1 125 LYS H . . 4.220 2.221 2.036 2.594 . 0 0 "[ . 1 . 2]" 1
2488 1 124 ASN HA 1 126 VAL H . . 4.570 4.212 3.682 4.528 . 0 0 "[ . 1 . 2]" 1
2489 1 124 ASN HB2 1 125 LYS H . . 4.730 3.750 3.260 4.218 . 0 0 "[ . 1 . 2]" 1
2490 1 124 ASN HB3 1 125 LYS H . . 4.730 3.468 2.797 4.541 . 0 0 "[ . 1 . 2]" 1
2491 1 125 LYS H 1 125 LYS HB2 . . 3.690 2.554 2.452 2.647 . 0 0 "[ . 1 . 2]" 1
2492 1 125 LYS H 1 125 LYS QB . . 3.110 2.508 2.416 2.591 . 0 0 "[ . 1 . 2]" 1
2493 1 125 LYS H 1 125 LYS HB3 . . 3.690 3.669 3.617 3.692 0.002 8 0 "[ . 1 . 2]" 1
2494 1 125 LYS H 1 125 LYS HD2 . . 5.090 4.822 4.659 4.967 . 0 0 "[ . 1 . 2]" 1
2495 1 125 LYS H 1 125 LYS QD . . 4.390 4.052 3.859 4.237 . 0 0 "[ . 1 . 2]" 1
2496 1 125 LYS H 1 125 LYS HD3 . . 5.090 4.357 4.099 4.596 . 0 0 "[ . 1 . 2]" 1
2497 1 125 LYS H 1 125 LYS HG2 . . 3.990 2.548 2.225 2.980 . 0 0 "[ . 1 . 2]" 1
2498 1 125 LYS H 1 125 LYS QG . . 3.460 2.497 2.195 2.898 . 0 0 "[ . 1 . 2]" 1
2499 1 125 LYS H 1 125 LYS HG3 . . 3.990 3.602 3.360 3.957 . 0 0 "[ . 1 . 2]" 1
2500 1 125 LYS H 1 126 VAL H . . 2.900 2.042 1.917 2.347 . 0 0 "[ . 1 . 2]" 1
2501 1 125 LYS H 1 126 VAL QG . . 4.020 3.345 3.091 3.663 . 0 0 "[ . 1 . 2]" 1
2502 1 125 LYS HA 1 125 LYS HD2 . . 3.670 3.023 2.865 3.170 . 0 0 "[ . 1 . 2]" 1
2503 1 125 LYS HA 1 125 LYS HD3 . . 3.670 2.640 2.423 2.823 . 0 0 "[ . 1 . 2]" 1
2504 1 125 LYS HA 1 125 LYS HG2 . . 3.860 2.802 2.690 2.931 . 0 0 "[ . 1 . 2]" 1
2505 1 125 LYS HA 1 125 LYS QG . . 3.210 2.731 2.627 2.844 . 0 0 "[ . 1 . 2]" 1
2506 1 125 LYS HA 1 125 LYS HG3 . . 3.860 3.783 3.685 3.845 . 0 0 "[ . 1 . 2]" 1
2507 1 125 LYS QB 1 125 LYS QD . . 3.170 2.088 2.061 2.134 . 0 0 "[ . 1 . 2]" 1
2508 1 125 LYS QB 1 125 LYS QE . . 4.090 3.420 3.342 3.469 . 0 0 "[ . 1 . 2]" 1
2509 1 125 LYS QB 1 126 VAL H . . 3.680 3.116 2.934 3.665 . 0 0 "[ . 1 . 2]" 1
2510 1 125 LYS HB2 1 125 LYS HD2 . . 4.210 3.467 3.435 3.513 . 0 0 "[ . 1 . 2]" 1
2511 1 125 LYS HB2 1 125 LYS HD3 . . 4.210 3.998 3.966 4.042 . 0 0 "[ . 1 . 2]" 1
2512 1 125 LYS HB2 1 126 VAL H . . 4.220 3.219 3.002 3.864 . 0 0 "[ . 1 . 2]" 1
2513 1 125 LYS HB3 1 125 LYS HD2 . . 4.210 2.146 2.115 2.195 . 0 0 "[ . 1 . 2]" 1
2514 1 125 LYS HB3 1 125 LYS HD3 . . 4.210 3.157 3.088 3.232 . 0 0 "[ . 1 . 2]" 1
2515 1 125 LYS HB3 1 126 VAL H . . 4.220 4.175 3.953 4.557 0.337 16 0 "[ . 1 . 2]" 1
2516 1 125 LYS QE 1 125 LYS QG . . 3.160 2.140 2.108 2.151 . 0 0 "[ . 1 . 2]" 1
2517 1 125 LYS QG 1 126 VAL H . . 4.610 4.117 3.892 4.302 . 0 0 "[ . 1 . 2]" 1
2518 1 126 VAL H 1 126 VAL HB . . 2.990 2.572 2.214 2.834 . 0 0 "[ . 1 . 2]" 1
2519 1 126 VAL H 1 126 VAL MG1 . . 3.990 2.655 1.866 3.790 . 0 0 "[ . 1 . 2]" 1
2520 1 126 VAL H 1 126 VAL QG . . 2.980 2.173 1.861 2.702 . 0 0 "[ . 1 . 2]" 1
2521 1 126 VAL H 1 126 VAL MG2 . . 3.990 3.268 2.055 3.772 . 0 0 "[ . 1 . 2]" 1
2522 1 126 VAL H 1 127 MET H . . 4.800 4.501 4.315 4.596 . 0 0 "[ . 1 . 2]" 1
2523 1 126 VAL HA 1 126 VAL HB . . 2.700 2.663 2.387 3.025 0.325 17 0 "[ . 1 . 2]" 1
2524 1 126 VAL HA 1 126 VAL MG1 . . 3.280 2.897 2.309 3.207 . 0 0 "[ . 1 . 2]" 1
2525 1 126 VAL HA 1 126 VAL MG2 . . 3.280 2.294 2.167 2.462 . 0 0 "[ . 1 . 2]" 1
2526 1 126 VAL HA 1 127 MET H . . 3.060 2.229 2.183 2.289 . 0 0 "[ . 1 . 2]" 1
2527 1 126 VAL HA 1 127 MET HB2 . . 4.870 4.483 4.383 4.602 . 0 0 "[ . 1 . 2]" 1
2528 1 126 VAL HA 1 127 MET QB . . 4.270 4.037 4.011 4.082 . 0 0 "[ . 1 . 2]" 1
2529 1 126 VAL HA 1 127 MET HB3 . . 4.870 4.587 4.507 4.765 . 0 0 "[ . 1 . 2]" 1
2530 1 126 VAL HB 1 127 MET H . . 4.200 4.281 4.052 4.575 0.375 4 0 "[ . 1 . 2]" 1
2531 1 126 VAL QG 1 127 MET H . . 3.330 2.449 1.963 3.053 . 0 0 "[ . 1 . 2]" 1
2532 1 126 VAL QG 1 127 MET HA . . 4.550 3.846 3.699 4.172 . 0 0 "[ . 1 . 2]" 1
2533 1 126 VAL QG 1 128 GLU QB . . 5.280 4.279 3.738 4.572 . 0 0 "[ . 1 . 2]" 1
2534 1 126 VAL QG 1 128 GLU HG2 . . 4.180 3.351 2.151 3.802 . 0 0 "[ . 1 . 2]" 1
2535 1 126 VAL QG 1 128 GLU HG3 . . 3.780 2.756 1.948 3.237 . 0 0 "[ . 1 . 2]" 1
2536 1 126 VAL MG1 1 127 MET H . . 4.180 3.578 2.719 4.053 . 0 0 "[ . 1 . 2]" 1
2537 1 126 VAL MG2 1 127 MET H . . 4.180 2.926 1.968 4.262 0.082 17 0 "[ . 1 . 2]" 1
2538 1 127 MET H 1 127 MET HB2 . . 3.680 2.602 2.367 2.701 . 0 0 "[ . 1 . 2]" 1
2539 1 127 MET H 1 127 MET HB3 . . 3.680 2.384 2.296 2.588 . 0 0 "[ . 1 . 2]" 1
2540 1 127 MET H 1 127 MET ME . . 4.810 4.177 3.741 4.598 . 0 0 "[ . 1 . 2]" 1
2541 1 127 MET H 1 127 MET HG2 . . 4.760 4.344 4.273 4.427 . 0 0 "[ . 1 . 2]" 1
2542 1 127 MET H 1 127 MET HG3 . . 4.760 4.514 4.365 4.627 . 0 0 "[ . 1 . 2]" 1
2543 1 127 MET H 1 128 GLU H . . 5.480 4.517 4.275 4.637 . 0 0 "[ . 1 . 2]" 1
2544 1 127 MET HA 1 127 MET ME . . 5.080 4.356 4.104 4.470 . 0 0 "[ . 1 . 2]" 1
2545 1 127 MET HA 1 127 MET HG2 . . 4.000 2.914 2.433 3.197 . 0 0 "[ . 1 . 2]" 1
2546 1 127 MET HA 1 127 MET HG3 . . 4.000 2.838 2.620 3.645 . 0 0 "[ . 1 . 2]" 1
2547 1 127 MET HA 1 128 GLU H . . 2.910 2.292 2.203 2.426 . 0 0 "[ . 1 . 2]" 1
2548 1 127 MET QB 1 128 GLU H . . 4.160 3.754 3.455 4.044 . 0 0 "[ . 1 . 2]" 1
2549 1 127 MET HB2 1 128 GLU H . . 4.850 4.248 3.911 4.640 . 0 0 "[ . 1 . 2]" 1
2550 1 127 MET HB3 1 128 GLU H . . 4.850 4.184 3.846 4.471 . 0 0 "[ . 1 . 2]" 1
2551 1 127 MET ME 1 127 MET HG2 . . 3.560 2.408 2.088 3.366 . 0 0 "[ . 1 . 2]" 1
2552 1 127 MET ME 1 127 MET QG . . 2.930 2.227 2.066 2.395 . 0 0 "[ . 1 . 2]" 1
2553 1 127 MET ME 1 127 MET HG3 . . 3.560 3.189 2.359 3.373 . 0 0 "[ . 1 . 2]" 1
2554 1 127 MET ME 1 128 GLU H . . 5.080 4.473 4.087 4.720 . 0 0 "[ . 1 . 2]" 1
2555 1 127 MET ME 1 128 GLU HA . . 5.500 4.269 4.073 4.467 . 0 0 "[ . 1 . 2]" 1
2556 1 127 MET ME 1 129 HIS H . . 5.460 4.199 4.007 4.313 . 0 0 "[ . 1 . 2]" 1
2557 1 127 MET ME 1 129 HIS HB2 . . 3.730 3.065 2.563 3.448 . 0 0 "[ . 1 . 2]" 1
2558 1 127 MET QG 1 128 GLU H . . 3.690 2.616 1.989 3.343 . 0 0 "[ . 1 . 2]" 1
2559 1 127 MET HG2 1 128 GLU H . . 4.330 2.762 2.128 3.496 . 0 0 "[ . 1 . 2]" 1
2560 1 127 MET HG3 1 128 GLU H . . 4.330 3.375 2.278 4.256 . 0 0 "[ . 1 . 2]" 1
2561 1 128 GLU H 1 128 GLU HB2 . . 4.140 2.543 2.191 2.839 . 0 0 "[ . 1 . 2]" 1
2562 1 128 GLU H 1 128 GLU QB . . 3.390 2.499 2.169 2.771 . 0 0 "[ . 1 . 2]" 1
2563 1 128 GLU H 1 128 GLU HB3 . . 4.140 3.688 3.465 3.873 . 0 0 "[ . 1 . 2]" 1
2564 1 128 GLU H 1 128 GLU HG2 . . 4.320 4.131 3.373 4.389 0.069 17 0 "[ . 1 . 2]" 1
2565 1 128 GLU H 1 128 GLU HG3 . . 3.720 3.047 2.247 3.359 . 0 0 "[ . 1 . 2]" 1
2566 1 128 GLU HA 1 128 GLU HG2 . . 3.870 2.570 2.348 2.836 . 0 0 "[ . 1 . 2]" 1
2567 1 128 GLU HA 1 128 GLU HG3 . . 3.990 2.795 2.241 3.219 . 0 0 "[ . 1 . 2]" 1
2568 1 128 GLU HA 1 129 HIS H . . 3.020 2.220 2.202 2.259 . 0 0 "[ . 1 . 2]" 1
2569 1 128 GLU QB 1 129 HIS H . . 3.800 3.300 3.056 3.542 . 0 0 "[ . 1 . 2]" 1
2570 1 128 GLU HB2 1 129 HIS H . . 4.570 4.351 4.012 4.481 . 0 0 "[ . 1 . 2]" 1
2571 1 128 GLU HB3 1 129 HIS H . . 4.570 3.420 3.168 3.716 . 0 0 "[ . 1 . 2]" 1
2572 1 128 GLU HG2 1 129 HIS H . . 4.310 4.327 4.044 4.636 0.326 14 0 "[ . 1 . 2]" 1
2573 1 128 GLU HG3 1 129 HIS H . . 5.500 4.907 4.245 5.218 . 0 0 "[ . 1 . 2]" 1
2574 1 129 HIS H 1 129 HIS HB2 . . 4.110 3.044 2.821 3.184 . 0 0 "[ . 1 . 2]" 1
2575 1 129 HIS H 1 129 HIS HB3 . . 3.980 2.713 2.576 2.831 . 0 0 "[ . 1 . 2]" 1
2576 1 129 HIS H 1 130 ARG H . . 4.610 4.245 4.107 4.476 . 0 0 "[ . 1 . 2]" 1
2577 1 129 HIS H 1 130 ARG QG . . 4.790 5.126 4.643 5.548 0.758 15 8 "[ - **** *1* + 2]" 1
2578 1 129 HIS HA 1 130 ARG H . . 3.460 2.197 2.186 2.266 . 0 0 "[ . 1 . 2]" 1
2579 1 129 HIS HD2 1 131 LEU MD1 . . 4.210 3.332 2.512 4.128 . 0 0 "[ . 1 . 2]" 1
2580 1 129 HIS HD2 1 131 LEU QD . . 3.520 2.620 1.779 3.301 . 0 0 "[ . 1 . 2]" 1
2581 1 129 HIS HD2 1 131 LEU MD2 . . 4.210 3.593 1.781 4.641 0.431 5 0 "[ . 1 . 2]" 1
2582 1 129 HIS HD2 1 131 LEU HG . . 4.390 3.532 2.781 4.451 0.061 9 0 "[ . 1 . 2]" 1
2583 1 130 ARG H 1 130 ARG QB . . 3.680 2.177 2.083 2.327 . 0 0 "[ . 1 . 2]" 1
2584 1 130 ARG H 1 130 ARG QG . . 4.520 3.554 3.162 3.883 . 0 0 "[ . 1 . 2]" 1
2585 1 130 ARG HA 1 130 ARG QG . . 3.940 2.039 1.972 2.159 . 0 0 "[ . 1 . 2]" 1
2586 1 130 ARG HA 1 131 LEU H . . 3.100 2.261 2.226 2.320 . 0 0 "[ . 1 . 2]" 1
2587 1 130 ARG QB 1 130 ARG QD . . 3.120 2.054 1.939 2.314 . 0 0 "[ . 1 . 2]" 1
2588 1 130 ARG QB 1 131 LEU H . . 4.110 3.310 3.044 3.537 . 0 0 "[ . 1 . 2]" 1
2589 1 130 ARG HB2 1 131 LEU H . . 4.730 4.443 4.274 4.575 . 0 0 "[ . 1 . 2]" 1
2590 1 130 ARG HB3 1 131 LEU H . . 4.730 3.416 3.116 3.682 . 0 0 "[ . 1 . 2]" 1
2591 1 130 ARG QG 1 131 LEU H . . 4.800 3.576 3.120 3.947 . 0 0 "[ . 1 . 2]" 1
2592 1 131 LEU H 1 131 LEU HB2 . . 4.150 2.252 2.150 2.412 . 0 0 "[ . 1 . 2]" 1
2593 1 131 LEU H 1 131 LEU QB . . 3.330 2.213 2.120 2.360 . 0 0 "[ . 1 . 2]" 1
2594 1 131 LEU H 1 131 LEU HB3 . . 4.150 3.266 3.083 3.396 . 0 0 "[ . 1 . 2]" 1
2595 1 131 LEU H 1 131 LEU MD1 . . 4.650 4.025 3.752 4.193 . 0 0 "[ . 1 . 2]" 1
2596 1 131 LEU H 1 131 LEU QD . . 3.830 3.546 2.963 3.821 . 0 0 "[ . 1 . 2]" 1
2597 1 131 LEU H 1 131 LEU MD2 . . 4.650 4.109 3.029 4.506 . 0 0 "[ . 1 . 2]" 1
2598 1 131 LEU H 1 131 LEU HG . . 3.920 4.096 3.719 4.601 0.681 6 6 "[ .+ **1-* .* 2]" 1
2599 1 131 LEU H 1 132 ARG H . . 4.510 4.549 4.478 4.594 0.084 12 0 "[ . 1 . 2]" 1
2600 1 131 LEU HA 1 131 LEU MD1 . . 4.440 3.177 1.889 3.742 . 0 0 "[ . 1 . 2]" 1
2601 1 131 LEU HA 1 131 LEU QD . . 3.400 2.321 1.813 2.660 . 0 0 "[ . 1 . 2]" 1
2602 1 131 LEU HA 1 131 LEU MD2 . . 4.440 2.523 2.306 2.731 . 0 0 "[ . 1 . 2]" 1
2603 1 131 LEU HA 1 132 ARG H . . 3.130 2.347 2.273 2.498 . 0 0 "[ . 1 . 2]" 1
2604 1 131 LEU QB 1 131 LEU QD . . 2.830 1.901 1.810 2.040 . 0 0 "[ . 1 . 2]" 1
2605 1 131 LEU QB 1 132 ARG H . . 3.700 3.018 2.578 3.331 . 0 0 "[ . 1 . 2]" 1
2606 1 131 LEU HB2 1 132 ARG H . . 4.520 4.245 3.985 4.383 . 0 0 "[ . 1 . 2]" 1
2607 1 131 LEU HB3 1 132 ARG H . . 4.520 3.091 2.610 3.452 . 0 0 "[ . 1 . 2]" 1
2608 1 131 LEU QD 1 132 ARG H . . 3.780 2.157 1.881 2.637 . 0 0 "[ . 1 . 2]" 1
2609 1 132 ARG H 1 132 ARG HB2 . . 3.990 3.656 2.591 3.873 . 0 0 "[ . 1 . 2]" 1
2610 1 132 ARG H 1 132 ARG HB3 . . 3.990 3.187 2.872 3.694 . 0 0 "[ . 1 . 2]" 1
2611 1 132 ARG H 1 132 ARG QD . . 4.690 4.044 3.421 4.294 . 0 0 "[ . 1 . 2]" 1
2612 1 132 ARG H 1 132 ARG HG2 . . 4.240 2.654 2.026 3.264 . 0 0 "[ . 1 . 2]" 1
2613 1 132 ARG H 1 132 ARG QG . . 3.490 2.130 1.938 2.316 . 0 0 "[ . 1 . 2]" 1
2614 1 132 ARG H 1 132 ARG HG3 . . 4.240 2.499 1.956 3.633 . 0 0 "[ . 1 . 2]" 1
2615 1 132 ARG HA 1 132 ARG QD . . 4.880 4.058 2.377 4.627 . 0 0 "[ . 1 . 2]" 1
2616 1 132 ARG HA 1 133 CYS H . . 3.240 2.406 2.294 2.508 . 0 0 "[ . 1 . 2]" 1
2617 1 132 ARG QB 1 133 CYS H . . 3.460 2.704 2.464 3.002 . 0 0 "[ . 1 . 2]" 1
2618 1 132 ARG HB2 1 132 ARG QD . . 3.650 2.342 1.974 3.417 . 0 0 "[ . 1 . 2]" 1
2619 1 132 ARG HB2 1 133 CYS H . . 4.210 2.847 2.542 3.499 . 0 0 "[ . 1 . 2]" 1
2620 1 132 ARG HB3 1 132 ARG QD . . 3.650 2.936 2.258 3.477 . 0 0 "[ . 1 . 2]" 1
2621 1 132 ARG HB3 1 133 CYS H . . 4.210 3.842 2.517 4.052 . 0 0 "[ . 1 . 2]" 1
2622 1 132 ARG QD 1 133 CYS H . . 4.650 4.090 3.305 5.012 0.362 11 0 "[ . 1 . 2]" 1
2623 1 132 ARG QG 1 133 CYS H . . 4.540 4.014 3.349 4.509 . 0 0 "[ . 1 . 2]" 1
2624 1 133 CYS H 1 133 CYS HB2 . . 4.010 2.939 2.427 3.648 . 0 0 "[ . 1 . 2]" 1
2625 1 133 CYS H 1 133 CYS QB . . 3.350 2.457 2.209 2.727 . 0 0 "[ . 1 . 2]" 1
2626 1 133 CYS H 1 133 CYS HB3 . . 4.010 2.918 2.287 3.722 . 0 0 "[ . 1 . 2]" 1
2627 1 133 CYS HA 1 134 HIS H . . 3.150 2.322 2.220 2.478 . 0 0 "[ . 1 . 2]" 1
2628 1 133 CYS QB 1 134 HIS H . . 4.030 3.237 2.505 3.816 . 0 0 "[ . 1 . 2]" 1
2629 1 133 CYS QB 1 135 THR MG . . 4.060 2.900 2.081 3.642 . 0 0 "[ . 1 . 2]" 1
2630 1 133 CYS HB2 1 134 HIS H . . 4.660 3.767 2.540 4.480 . 0 0 "[ . 1 . 2]" 1
2631 1 133 CYS HB2 1 135 THR MG . . 4.870 3.536 2.298 4.742 . 0 0 "[ . 1 . 2]" 1
2632 1 133 CYS HB3 1 134 HIS H . . 4.660 3.803 2.943 4.409 . 0 0 "[ . 1 . 2]" 1
2633 1 133 CYS HB3 1 135 THR MG . . 4.870 3.376 2.379 4.260 . 0 0 "[ . 1 . 2]" 1
2634 1 134 HIS H 1 134 HIS HB2 . . 3.660 2.418 2.192 2.951 . 0 0 "[ . 1 . 2]" 1
2635 1 134 HIS H 1 134 HIS HB3 . . 3.560 2.963 2.481 3.346 . 0 0 "[ . 1 . 2]" 1
2636 1 134 HIS HA 1 135 THR H . . 3.520 2.391 2.198 2.708 . 0 0 "[ . 1 . 2]" 1
2637 1 134 HIS HB2 1 135 THR H . . 4.590 4.683 4.492 4.737 0.147 9 0 "[ . 1 . 2]" 1
2638 1 134 HIS HB3 1 135 THR H . . 4.620 4.332 3.692 4.562 . 0 0 "[ . 1 . 2]" 1
2639 1 134 HIS HD2 1 136 VAL QG . . 4.910 6.627 3.934 8.843 3.933 14 16 "[ * ** *****-*+*****2]" 1
2640 1 135 THR H 1 135 THR MG . . 3.960 2.351 1.898 3.028 . 0 0 "[ . 1 . 2]" 1
2641 1 135 THR HA 1 135 THR MG . . 3.320 2.631 2.236 3.238 . 0 0 "[ . 1 . 2]" 1
2642 1 135 THR HA 1 136 VAL H . . 3.170 2.513 2.149 3.075 . 0 0 "[ . 1 . 2]" 1
2643 1 135 THR HA 1 136 VAL QG . . 4.490 3.613 3.172 4.233 . 0 0 "[ . 1 . 2]" 1
2644 1 135 THR HB 1 136 VAL H . . 4.500 3.020 2.054 3.694 . 0 0 "[ . 1 . 2]" 1
2645 1 135 THR MG 1 136 VAL H . . 4.310 3.581 2.092 4.229 . 0 0 "[ . 1 . 2]" 1
2646 1 136 VAL H 1 136 VAL HB . . 3.730 3.263 2.427 3.634 . 0 0 "[ . 1 . 2]" 1
2647 1 136 VAL H 1 136 VAL MG1 . . 4.070 2.649 1.956 4.015 . 0 0 "[ . 1 . 2]" 1
2648 1 136 VAL H 1 136 VAL QG . . 3.390 2.279 1.862 3.022 . 0 0 "[ . 1 . 2]" 1
2649 1 136 VAL H 1 136 VAL MG2 . . 4.070 3.109 1.899 4.058 . 0 0 "[ . 1 . 2]" 1
2650 1 136 VAL HA 1 136 VAL MG1 . . 3.580 2.765 2.169 3.220 . 0 0 "[ . 1 . 2]" 1
2651 1 136 VAL HA 1 136 VAL QG . . 2.970 2.215 2.104 2.433 . 0 0 "[ . 1 . 2]" 1
2652 1 136 VAL HA 1 136 VAL MG2 . . 3.580 2.616 2.162 3.205 . 0 0 "[ . 1 . 2]" 1
2653 1 136 VAL HA 1 137 GLU H . . 3.550 2.427 2.183 2.718 . 0 0 "[ . 1 . 2]" 1
2654 1 136 VAL HB 1 137 GLU H . . 4.420 3.837 2.086 4.687 0.267 17 0 "[ . 1 . 2]" 1
2655 1 136 VAL QG 1 137 GLU H . . 3.840 2.901 1.854 3.770 . 0 0 "[ . 1 . 2]" 1
2656 1 136 VAL QG 1 137 GLU HA . . 4.510 3.784 3.182 4.260 . 0 0 "[ . 1 . 2]" 1
2657 1 136 VAL MG1 1 137 GLU H . . 4.570 3.668 2.233 4.350 . 0 0 "[ . 1 . 2]" 1
2658 1 136 VAL MG2 1 137 GLU H . . 4.570 3.305 1.864 4.139 . 0 0 "[ . 1 . 2]" 1
2659 1 137 GLU H 1 137 GLU QB . . 3.530 2.673 2.077 3.373 . 0 0 "[ . 1 . 2]" 1
2660 1 137 GLU H 1 137 GLU QG . . 4.270 3.603 2.292 4.369 0.099 8 0 "[ . 1 . 2]" 1
2661 1 137 GLU HA 1 137 GLU QG . . 3.670 2.331 1.953 3.353 . 0 0 "[ . 1 . 2]" 1
2662 1 140 LYS HA 1 140 LYS QD . . 5.000 3.507 2.471 4.336 . 0 0 "[ . 1 . 2]" 1
2663 1 140 LYS HA 1 141 PRO HD2 . . 3.300 2.548 2.199 3.018 . 0 0 "[ . 1 . 2]" 1
2664 1 140 LYS HA 1 141 PRO QD . . 2.870 1.914 1.838 2.151 . 0 0 "[ . 1 . 2]" 1
2665 1 140 LYS HA 1 141 PRO HD3 . . 3.300 1.986 1.912 2.202 . 0 0 "[ . 1 . 2]" 1
2666 1 140 LYS QB 1 141 PRO QD . . 3.880 2.757 1.998 3.461 . 0 0 "[ . 1 . 2]" 1
2667 1 143 SER HG 1 144 LEU H . . 4.500 4.005 2.104 5.422 0.922 6 2 "[ .+ 1 .- 2]" 1
2668 1 144 LEU H 1 144 LEU HG . . 4.980 4.003 2.161 4.996 0.016 7 0 "[ . 1 . 2]" 1
2669 1 144 LEU HB2 1 145 MET H . . 5.500 4.052 2.402 4.718 . 0 0 "[ . 1 . 2]" 1
2670 1 144 LEU HB3 1 145 MET H . . 5.500 3.669 2.563 4.579 . 0 0 "[ . 1 . 2]" 1
2671 1 146 LEU H 1 146 LEU QB . . 3.600 2.531 1.971 3.189 . 0 0 "[ . 1 . 2]" 1
2672 1 146 LEU H 1 146 LEU HG . . 4.020 3.555 1.966 4.340 0.320 2 0 "[ . 1 . 2]" 1
2673 1 146 LEU HA 1 146 LEU QD . . 3.840 2.688 1.975 3.406 . 0 0 "[ . 1 . 2]" 1
2674 1 148 GLY HA2 1 149 PRO QD . . 3.760 2.083 1.868 2.611 . 0 0 "[ . 1 . 2]" 1
2675 1 148 GLY HA3 1 149 PRO QD . . 3.760 2.841 2.029 3.437 . 0 0 "[ . 1 . 2]" 1
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