NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
425505 |
2gjy   |
6986 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2gjy
save_distance_constraint_statistics_1
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 1
_Distance_constraint_stats_list.Constraint_count 1548
_Distance_constraint_stats_list.Viol_count 2211
_Distance_constraint_stats_list.Viol_total 13682.476
_Distance_constraint_stats_list.Viol_max 2.164
_Distance_constraint_stats_list.Viol_rms 0.1164
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0221
_Distance_constraint_stats_list.Viol_average_violations_only 0.3094
_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 3 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 4 MET 0.693 0.277 17 0 "[ . 1 . 2]"
1 5 GLY 0.006 0.006 16 0 "[ . 1 . 2]"
1 6 ALA 0.609 0.136 3 0 "[ . 1 . 2]"
1 7 ALA 2.754 0.260 4 0 "[ . 1 . 2]"
1 8 CYS 0.096 0.053 14 0 "[ . 1 . 2]"
1 9 ASN 0.123 0.053 14 0 "[ . 1 . 2]"
1 10 VAL 32.404 0.560 8 1 "[ . + 1 . 2]"
1 11 LEU 14.330 0.412 1 0 "[ . 1 . 2]"
1 12 PHE 0.594 0.104 4 0 "[ . 1 . 2]"
1 13 ILE 0.142 0.082 20 0 "[ . 1 . 2]"
1 14 ASN 24.456 0.938 12 17 "[*** -***** +**** ***]"
1 15 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 VAL 0.358 0.090 7 0 "[ . 1 . 2]"
1 17 GLU 0.065 0.065 3 0 "[ . 1 . 2]"
1 18 MET 2.510 0.396 3 0 "[ . 1 . 2]"
1 19 GLU 6.353 0.447 14 0 "[ . 1 . 2]"
1 20 SER 4.598 0.489 3 0 "[ . 1 . 2]"
1 21 LEU 2.905 0.489 3 0 "[ . 1 . 2]"
1 22 THR 0.609 0.076 3 0 "[ . 1 . 2]"
1 23 GLY 51.679 1.540 8 20 [*-*****+************]
1 24 PRO 2.969 0.358 1 0 "[ . 1 . 2]"
1 25 GLN 6.971 0.379 7 0 "[ . 1 . 2]"
1 26 ALA 21.061 1.151 20 9 "[** * - **.* * +]"
1 27 ILE 81.153 1.540 8 20 [*******+**-*********]
1 28 SER 10.239 0.466 19 0 "[ . 1 . 2]"
1 29 LYS 56.930 2.164 16 19 "[********** ****+-***]"
1 30 ALA 20.002 1.151 20 9 "[** * - **.* * +]"
1 31 VAL 29.118 1.286 3 9 "[ + .* **1-* * * *2]"
1 32 ALA 3.663 0.346 11 0 "[ . 1 . 2]"
1 33 GLU 63.388 2.164 16 20 [***************+-***]
1 34 THR 7.914 0.566 11 2 "[ . - 1+ . 2]"
1 35 LEU 7.062 0.505 8 1 "[ . + 1 . 2]"
1 36 VAL 3.104 0.409 4 0 "[ . 1 . 2]"
1 37 ALA 6.280 0.356 16 0 "[ . 1 . 2]"
1 38 ASP 1.212 0.308 9 0 "[ . 1 . 2]"
1 39 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 THR 0.038 0.038 9 0 "[ . 1 . 2]"
1 41 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 THR 3.320 0.321 2 0 "[ . 1 . 2]"
1 43 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 44 THR 0.876 0.195 20 0 "[ . 1 . 2]"
1 45 ILE 6.603 0.344 4 0 "[ . 1 . 2]"
1 46 VAL 34.557 0.560 8 2 "[ -. + 1 . 2]"
1 47 HIS 2.098 0.404 4 0 "[ . 1 . 2]"
1 48 PHE 0.715 0.242 6 0 "[ . 1 . 2]"
1 49 LYS 39.795 0.745 6 14 "[*- *.+** **** * ** *]"
1 50 VAL 2.854 0.260 4 0 "[ . 1 . 2]"
1 51 SER 1.362 0.277 17 0 "[ . 1 . 2]"
1 52 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 53 GLN 0.696 0.194 1 0 "[ . 1 . 2]"
1 54 GLY 0.661 0.194 1 0 "[ . 1 . 2]"
1 55 ILE 3.338 0.297 5 0 "[ . 1 . 2]"
1 56 THR 39.128 0.745 6 14 "[*- *.+** **** * ** *]"
1 57 LEU 19.819 0.915 6 10 "[** .+- 1* *** **]"
1 58 THR 2.616 0.529 4 1 "[ +. 1 . 2]"
1 59 ASP 0.854 0.161 1 0 "[ . 1 . 2]"
1 60 ASN 2.840 0.344 4 0 "[ . 1 . 2]"
1 61 GLN 0.422 0.097 14 0 "[ . 1 . 2]"
1 62 ARG 5.580 0.471 18 0 "[ . 1 . 2]"
1 63 LYS 5.078 0.471 18 0 "[ . 1 . 2]"
1 65 PHE 1.364 0.261 4 0 "[ . 1 . 2]"
1 66 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 67 ARG 0.525 0.206 18 0 "[ . 1 . 2]"
1 68 ARG 25.423 0.915 6 10 "[** .+- 1* *** **]"
1 69 HIS 8.688 0.425 19 0 "[ . 1 . 2]"
1 70 TYR 5.548 0.308 14 0 "[ . 1 . 2]"
1 71 PRO 0.372 0.322 20 0 "[ . 1 . 2]"
1 72 LEU 1.555 0.289 11 0 "[ . 1 . 2]"
1 73 ASN 2.710 0.322 20 0 "[ . 1 . 2]"
1 74 THR 4.704 0.427 12 0 "[ . 1 . 2]"
1 75 VAL 8.460 0.427 12 0 "[ . 1 . 2]"
1 76 THR 1.442 0.371 11 0 "[ . 1 . 2]"
1 77 PHE 6.816 0.315 11 0 "[ . 1 . 2]"
1 78 CYS 0.981 0.148 10 0 "[ . 1 . 2]"
1 79 ASP 33.033 1.059 1 20 [+*********-*********]
1 80 LEU 2.295 0.273 16 0 "[ . 1 . 2]"
1 81 ASP 1.168 0.168 18 0 "[ . 1 . 2]"
1 83 GLN 3.020 0.452 11 0 "[ . 1 . 2]"
1 84 GLU 0.988 0.376 17 0 "[ . 1 . 2]"
1 85 ARG 2.870 0.452 11 0 "[ . 1 . 2]"
1 86 LYS 0.827 0.103 12 0 "[ . 1 . 2]"
1 87 TRP 4.955 0.367 20 0 "[ . 1 . 2]"
1 89 LYS 0.556 0.173 18 0 "[ . 1 . 2]"
1 91 ASP 1.129 0.190 4 0 "[ . 1 . 2]"
1 92 GLY 0.258 0.190 4 0 "[ . 1 . 2]"
1 93 SER 0.067 0.067 14 0 "[ . 1 . 2]"
1 94 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 95 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 96 ALA 1.932 0.300 18 0 "[ . 1 . 2]"
1 97 LYS 0.247 0.103 12 0 "[ . 1 . 2]"
1 98 LEU 0.831 0.367 20 0 "[ . 1 . 2]"
1 99 PHE 33.666 0.683 5 13 "[ ***+ *-1 ** .*****]"
1 100 GLY 31.429 1.059 1 20 [+*********-*********]
1 101 PHE 77.832 1.219 11 20 [*****-****+*********]
1 102 VAL 10.139 0.371 11 0 "[ . 1 . 2]"
1 103 ALA 65.280 1.251 20 19 "[*******-**** ******+]"
1 104 ARG 3.690 0.314 17 0 "[ . 1 . 2]"
1 105 LYS 0.782 0.244 2 0 "[ . 1 . 2]"
1 106 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 108 SER 3.026 0.290 2 0 "[ . 1 . 2]"
1 110 THR 2.234 0.424 10 0 "[ . 1 . 2]"
1 111 ASP 4.404 0.447 14 0 "[ . 1 . 2]"
1 112 ASN 10.440 0.425 7 0 "[ . 1 . 2]"
1 113 VAL 61.036 1.251 20 19 "[*******-**** ******+]"
1 114 CYS 0.659 0.138 10 0 "[ . 1 . 2]"
1 115 HIS 71.691 1.219 11 20 [*****-****+*********]
1 116 LEU 26.532 0.938 12 17 "[*** -***** +**** ***]"
1 117 PHE 35.479 0.683 5 13 "[ ***+ *-1 ** .*****]"
1 118 ALA 11.710 0.412 1 0 "[ . 1 . 2]"
1 119 GLU 3.136 0.367 19 0 "[ . 1 . 2]"
1 120 LEU 2.714 0.381 10 0 "[ . 1 . 2]"
1 121 ASP 5.044 0.381 10 0 "[ . 1 . 2]"
1 123 ASP 2.331 0.259 19 0 "[ . 1 . 2]"
1 124 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 125 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 126 ALA 1.564 0.348 8 0 "[ . 1 . 2]"
1 127 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 128 ALA 0.119 0.097 3 0 "[ . 1 . 2]"
1 129 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 130 VAL 5.584 0.345 9 0 "[ . 1 . 2]"
1 131 ASN 7.121 0.337 16 0 "[ . 1 . 2]"
1 132 PHE 50.445 0.980 17 16 "[****. **1****-*+***]"
1 133 VAL 17.236 0.755 8 12 "[****. + 1**-*.* **2]"
1 134 SER 22.302 0.516 8 1 "[ . + 1 . 2]"
1 135 ARG 4.744 0.456 4 0 "[ . 1 . 2]"
1 136 VAL 20.346 0.980 17 9 "[****. *1 * - + *]"
1 137 MET 1.873 0.208 19 0 "[ . 1 . 2]"
1 138 LEU 0.967 0.165 6 0 "[ . 1 . 2]"
1 139 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 141 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 143 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 144 ARG 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 3 HIS QB 1 4 MET H . . 6.380 2.755 1.762 4.039 . 0 0 "[ . 1 . 2]" 1
2 1 4 MET H 1 4 MET QB . . 3.630 2.949 2.233 3.513 . 0 0 "[ . 1 . 2]" 1
3 1 4 MET H 1 5 GLY H . . 4.910 4.168 2.070 4.672 . 0 0 "[ . 1 . 2]" 1
4 1 4 MET H 1 5 GLY QA . . 5.920 4.685 3.581 5.429 . 0 0 "[ . 1 . 2]" 1
5 1 4 MET H 1 6 ALA H . . 5.190 4.799 4.015 5.240 0.050 15 0 "[ . 1 . 2]" 1
6 1 4 MET H 1 51 SER H . . 5.500 5.392 5.148 5.777 0.277 17 0 "[ . 1 . 2]" 1
7 1 4 MET HA 1 4 MET QB . . 2.610 2.321 2.057 2.548 . 0 0 "[ . 1 . 2]" 1
8 1 4 MET HA 1 6 ALA H . . 4.970 4.046 3.005 4.862 . 0 0 "[ . 1 . 2]" 1
9 1 5 GLY H 1 6 ALA HA . . 5.500 4.789 4.359 5.506 0.006 16 0 "[ . 1 . 2]" 1
10 1 6 ALA H 1 49 LYS HA . . 4.910 4.604 4.154 5.012 0.102 4 0 "[ . 1 . 2]" 1
11 1 6 ALA H 1 49 LYS QB . . 6.380 5.414 4.771 5.952 . 0 0 "[ . 1 . 2]" 1
12 1 6 ALA H 1 50 VAL H . . 4.320 4.003 3.378 4.456 0.136 3 0 "[ . 1 . 2]" 1
13 1 6 ALA HA 1 7 ALA H . . 2.830 2.368 2.075 2.483 . 0 0 "[ . 1 . 2]" 1
14 1 6 ALA HA 1 50 VAL H . . 5.500 4.742 4.449 5.053 . 0 0 "[ . 1 . 2]" 1
15 1 6 ALA MB 1 7 ALA MB . . 7.090 4.157 4.047 4.294 . 0 0 "[ . 1 . 2]" 1
16 1 6 ALA MB 1 8 CYS H . . 6.530 4.458 4.146 4.684 . 0 0 "[ . 1 . 2]" 1
17 1 6 ALA MB 1 49 LYS QG . . 5.080 3.618 3.341 3.983 . 0 0 "[ . 1 . 2]" 1
18 1 6 ALA MB 1 50 VAL H . . 6.530 2.156 1.793 2.582 . 0 0 "[ . 1 . 2]" 1
19 1 6 ALA MB 1 50 VAL HB . . 4.170 2.808 1.958 4.120 . 0 0 "[ . 1 . 2]" 1
20 1 6 ALA MB 1 50 VAL QG . . 7.690 2.693 1.574 3.287 . 0 0 "[ . 1 . 2]" 1
21 1 6 ALA MB 1 132 PHE QD . . 8.650 4.492 3.701 5.462 . 0 0 "[ . 1 . 2]" 1
22 1 6 ALA MB 1 132 PHE QE . . 8.650 2.905 2.012 4.114 . 0 0 "[ . 1 . 2]" 1
23 1 6 ALA MB 1 132 PHE HZ . . 6.530 2.703 2.085 4.781 . 0 0 "[ . 1 . 2]" 1
24 1 6 ALA MB 1 136 VAL QG . . 7.380 4.359 3.883 4.607 . 0 0 "[ . 1 . 2]" 1
25 1 7 ALA H 1 8 CYS H . . 3.670 3.438 3.049 3.660 . 0 0 "[ . 1 . 2]" 1
26 1 7 ALA H 1 49 LYS HA . . 5.100 4.170 3.950 4.446 . 0 0 "[ . 1 . 2]" 1
27 1 7 ALA H 1 50 VAL H . . 5.100 4.424 4.064 4.795 . 0 0 "[ . 1 . 2]" 1
28 1 7 ALA HA 1 8 CYS H . . 3.020 2.199 2.145 2.278 . 0 0 "[ . 1 . 2]" 1
29 1 7 ALA HA 1 48 PHE QB . . 6.380 4.628 4.179 5.008 . 0 0 "[ . 1 . 2]" 1
30 1 7 ALA HA 1 49 LYS HA . . 2.590 2.596 2.320 2.777 0.187 20 0 "[ . 1 . 2]" 1
31 1 7 ALA HA 1 50 VAL H . . 4.070 4.135 3.891 4.330 0.260 4 0 "[ . 1 . 2]" 1
32 1 7 ALA MB 1 8 CYS HA . . 6.530 4.234 4.112 4.402 . 0 0 "[ . 1 . 2]" 1
33 1 7 ALA MB 1 8 CYS QB . . 6.760 4.983 4.775 5.082 . 0 0 "[ . 1 . 2]" 1
34 1 7 ALA MB 1 47 HIS HA . . 6.530 5.107 4.368 5.463 . 0 0 "[ . 1 . 2]" 1
35 1 7 ALA MB 1 47 HIS HE1 . . 6.530 4.108 2.484 5.152 . 0 0 "[ . 1 . 2]" 1
36 1 7 ALA MB 1 48 PHE H . . 6.530 5.060 4.320 5.677 . 0 0 "[ . 1 . 2]" 1
37 1 7 ALA MB 1 49 LYS HA . . 5.230 3.714 3.359 4.007 . 0 0 "[ . 1 . 2]" 1
38 1 7 ALA MB 1 50 VAL H . . 6.530 4.959 4.703 5.249 . 0 0 "[ . 1 . 2]" 1
39 1 8 CYS H 1 9 ASN H . . 5.500 4.455 4.231 4.568 . 0 0 "[ . 1 . 2]" 1
40 1 8 CYS H 1 10 VAL QG . . 8.090 4.539 4.316 4.797 . 0 0 "[ . 1 . 2]" 1
41 1 8 CYS H 1 47 HIS HA . . 4.850 4.310 4.056 4.618 . 0 0 "[ . 1 . 2]" 1
42 1 8 CYS H 1 48 PHE H . . 3.860 3.040 2.646 3.316 . 0 0 "[ . 1 . 2]" 1
43 1 8 CYS H 1 48 PHE QB . . 6.380 3.118 2.617 3.431 . 0 0 "[ . 1 . 2]" 1
44 1 8 CYS H 1 49 LYS QB . . 6.380 4.893 4.336 5.298 . 0 0 "[ . 1 . 2]" 1
45 1 8 CYS H 1 49 LYS QD . . 6.380 5.574 5.038 6.098 . 0 0 "[ . 1 . 2]" 1
46 1 8 CYS H 1 50 VAL QG . . 7.620 4.606 3.901 4.903 . 0 0 "[ . 1 . 2]" 1
47 1 8 CYS HA 1 124 GLN QB . . 6.380 4.587 3.877 5.011 . 0 0 "[ . 1 . 2]" 1
48 1 8 CYS QB 1 9 ASN H . . 3.520 2.215 1.944 2.514 . 0 0 "[ . 1 . 2]" 1
49 1 8 CYS QB 1 10 VAL QG . . 7.980 3.280 3.007 3.873 . 0 0 "[ . 1 . 2]" 1
50 1 8 CYS QB 1 48 PHE H . . 6.380 3.917 3.556 4.622 . 0 0 "[ . 1 . 2]" 1
51 1 8 CYS QB 1 50 VAL QG . . 8.500 4.581 3.821 5.086 . 0 0 "[ . 1 . 2]" 1
52 1 8 CYS HB2 1 9 ASN H . . 3.700 3.199 2.025 3.753 0.053 14 0 "[ . 1 . 2]" 1
53 1 8 CYS HB3 1 9 ASN H . . 3.700 2.609 1.959 3.709 0.009 16 0 "[ . 1 . 2]" 1
54 1 9 ASN H 1 10 VAL H . . 5.500 4.346 4.159 4.481 . 0 0 "[ . 1 . 2]" 1
55 1 9 ASN H 1 121 ASP HB2 . . 5.500 3.902 3.057 4.972 . 0 0 "[ . 1 . 2]" 1
56 1 9 ASN H 1 121 ASP QB . . 4.980 3.609 3.003 4.297 . 0 0 "[ . 1 . 2]" 1
57 1 9 ASN H 1 121 ASP HB3 . . 5.500 4.565 4.001 5.382 . 0 0 "[ . 1 . 2]" 1
58 1 9 ASN H 1 124 GLN QB . . 6.380 3.921 3.119 4.358 . 0 0 "[ . 1 . 2]" 1
59 1 9 ASN H 1 124 GLN QG . . 6.380 4.842 3.749 5.711 . 0 0 "[ . 1 . 2]" 1
60 1 9 ASN HA 1 10 VAL H . . 3.080 2.100 2.036 2.189 . 0 0 "[ . 1 . 2]" 1
61 1 9 ASN HA 1 46 VAL H . . 5.500 4.575 4.315 4.930 . 0 0 "[ . 1 . 2]" 1
62 1 9 ASN HA 1 47 HIS HA . . 3.080 2.542 2.205 3.107 0.027 8 0 "[ . 1 . 2]" 1
63 1 9 ASN HA 1 48 PHE H . . 4.040 3.366 2.952 3.708 . 0 0 "[ . 1 . 2]" 1
64 1 9 ASN HB2 1 10 VAL H . . 4.850 4.315 4.081 4.543 . 0 0 "[ . 1 . 2]" 1
65 1 9 ASN HB3 1 10 VAL H . . 4.850 3.467 3.104 4.249 . 0 0 "[ . 1 . 2]" 1
66 1 10 VAL H 1 11 LEU H . . 5.000 4.389 4.332 4.433 . 0 0 "[ . 1 . 2]" 1
67 1 10 VAL H 1 45 ILE HA . . 5.500 4.472 4.029 4.898 . 0 0 "[ . 1 . 2]" 1
68 1 10 VAL H 1 45 ILE MG . . 6.280 3.840 3.301 5.434 . 0 0 "[ . 1 . 2]" 1
69 1 10 VAL H 1 46 VAL H . . 4.040 3.120 2.823 3.447 . 0 0 "[ . 1 . 2]" 1
70 1 10 VAL H 1 46 VAL O . . 1.400 1.785 1.682 1.957 0.557 8 1 "[ . + 1 . 2]" 1
71 1 10 VAL H 1 47 HIS HA . . 4.630 3.431 2.939 3.748 . 0 0 "[ . 1 . 2]" 1
72 1 10 VAL H 1 48 PHE H . . 5.440 3.890 3.666 4.288 . 0 0 "[ . 1 . 2]" 1
73 1 10 VAL H 1 120 LEU QB . . 6.380 3.891 3.388 5.613 . 0 0 "[ . 1 . 2]" 1
74 1 10 VAL H 1 120 LEU QD . . 7.110 4.467 2.664 5.387 . 0 0 "[ . 1 . 2]" 1
75 1 10 VAL HA 1 119 GLU HA . . 3.890 3.205 2.900 3.598 . 0 0 "[ . 1 . 2]" 1
76 1 10 VAL HA 1 120 LEU H . . 4.820 2.400 2.041 2.827 . 0 0 "[ . 1 . 2]" 1
77 1 10 VAL HB 1 11 LEU H . . 3.270 2.767 2.458 3.058 . 0 0 "[ . 1 . 2]" 1
78 1 10 VAL HB 1 117 PHE HA . . 5.100 4.615 4.333 4.760 . 0 0 "[ . 1 . 2]" 1
79 1 10 VAL HB 1 117 PHE QB . . 5.040 2.595 2.251 2.893 . 0 0 "[ . 1 . 2]" 1
80 1 10 VAL HB 1 118 ALA H . . 4.820 4.049 3.507 4.544 . 0 0 "[ . 1 . 2]" 1
81 1 10 VAL HB 1 119 GLU HA . . 3.890 3.782 3.280 4.257 0.367 19 0 "[ . 1 . 2]" 1
82 1 10 VAL HB 1 120 LEU H . . 5.500 4.194 3.566 4.573 . 0 0 "[ . 1 . 2]" 1
83 1 10 VAL QG 1 11 LEU H . . 6.040 3.049 2.763 3.280 . 0 0 "[ . 1 . 2]" 1
84 1 10 VAL QG 1 11 LEU HA . . 8.090 3.841 3.648 4.009 . 0 0 "[ . 1 . 2]" 1
85 1 10 VAL QG 1 12 PHE H . . 8.090 3.828 3.566 4.104 . 0 0 "[ . 1 . 2]" 1
86 1 10 VAL QG 1 12 PHE HA . . 8.090 3.505 3.342 3.748 . 0 0 "[ . 1 . 2]" 1
87 1 10 VAL QG 1 12 PHE QB . . 7.870 3.885 3.550 4.155 . 0 0 "[ . 1 . 2]" 1
88 1 10 VAL QG 1 46 VAL H . . 6.260 3.636 3.491 3.749 . 0 0 "[ . 1 . 2]" 1
89 1 10 VAL QG 1 47 HIS HA . . 7.220 3.823 3.391 4.038 . 0 0 "[ . 1 . 2]" 1
90 1 10 VAL QG 1 48 PHE HA . . 7.620 3.724 3.496 3.858 . 0 0 "[ . 1 . 2]" 1
91 1 10 VAL QG 1 48 PHE QB . . 8.960 1.883 1.793 2.028 . 0 0 "[ . 1 . 2]" 1
92 1 10 VAL QG 1 48 PHE QD . . 9.530 1.880 1.747 2.235 . 0 0 "[ . 1 . 2]" 1
93 1 10 VAL QG 1 55 ILE MG . . 8.190 4.769 4.431 5.084 . 0 0 "[ . 1 . 2]" 1
94 1 10 VAL QG 1 99 PHE QE . . 7.670 2.833 2.163 3.292 . 0 0 "[ . 1 . 2]" 1
95 1 10 VAL QG 1 99 PHE HZ . . 4.260 2.266 1.765 2.760 . 0 0 "[ . 1 . 2]" 1
96 1 10 VAL QG 1 117 PHE HA . . 7.840 3.764 3.482 4.125 . 0 0 "[ . 1 . 2]" 1
97 1 10 VAL QG 1 118 ALA H . . 8.090 3.904 3.368 4.302 . 0 0 "[ . 1 . 2]" 1
98 1 10 VAL QG 1 119 GLU H . . 8.090 5.128 4.810 5.554 . 0 0 "[ . 1 . 2]" 1
99 1 10 VAL QG 1 119 GLU QB . . 8.780 4.560 4.035 5.243 . 0 0 "[ . 1 . 2]" 1
100 1 10 VAL QG 1 124 GLN QB . . 8.960 4.549 3.886 4.996 . 0 0 "[ . 1 . 2]" 1
101 1 10 VAL QG 1 126 ALA HA . . 7.060 4.639 4.294 4.849 . 0 0 "[ . 1 . 2]" 1
102 1 10 VAL QG 1 129 ILE MG . . 9.120 2.839 2.378 3.405 . 0 0 "[ . 1 . 2]" 1
103 1 10 VAL MG1 1 11 LEU H . . 6.530 4.074 3.849 4.212 . 0 0 "[ . 1 . 2]" 1
104 1 10 VAL MG1 1 12 PHE HB2 . . 9.650 6.632 6.282 6.999 . 0 0 "[ . 1 . 2]" 1
105 1 10 VAL MG1 1 12 PHE HB3 . . 9.650 7.699 7.377 8.084 . 0 0 "[ . 1 . 2]" 1
106 1 10 VAL MG1 1 46 VAL H . . 6.530 5.215 4.945 5.494 . 0 0 "[ . 1 . 2]" 1
107 1 10 VAL MG1 1 47 HIS H . . 6.530 5.914 5.769 6.340 . 0 0 "[ . 1 . 2]" 1
108 1 10 VAL MG1 1 48 PHE H . . 6.530 3.189 2.928 3.615 . 0 0 "[ . 1 . 2]" 1
109 1 10 VAL MG1 1 99 PHE QE . . 8.650 3.009 2.219 3.530 . 0 0 "[ . 1 . 2]" 1
110 1 10 VAL MG1 1 99 PHE HZ . . 4.980 2.406 1.792 3.010 . 0 0 "[ . 1 . 2]" 1
111 1 10 VAL MG1 1 120 LEU H . . 6.530 3.734 3.263 4.324 . 0 0 "[ . 1 . 2]" 1
112 1 10 VAL MG2 1 11 LEU H . . 6.530 3.156 2.813 3.439 . 0 0 "[ . 1 . 2]" 1
113 1 10 VAL MG2 1 12 PHE HB2 . . 9.650 4.068 3.690 4.350 . 0 0 "[ . 1 . 2]" 1
114 1 10 VAL MG2 1 12 PHE HB3 . . 9.650 5.154 4.806 5.537 . 0 0 "[ . 1 . 2]" 1
115 1 10 VAL MG2 1 46 VAL H . . 6.530 3.711 3.553 3.833 . 0 0 "[ . 1 . 2]" 1
116 1 10 VAL MG2 1 47 HIS H . . 6.530 4.887 4.496 5.168 . 0 0 "[ . 1 . 2]" 1
117 1 10 VAL MG2 1 48 PHE H . . 6.530 3.862 3.247 4.480 . 0 0 "[ . 1 . 2]" 1
118 1 10 VAL MG2 1 99 PHE QE . . 8.650 3.496 2.999 3.979 . 0 0 "[ . 1 . 2]" 1
119 1 10 VAL MG2 1 99 PHE HZ . . 4.980 2.802 2.127 3.208 . 0 0 "[ . 1 . 2]" 1
120 1 10 VAL MG2 1 120 LEU H . . 6.530 5.107 4.709 5.430 . 0 0 "[ . 1 . 2]" 1
121 1 10 VAL N 1 46 VAL O . . 2.400 2.780 2.683 2.960 0.560 8 1 "[ . + 1 . 2]" 1
122 1 10 VAL O 1 46 VAL H . . 1.400 1.795 1.698 1.893 0.493 3 0 "[ . 1 . 2]" 1
123 1 10 VAL O 1 46 VAL N . . 2.400 2.782 2.705 2.862 0.462 3 0 "[ . 1 . 2]" 1
124 1 11 LEU H 1 11 LEU HG . . 5.500 4.127 2.914 4.601 . 0 0 "[ . 1 . 2]" 1
125 1 11 LEU H 1 12 PHE H . . 5.500 4.339 4.228 4.441 . 0 0 "[ . 1 . 2]" 1
126 1 11 LEU H 1 45 ILE HA . . 4.850 4.949 4.787 5.085 0.235 3 0 "[ . 1 . 2]" 1
127 1 11 LEU H 1 46 VAL QG . . 7.620 4.282 3.945 4.457 . 0 0 "[ . 1 . 2]" 1
128 1 11 LEU H 1 96 ALA MB . . 6.530 5.405 5.183 5.653 . 0 0 "[ . 1 . 2]" 1
129 1 11 LEU H 1 117 PHE HA . . 5.500 4.409 4.207 4.592 . 0 0 "[ . 1 . 2]" 1
130 1 11 LEU H 1 118 ALA H . . 4.630 2.908 2.562 3.181 . 0 0 "[ . 1 . 2]" 1
131 1 11 LEU H 1 118 ALA MB . . 6.530 3.463 3.148 3.778 . 0 0 "[ . 1 . 2]" 1
132 1 11 LEU H 1 118 ALA O . . 1.400 1.693 1.637 1.812 0.412 1 0 "[ . 1 . 2]" 1
133 1 11 LEU H 1 119 GLU HA . . 5.500 3.928 3.629 4.212 . 0 0 "[ . 1 . 2]" 1
134 1 11 LEU H 1 120 LEU H . . 4.420 3.644 3.324 3.980 . 0 0 "[ . 1 . 2]" 1
135 1 11 LEU H 1 120 LEU QB . . 6.380 3.038 2.443 3.950 . 0 0 "[ . 1 . 2]" 1
136 1 11 LEU H 1 120 LEU QD . . 7.630 4.092 2.675 4.860 . 0 0 "[ . 1 . 2]" 1
137 1 11 LEU HA 1 12 PHE H . . 3.550 2.074 2.024 2.137 . 0 0 "[ . 1 . 2]" 1
138 1 11 LEU HA 1 43 ALA MB . . 6.530 4.429 3.572 5.120 . 0 0 "[ . 1 . 2]" 1
139 1 11 LEU HA 1 44 THR H . . 4.480 4.306 3.868 4.675 0.195 20 0 "[ . 1 . 2]" 1
140 1 11 LEU HA 1 44 THR MG . . 6.530 4.932 4.487 5.212 . 0 0 "[ . 1 . 2]" 1
141 1 11 LEU HA 1 45 ILE H . . 5.190 4.666 4.484 4.821 . 0 0 "[ . 1 . 2]" 1
142 1 11 LEU HA 1 46 VAL H . . 4.040 3.156 2.790 3.451 . 0 0 "[ . 1 . 2]" 1
143 1 11 LEU HA 1 118 ALA H . . 4.690 4.453 4.313 4.651 . 0 0 "[ . 1 . 2]" 1
144 1 11 LEU QB 1 12 PHE H . . 6.280 3.707 3.281 3.928 . 0 0 "[ . 1 . 2]" 1
145 1 11 LEU QB 1 12 PHE HA . . 6.040 4.892 4.601 5.154 . 0 0 "[ . 1 . 2]" 1
146 1 11 LEU QB 1 44 THR H . . 6.380 4.780 3.780 5.491 . 0 0 "[ . 1 . 2]" 1
147 1 11 LEU QB 1 87 TRP HD1 . . 6.380 4.674 3.504 6.015 . 0 0 "[ . 1 . 2]" 1
148 1 11 LEU QB 1 117 PHE HA . . 6.380 4.185 3.979 4.467 . 0 0 "[ . 1 . 2]" 1
149 1 11 LEU QD 1 13 ILE QG . . 8.970 4.123 2.755 4.960 . 0 0 "[ . 1 . 2]" 1
150 1 11 LEU QD 1 43 ALA H . . 6.270 4.106 3.712 4.542 . 0 0 "[ . 1 . 2]" 1
151 1 11 LEU QD 1 46 VAL H . . 8.100 3.926 3.576 4.947 . 0 0 "[ . 1 . 2]" 1
152 1 11 LEU QD 1 87 TRP QB . . 8.420 4.048 3.319 5.118 . 0 0 "[ . 1 . 2]" 1
153 1 11 LEU QD 1 87 TRP HE1 . . 8.100 3.545 2.620 4.872 . 0 0 "[ . 1 . 2]" 1
154 1 11 LEU QD 1 89 LYS H . . 8.100 4.717 3.917 5.764 . 0 0 "[ . 1 . 2]" 1
155 1 11 LEU QD 1 119 GLU H . . 8.100 5.483 5.050 5.872 . 0 0 "[ . 1 . 2]" 1
156 1 11 LEU MD1 1 12 PHE H . . 6.530 3.725 2.493 5.173 . 0 0 "[ . 1 . 2]" 1
157 1 11 LEU MD1 1 43 ALA H . . 6.530 4.767 3.969 5.323 . 0 0 "[ . 1 . 2]" 1
158 1 11 LEU MD1 1 44 THR H . . 6.530 3.920 2.616 5.336 . 0 0 "[ . 1 . 2]" 1
159 1 11 LEU MD1 1 45 ILE H . . 6.530 4.623 2.998 5.647 . 0 0 "[ . 1 . 2]" 1
160 1 11 LEU MD1 1 118 ALA H . . 6.530 4.322 2.929 5.326 . 0 0 "[ . 1 . 2]" 1
161 1 11 LEU MD2 1 12 PHE H . . 6.530 3.618 2.564 5.024 . 0 0 "[ . 1 . 2]" 1
162 1 11 LEU MD2 1 43 ALA H . . 6.530 4.561 4.044 4.926 . 0 0 "[ . 1 . 2]" 1
163 1 11 LEU MD2 1 44 THR H . . 6.530 3.700 2.727 5.080 . 0 0 "[ . 1 . 2]" 1
164 1 11 LEU MD2 1 45 ILE H . . 6.530 4.261 2.995 5.664 . 0 0 "[ . 1 . 2]" 1
165 1 11 LEU MD2 1 118 ALA H . . 6.530 4.603 3.025 5.316 . 0 0 "[ . 1 . 2]" 1
166 1 11 LEU HG 1 118 ALA H . . 5.500 4.803 4.059 5.303 . 0 0 "[ . 1 . 2]" 1
167 1 11 LEU N 1 118 ALA O . . 2.400 2.686 2.631 2.767 0.367 12 0 "[ . 1 . 2]" 1
168 1 12 PHE H 1 13 ILE H . . 5.500 4.446 4.297 4.536 . 0 0 "[ . 1 . 2]" 1
169 1 12 PHE H 1 44 THR H . . 3.950 3.183 2.873 3.492 . 0 0 "[ . 1 . 2]" 1
170 1 12 PHE H 1 44 THR HB . . 5.500 4.289 3.672 5.603 0.103 5 0 "[ . 1 . 2]" 1
171 1 12 PHE H 1 44 THR MG . . 6.530 3.868 3.101 4.411 . 0 0 "[ . 1 . 2]" 1
172 1 12 PHE H 1 45 ILE H . . 5.380 4.773 4.693 4.923 . 0 0 "[ . 1 . 2]" 1
173 1 12 PHE H 1 45 ILE HA . . 4.480 3.613 3.264 3.946 . 0 0 "[ . 1 . 2]" 1
174 1 12 PHE H 1 46 VAL H . . 4.690 3.443 3.089 3.849 . 0 0 "[ . 1 . 2]" 1
175 1 12 PHE H 1 46 VAL QG . . 7.620 2.466 2.129 2.634 . 0 0 "[ . 1 . 2]" 1
176 1 12 PHE HA 1 13 ILE H . . 3.420 2.157 2.109 2.185 . 0 0 "[ . 1 . 2]" 1
177 1 12 PHE HA 1 57 LEU MD1 . . 6.250 5.016 4.732 5.182 . 0 0 "[ . 1 . 2]" 1
178 1 12 PHE HA 1 57 LEU QD . . 5.750 4.163 3.926 4.312 . 0 0 "[ . 1 . 2]" 1
179 1 12 PHE HA 1 57 LEU MD2 . . 6.250 4.466 4.082 4.842 . 0 0 "[ . 1 . 2]" 1
180 1 12 PHE HA 1 117 PHE HA . . 4.260 3.340 3.042 3.523 . 0 0 "[ . 1 . 2]" 1
181 1 12 PHE HA 1 117 PHE QB . . 6.380 4.232 4.056 4.496 . 0 0 "[ . 1 . 2]" 1
182 1 12 PHE HA 1 117 PHE QD . . 7.620 2.094 1.965 2.590 . 0 0 "[ . 1 . 2]" 1
183 1 12 PHE HA 1 118 ALA H . . 4.880 4.530 4.300 4.710 . 0 0 "[ . 1 . 2]" 1
184 1 12 PHE QB 1 43 ALA HA . . 5.260 4.488 4.266 4.774 . 0 0 "[ . 1 . 2]" 1
185 1 12 PHE QB 1 44 THR H . . 6.380 2.817 2.624 3.103 . 0 0 "[ . 1 . 2]" 1
186 1 12 PHE QD 1 57 LEU QD . . 10.220 3.130 2.610 4.233 . 0 0 "[ . 1 . 2]" 1
187 1 12 PHE QD 1 115 HIS HD2 . . 7.060 4.496 3.097 6.083 . 0 0 "[ . 1 . 2]" 1
188 1 12 PHE QE 1 13 ILE H . . 7.620 4.587 4.228 5.184 . 0 0 "[ . 1 . 2]" 1
189 1 12 PHE QE 1 14 ASN H . . 7.620 4.397 3.369 4.992 . 0 0 "[ . 1 . 2]" 1
190 1 12 PHE QE 1 14 ASN HA . . 7.620 2.765 2.017 3.403 . 0 0 "[ . 1 . 2]" 1
191 1 12 PHE QE 1 115 HIS HD2 . . 7.620 3.799 2.011 4.630 . 0 0 "[ . 1 . 2]" 1
192 1 12 PHE HZ 1 14 ASN H . . 5.500 5.425 5.070 5.604 0.104 4 0 "[ . 1 . 2]" 1
193 1 12 PHE HZ 1 14 ASN HA . . 5.220 3.219 2.687 3.784 . 0 0 "[ . 1 . 2]" 1
194 1 13 ILE H 1 14 ASN H . . 3.300 2.900 2.727 3.178 . 0 0 "[ . 1 . 2]" 1
195 1 13 ILE H 1 14 ASN QB . . 6.380 5.150 4.995 5.332 . 0 0 "[ . 1 . 2]" 1
196 1 13 ILE H 1 116 LEU H . . 5.500 4.344 4.163 4.548 . 0 0 "[ . 1 . 2]" 1
197 1 13 ILE H 1 117 PHE HA . . 3.640 3.085 2.528 3.409 . 0 0 "[ . 1 . 2]" 1
198 1 13 ILE H 1 118 ALA H . . 4.880 4.668 4.011 4.962 0.082 20 0 "[ . 1 . 2]" 1
199 1 13 ILE HA 1 13 ILE MD . . 4.640 2.224 1.935 2.642 . 0 0 "[ . 1 . 2]" 1
200 1 13 ILE HA 1 44 THR H . . 4.880 4.155 3.863 4.838 . 0 0 "[ . 1 . 2]" 1
201 1 13 ILE HB 1 14 ASN QB . . 5.940 4.274 4.063 4.679 . 0 0 "[ . 1 . 2]" 1
202 1 13 ILE HB 1 117 PHE HA . . 5.340 3.780 3.057 4.150 . 0 0 "[ . 1 . 2]" 1
203 1 13 ILE MD 1 14 ASN H . . 6.530 4.502 4.256 4.639 . 0 0 "[ . 1 . 2]" 1
204 1 13 ILE MD 1 43 ALA H . . 6.530 4.750 4.233 5.312 . 0 0 "[ . 1 . 2]" 1
205 1 13 ILE MD 1 43 ALA MB . . 6.100 2.750 2.174 3.420 . 0 0 "[ . 1 . 2]" 1
206 1 13 ILE MD 1 44 THR H . . 6.530 4.078 3.681 4.796 . 0 0 "[ . 1 . 2]" 1
207 1 13 ILE MD 1 87 TRP HD1 . . 6.530 3.606 2.866 4.430 . 0 0 "[ . 1 . 2]" 1
208 1 13 ILE MD 1 87 TRP HE1 . . 6.530 3.342 2.429 3.943 . 0 0 "[ . 1 . 2]" 1
209 1 13 ILE MD 1 118 ALA H . . 6.530 2.993 1.887 3.616 . 0 0 "[ . 1 . 2]" 1
210 1 13 ILE QG 1 34 THR MG . . 7.400 3.459 2.961 4.226 . 0 0 "[ . 1 . 2]" 1
211 1 13 ILE QG 1 87 TRP QB . . 7.260 3.695 3.084 4.140 . 0 0 "[ . 1 . 2]" 1
212 1 13 ILE QG 1 98 LEU QD . . 8.970 3.435 2.405 4.510 . 0 0 "[ . 1 . 2]" 1
213 1 13 ILE QG 1 116 LEU MD1 . . 6.940 4.231 3.767 4.830 . 0 0 "[ . 1 . 2]" 1
214 1 13 ILE QG 1 116 LEU QD . . 6.360 3.896 3.620 4.206 . 0 0 "[ . 1 . 2]" 1
215 1 13 ILE QG 1 116 LEU MD2 . . 6.940 4.626 4.423 4.992 . 0 0 "[ . 1 . 2]" 1
216 1 13 ILE QG 1 118 ALA H . . 6.380 3.139 2.536 4.469 . 0 0 "[ . 1 . 2]" 1
217 1 13 ILE MG 1 14 ASN H . . 5.910 2.526 1.964 2.791 . 0 0 "[ . 1 . 2]" 1
218 1 13 ILE MG 1 14 ASN HA . . 6.030 4.230 4.012 4.449 . 0 0 "[ . 1 . 2]" 1
219 1 13 ILE MG 1 14 ASN QB . . 7.250 2.677 2.404 3.099 . 0 0 "[ . 1 . 2]" 1
220 1 13 ILE MG 1 16 VAL MG1 . . 7.560 4.586 4.346 4.830 . 0 0 "[ . 1 . 2]" 1
221 1 13 ILE MG 1 16 VAL QG . . 6.830 4.265 4.131 4.384 . 0 0 "[ . 1 . 2]" 1
222 1 13 ILE MG 1 16 VAL MG2 . . 7.560 5.090 4.898 5.351 . 0 0 "[ . 1 . 2]" 1
223 1 13 ILE MG 1 41 PRO QG . . 6.690 2.241 1.827 3.316 . 0 0 "[ . 1 . 2]" 1
224 1 13 ILE MG 1 43 ALA MB . . 7.560 4.361 3.818 5.061 . 0 0 "[ . 1 . 2]" 1
225 1 13 ILE MG 1 87 TRP HE1 . . 6.530 4.923 4.042 5.190 . 0 0 "[ . 1 . 2]" 1
226 1 13 ILE MG 1 87 TRP HH2 . . 6.530 2.451 2.122 3.223 . 0 0 "[ . 1 . 2]" 1
227 1 13 ILE MG 1 87 TRP HZ2 . . 6.530 3.273 2.565 3.835 . 0 0 "[ . 1 . 2]" 1
228 1 13 ILE MG 1 87 TRP HZ3 . . 6.530 2.469 2.129 3.099 . 0 0 "[ . 1 . 2]" 1
229 1 14 ASN H 1 15 SER H . . 4.420 4.299 4.202 4.382 . 0 0 "[ . 1 . 2]" 1
230 1 14 ASN H 1 34 THR MG . . 5.410 3.702 3.460 4.264 . 0 0 "[ . 1 . 2]" 1
231 1 14 ASN H 1 116 LEU H . . 3.760 2.758 2.619 2.963 . 0 0 "[ . 1 . 2]" 1
232 1 14 ASN H 1 116 LEU QD . . 7.940 3.729 3.308 4.011 . 0 0 "[ . 1 . 2]" 1
233 1 14 ASN HA 1 15 SER H . . 3.110 2.372 2.223 2.629 . 0 0 "[ . 1 . 2]" 1
234 1 14 ASN HA 1 16 VAL QG . . 8.090 4.929 4.678 5.264 . 0 0 "[ . 1 . 2]" 1
235 1 14 ASN HA 1 34 THR MG . . 6.530 5.325 4.831 5.669 . 0 0 "[ . 1 . 2]" 1
236 1 14 ASN HA 1 41 PRO QB . . 5.820 4.533 4.014 4.945 . 0 0 "[ . 1 . 2]" 1
237 1 14 ASN HA 1 41 PRO QG . . 6.220 4.543 4.232 4.988 . 0 0 "[ . 1 . 2]" 1
238 1 14 ASN HA 1 116 LEU H . . 4.790 4.670 4.435 4.906 0.116 12 0 "[ . 1 . 2]" 1
239 1 14 ASN HA 1 116 LEU QB . . 6.380 5.281 4.808 5.784 . 0 0 "[ . 1 . 2]" 1
240 1 14 ASN QB 1 16 VAL QG . . 8.960 3.055 2.683 3.873 . 0 0 "[ . 1 . 2]" 1
241 1 14 ASN QB 1 37 ALA MB . . 7.400 4.837 4.440 5.448 . 0 0 "[ . 1 . 2]" 1
242 1 14 ASN QB 1 41 PRO QG . . 7.250 2.062 1.691 2.518 . 0 0 "[ . 1 . 2]" 1
243 1 14 ASN QB 1 116 LEU H . . 6.380 4.720 4.451 5.227 . 0 0 "[ . 1 . 2]" 1
244 1 14 ASN QB 1 116 LEU QD . . 8.970 4.119 3.315 5.023 . 0 0 "[ . 1 . 2]" 1
245 1 14 ASN O 1 116 LEU H . . 1.400 2.010 1.693 2.338 0.938 12 17 "[*** -***** +**** ***]" 1
246 1 14 ASN O 1 116 LEU N . . 2.400 2.981 2.671 3.309 0.909 12 14 "[*-* .** *1 +**** ***]" 1
247 1 15 SER H 1 16 VAL H . . 4.630 4.360 4.252 4.466 . 0 0 "[ . 1 . 2]" 1
248 1 15 SER H 1 16 VAL MG1 . . 6.530 4.174 3.844 4.521 . 0 0 "[ . 1 . 2]" 1
249 1 15 SER H 1 16 VAL MG2 . . 6.530 5.222 4.981 5.475 . 0 0 "[ . 1 . 2]" 1
250 1 15 SER H 1 113 VAL MG1 . . 6.530 5.293 4.784 5.731 . 0 0 "[ . 1 . 2]" 1
251 1 15 SER H 1 113 VAL MG2 . . 6.530 4.862 4.417 5.469 . 0 0 "[ . 1 . 2]" 1
252 1 15 SER H 1 115 HIS HA . . 4.600 4.471 4.240 4.581 . 0 0 "[ . 1 . 2]" 1
253 1 15 SER H 1 116 LEU H . . 5.500 4.980 4.734 5.208 . 0 0 "[ . 1 . 2]" 1
254 1 15 SER HA 1 16 VAL H . . 3.270 2.118 2.072 2.183 . 0 0 "[ . 1 . 2]" 1
255 1 15 SER HA 1 16 VAL MG1 . . 6.530 3.906 3.620 4.370 . 0 0 "[ . 1 . 2]" 1
256 1 15 SER HA 1 16 VAL QG . . 6.150 3.311 3.158 3.465 . 0 0 "[ . 1 . 2]" 1
257 1 15 SER HA 1 16 VAL MG2 . . 6.530 3.593 3.444 3.827 . 0 0 "[ . 1 . 2]" 1
258 1 15 SER HA 1 30 ALA MB . . 6.530 5.251 4.990 5.385 . 0 0 "[ . 1 . 2]" 1
259 1 15 SER HA 1 114 CYS H . . 5.130 4.518 4.276 4.916 . 0 0 "[ . 1 . 2]" 1
260 1 15 SER HA 1 115 HIS H . . 5.500 4.280 4.126 4.443 . 0 0 "[ . 1 . 2]" 1
261 1 15 SER HA 1 115 HIS HA . . 3.270 2.060 1.932 2.196 . 0 0 "[ . 1 . 2]" 1
262 1 15 SER HA 1 116 LEU H . . 3.920 3.514 3.233 3.808 . 0 0 "[ . 1 . 2]" 1
263 1 16 VAL H 1 16 VAL HB . . 3.790 3.782 3.697 3.831 0.041 12 0 "[ . 1 . 2]" 1
264 1 16 VAL H 1 17 GLU H . . 4.380 4.165 4.048 4.333 . 0 0 "[ . 1 . 2]" 1
265 1 16 VAL H 1 17 GLU HA . . 5.440 4.900 4.774 5.077 . 0 0 "[ . 1 . 2]" 1
266 1 16 VAL H 1 30 ALA MB . . 6.530 4.038 3.928 4.145 . 0 0 "[ . 1 . 2]" 1
267 1 16 VAL H 1 113 VAL HA . . 5.160 4.461 4.126 4.731 . 0 0 "[ . 1 . 2]" 1
268 1 16 VAL H 1 113 VAL MG1 . . 6.530 4.172 3.215 4.651 . 0 0 "[ . 1 . 2]" 1
269 1 16 VAL H 1 113 VAL QG . . 6.120 3.106 2.731 3.784 . 0 0 "[ . 1 . 2]" 1
270 1 16 VAL H 1 113 VAL MG2 . . 6.530 3.284 2.760 4.242 . 0 0 "[ . 1 . 2]" 1
271 1 16 VAL H 1 114 CYS H . . 3.890 3.180 2.822 3.584 . 0 0 "[ . 1 . 2]" 1
272 1 16 VAL H 1 114 CYS HA . . 5.380 4.745 4.440 5.020 . 0 0 "[ . 1 . 2]" 1
273 1 16 VAL H 1 114 CYS HB2 . . 5.500 4.919 4.076 5.480 . 0 0 "[ . 1 . 2]" 1
274 1 16 VAL H 1 114 CYS HB3 . . 5.500 3.975 3.129 5.507 0.007 3 0 "[ . 1 . 2]" 1
275 1 16 VAL H 1 115 HIS H . . 4.760 4.674 4.549 4.850 0.090 7 0 "[ . 1 . 2]" 1
276 1 16 VAL H 1 115 HIS HA . . 4.630 3.361 3.143 3.540 . 0 0 "[ . 1 . 2]" 1
277 1 16 VAL H 1 116 LEU H . . 5.000 4.595 4.338 4.764 . 0 0 "[ . 1 . 2]" 1
278 1 16 VAL H 1 116 LEU QD . . 8.100 3.382 3.097 3.811 . 0 0 "[ . 1 . 2]" 1
279 1 16 VAL HA 1 17 GLU H . . 3.240 2.094 2.040 2.150 . 0 0 "[ . 1 . 2]" 1
280 1 16 VAL HB 1 17 GLU H . . 4.570 3.630 3.313 3.766 . 0 0 "[ . 1 . 2]" 1
281 1 16 VAL HB 1 30 ALA HA . . 5.500 3.829 3.368 4.089 . 0 0 "[ . 1 . 2]" 1
282 1 16 VAL HB 1 114 CYS H . . 5.500 5.087 4.828 5.406 . 0 0 "[ . 1 . 2]" 1
283 1 16 VAL QG 1 18 MET H . . 7.470 4.903 4.281 5.370 . 0 0 "[ . 1 . 2]" 1
284 1 16 VAL QG 1 30 ALA HA . . 4.450 2.030 1.900 2.124 . 0 0 "[ . 1 . 2]" 1
285 1 16 VAL QG 1 34 THR H . . 6.070 4.154 3.811 4.394 . 0 0 "[ . 1 . 2]" 1
286 1 16 VAL QG 1 113 VAL QG . . 8.300 3.872 3.647 4.296 . 0 0 "[ . 1 . 2]" 1
287 1 16 VAL MG1 1 17 GLU H . . 6.530 3.887 3.641 4.025 . 0 0 "[ . 1 . 2]" 1
288 1 16 VAL MG1 1 30 ALA HA . . 4.820 3.898 3.683 4.124 . 0 0 "[ . 1 . 2]" 1
289 1 16 VAL MG1 1 33 GLU H . . 6.530 5.246 4.967 5.566 . 0 0 "[ . 1 . 2]" 1
290 1 16 VAL MG1 1 34 THR H . . 6.530 4.778 4.205 5.001 . 0 0 "[ . 1 . 2]" 1
291 1 16 VAL MG1 1 113 VAL MG1 . . 10.680 5.980 5.411 6.403 . 0 0 "[ . 1 . 2]" 1
292 1 16 VAL MG1 1 113 VAL MG2 . . 10.680 4.816 4.504 5.450 . 0 0 "[ . 1 . 2]" 1
293 1 16 VAL MG1 1 114 CYS H . . 6.530 5.312 5.037 5.592 . 0 0 "[ . 1 . 2]" 1
294 1 16 VAL MG1 1 116 LEU H . . 6.530 5.080 4.689 5.488 . 0 0 "[ . 1 . 2]" 1
295 1 16 VAL MG2 1 17 GLU H . . 6.530 4.255 4.087 4.332 . 0 0 "[ . 1 . 2]" 1
296 1 16 VAL MG2 1 30 ALA HA . . 4.820 2.037 1.906 2.133 . 0 0 "[ . 1 . 2]" 1
297 1 16 VAL MG2 1 33 GLU H . . 6.530 4.426 4.260 4.711 . 0 0 "[ . 1 . 2]" 1
298 1 16 VAL MG2 1 34 THR H . . 6.530 4.573 4.174 4.896 . 0 0 "[ . 1 . 2]" 1
299 1 16 VAL MG2 1 113 VAL MG1 . . 10.680 5.237 4.545 5.563 . 0 0 "[ . 1 . 2]" 1
300 1 16 VAL MG2 1 113 VAL MG2 . . 10.680 4.420 4.011 5.162 . 0 0 "[ . 1 . 2]" 1
301 1 16 VAL MG2 1 114 CYS H . . 6.530 3.380 3.003 3.671 . 0 0 "[ . 1 . 2]" 1
302 1 16 VAL MG2 1 116 LEU H . . 6.530 4.389 3.843 4.793 . 0 0 "[ . 1 . 2]" 1
303 1 17 GLU H 1 17 GLU HB2 . . 3.670 2.827 2.087 3.667 . 0 0 "[ . 1 . 2]" 1
304 1 17 GLU H 1 17 GLU HB3 . . 3.670 2.921 2.352 3.609 . 0 0 "[ . 1 . 2]" 1
305 1 17 GLU H 1 18 MET H . . 5.310 4.494 4.317 4.611 . 0 0 "[ . 1 . 2]" 1
306 1 17 GLU H 1 113 VAL HA . . 4.450 4.290 4.094 4.515 0.065 3 0 "[ . 1 . 2]" 1
307 1 17 GLU H 1 113 VAL MG1 . . 6.530 5.449 4.685 5.651 . 0 0 "[ . 1 . 2]" 1
308 1 17 GLU H 1 113 VAL QG . . 6.260 3.071 2.714 3.516 . 0 0 "[ . 1 . 2]" 1
309 1 17 GLU H 1 113 VAL MG2 . . 6.530 3.090 2.721 3.563 . 0 0 "[ . 1 . 2]" 1
310 1 17 GLU H 1 114 CYS H . . 5.340 4.627 4.348 4.955 . 0 0 "[ . 1 . 2]" 1
311 1 17 GLU HA 1 18 MET H . . 3.450 2.112 2.043 2.203 . 0 0 "[ . 1 . 2]" 1
312 1 17 GLU HA 1 19 GLU H . . 4.070 3.555 3.274 3.914 . 0 0 "[ . 1 . 2]" 1
313 1 17 GLU HA 1 113 VAL HA . . 2.400 2.124 2.006 2.310 . 0 0 "[ . 1 . 2]" 1
314 1 17 GLU HA 1 114 CYS H . . 4.010 3.334 2.876 3.656 . 0 0 "[ . 1 . 2]" 1
315 1 17 GLU QB 1 19 GLU H . . 5.080 3.326 2.728 4.310 . 0 0 "[ . 1 . 2]" 1
316 1 17 GLU QB 1 113 VAL QG . . 6.580 2.797 2.287 3.550 . 0 0 "[ . 1 . 2]" 1
317 1 17 GLU HB2 1 19 GLU H . . 5.500 4.107 2.757 5.335 . 0 0 "[ . 1 . 2]" 1
318 1 17 GLU HB3 1 19 GLU H . . 5.500 4.048 2.929 4.887 . 0 0 "[ . 1 . 2]" 1
319 1 17 GLU QG 1 18 MET H . . 6.190 3.606 2.342 4.614 . 0 0 "[ . 1 . 2]" 1
320 1 18 MET H 1 19 GLU H . . 3.860 2.316 2.063 2.653 . 0 0 "[ . 1 . 2]" 1
321 1 18 MET H 1 112 ASN H . . 4.720 4.065 3.557 4.926 0.206 8 0 "[ . 1 . 2]" 1
322 1 18 MET H 1 112 ASN HB2 . . 4.790 4.470 3.818 4.966 0.176 15 0 "[ . 1 . 2]" 1
323 1 18 MET H 1 112 ASN HB3 . . 4.790 4.740 4.002 5.186 0.396 3 0 "[ . 1 . 2]" 1
324 1 18 MET H 1 113 VAL HA . . 3.610 2.927 2.513 3.293 . 0 0 "[ . 1 . 2]" 1
325 1 18 MET H 1 113 VAL MG1 . . 6.530 5.483 5.193 5.688 . 0 0 "[ . 1 . 2]" 1
326 1 18 MET H 1 113 VAL QG . . 5.880 3.825 3.516 4.296 . 0 0 "[ . 1 . 2]" 1
327 1 18 MET H 1 113 VAL MG2 . . 6.530 3.908 3.576 4.452 . 0 0 "[ . 1 . 2]" 1
328 1 18 MET H 1 114 CYS H . . 4.380 3.531 2.501 3.984 . 0 0 "[ . 1 . 2]" 1
329 1 18 MET QB 1 21 LEU H . . 5.730 3.037 1.907 4.459 . 0 0 "[ . 1 . 2]" 1
330 1 18 MET QB 1 112 ASN H . . 6.380 4.310 3.435 5.435 . 0 0 "[ . 1 . 2]" 1
331 1 18 MET QB 1 113 VAL H . . 6.250 5.327 4.471 5.711 . 0 0 "[ . 1 . 2]" 1
332 1 18 MET QB 1 114 CYS H . . 6.220 3.737 3.028 4.618 . 0 0 "[ . 1 . 2]" 1
333 1 19 GLU H 1 20 SER H . . 4.820 3.220 2.385 4.740 . 0 0 "[ . 1 . 2]" 1
334 1 19 GLU H 1 21 LEU H . . 5.500 4.947 4.351 5.392 . 0 0 "[ . 1 . 2]" 1
335 1 19 GLU H 1 111 ASP HA . . 4.420 3.531 3.102 4.060 . 0 0 "[ . 1 . 2]" 1
336 1 19 GLU H 1 111 ASP HB2 . . 5.500 5.232 4.094 5.869 0.369 3 0 "[ . 1 . 2]" 1
337 1 19 GLU H 1 111 ASP HB3 . . 5.500 5.262 4.290 5.947 0.447 14 0 "[ . 1 . 2]" 1
338 1 19 GLU H 1 112 ASN H . . 3.360 3.230 2.652 3.772 0.412 20 0 "[ . 1 . 2]" 1
339 1 19 GLU H 1 112 ASN HB2 . . 5.500 4.748 4.039 5.722 0.222 13 0 "[ . 1 . 2]" 1
340 1 19 GLU H 1 112 ASN HB3 . . 5.500 5.412 4.865 5.925 0.425 7 0 "[ . 1 . 2]" 1
341 1 19 GLU H 1 113 VAL HA . . 5.040 4.774 4.158 5.217 0.177 20 0 "[ . 1 . 2]" 1
342 1 19 GLU H 1 113 VAL QG . . 8.090 4.980 4.616 5.306 . 0 0 "[ . 1 . 2]" 1
343 1 19 GLU HA 1 111 ASP HA . . 3.610 2.110 1.778 2.732 . 0 0 "[ . 1 . 2]" 1
344 1 19 GLU HA 1 112 ASN H . . 3.950 3.090 2.067 3.930 . 0 0 "[ . 1 . 2]" 1
345 1 19 GLU QB 1 21 LEU H . . 5.970 4.906 3.292 5.609 . 0 0 "[ . 1 . 2]" 1
346 1 19 GLU QG 1 20 SER H . . 6.380 4.123 2.197 4.786 . 0 0 "[ . 1 . 2]" 1
347 1 20 SER H 1 21 LEU H . . 3.730 3.131 2.318 3.621 . 0 0 "[ . 1 . 2]" 1
348 1 20 SER H 1 21 LEU HA . . 5.100 5.075 4.803 5.589 0.489 3 0 "[ . 1 . 2]" 1
349 1 20 SER H 1 21 LEU QD . . 7.630 4.679 3.800 5.705 . 0 0 "[ . 1 . 2]" 1
350 1 20 SER H 1 111 ASP HA . . 3.450 2.945 2.012 3.593 0.143 10 0 "[ . 1 . 2]" 1
351 1 20 SER H 1 112 ASN H . . 5.500 2.348 1.860 4.356 . 0 0 "[ . 1 . 2]" 1
352 1 20 SER HA 1 22 THR H . . 5.500 4.723 4.204 5.455 . 0 0 "[ . 1 . 2]" 1
353 1 20 SER HA 1 110 THR HA . . 4.720 4.754 4.420 5.144 0.424 10 0 "[ . 1 . 2]" 1
354 1 20 SER HA 1 112 ASN H . . 3.170 3.182 2.652 3.462 0.292 14 0 "[ . 1 . 2]" 1
355 1 21 LEU H 1 21 LEU HG . . 4.380 4.006 1.873 4.650 0.270 11 0 "[ . 1 . 2]" 1
356 1 21 LEU H 1 22 THR H . . 3.830 3.109 2.375 3.750 . 0 0 "[ . 1 . 2]" 1
357 1 21 LEU H 1 26 ALA MB . . 6.530 3.793 2.798 4.644 . 0 0 "[ . 1 . 2]" 1
358 1 21 LEU H 1 112 ASN H . . 5.500 4.372 3.633 4.996 . 0 0 "[ . 1 . 2]" 1
359 1 21 LEU H 1 112 ASN HB2 . . 5.500 3.868 2.956 5.782 0.282 13 0 "[ . 1 . 2]" 1
360 1 21 LEU H 1 112 ASN QB . . 5.320 3.568 2.895 4.531 . 0 0 "[ . 1 . 2]" 1
361 1 21 LEU H 1 112 ASN HB3 . . 5.500 4.783 4.024 5.451 . 0 0 "[ . 1 . 2]" 1
362 1 21 LEU QB 1 22 THR H . . 5.790 2.172 1.897 3.168 . 0 0 "[ . 1 . 2]" 1
363 1 21 LEU QB 1 26 ALA H . . 6.380 3.586 2.761 5.275 . 0 0 "[ . 1 . 2]" 1
364 1 21 LEU QD 1 22 THR H . . 6.950 3.167 1.255 3.962 . 0 0 "[ . 1 . 2]" 1
365 1 21 LEU QD 1 25 GLN H . . 7.630 4.315 3.120 5.670 . 0 0 "[ . 1 . 2]" 1
366 1 21 LEU QD 1 26 ALA H . . 7.630 3.105 1.603 4.435 . 0 0 "[ . 1 . 2]" 1
367 1 21 LEU QD 1 29 LYS H . . 7.630 4.401 3.518 5.769 . 0 0 "[ . 1 . 2]" 1
368 1 21 LEU HG 1 22 THR H . . 4.760 3.629 1.899 4.757 . 0 0 "[ . 1 . 2]" 1
369 1 21 LEU HG 1 26 ALA H . . 5.500 4.780 3.436 5.751 0.251 7 0 "[ . 1 . 2]" 1
370 1 22 THR H 1 23 GLY H . . 4.570 3.004 2.072 4.448 . 0 0 "[ . 1 . 2]" 1
371 1 22 THR H 1 23 GLY QA . . 6.350 3.988 3.626 5.337 . 0 0 "[ . 1 . 2]" 1
372 1 22 THR H 1 25 GLN QB . . 6.380 4.259 3.577 5.221 . 0 0 "[ . 1 . 2]" 1
373 1 22 THR H 1 25 GLN QG . . 6.380 5.387 2.851 5.973 . 0 0 "[ . 1 . 2]" 1
374 1 22 THR H 1 26 ALA H . . 5.000 4.020 3.373 4.636 . 0 0 "[ . 1 . 2]" 1
375 1 22 THR H 1 26 ALA MB . . 6.530 3.096 2.308 4.301 . 0 0 "[ . 1 . 2]" 1
376 1 22 THR HA 1 23 GLY H . . 3.550 3.455 2.310 3.626 0.076 3 0 "[ . 1 . 2]" 1
377 1 22 THR MG 1 23 GLY H . . 6.340 2.249 1.725 3.556 . 0 0 "[ . 1 . 2]" 1
378 1 22 THR MG 1 25 GLN H . . 6.530 4.011 2.290 5.722 . 0 0 "[ . 1 . 2]" 1
379 1 22 THR MG 1 26 ALA H . . 6.000 4.358 3.268 5.224 . 0 0 "[ . 1 . 2]" 1
380 1 23 GLY H 1 24 PRO QD . . 6.350 2.614 1.971 4.363 . 0 0 "[ . 1 . 2]" 1
381 1 23 GLY H 1 26 ALA H . . 3.480 3.193 2.587 3.736 0.256 13 0 "[ . 1 . 2]" 1
382 1 23 GLY H 1 26 ALA MB . . 6.530 3.716 2.575 4.164 . 0 0 "[ . 1 . 2]" 1
383 1 23 GLY H 1 77 PHE QB . . 6.380 5.127 2.845 5.609 . 0 0 "[ . 1 . 2]" 1
384 1 23 GLY H 1 102 VAL QG . . 7.620 3.707 1.927 4.220 . 0 0 "[ . 1 . 2]" 1
385 1 23 GLY QA 1 25 GLN H . . 5.420 3.684 3.182 3.990 . 0 0 "[ . 1 . 2]" 1
386 1 23 GLY QA 1 26 ALA H . . 6.100 3.836 3.491 4.102 . 0 0 "[ . 1 . 2]" 1
387 1 23 GLY QA 1 26 ALA MB . . 7.400 3.384 2.841 3.867 . 0 0 "[ . 1 . 2]" 1
388 1 23 GLY QA 1 27 ILE H . . 5.570 4.606 4.022 4.871 . 0 0 "[ . 1 . 2]" 1
389 1 23 GLY QA 1 27 ILE HG12 . . 6.380 5.310 4.457 5.711 . 0 0 "[ . 1 . 2]" 1
390 1 23 GLY QA 1 27 ILE HG13 . . 6.380 4.404 3.328 5.701 . 0 0 "[ . 1 . 2]" 1
391 1 23 GLY O 1 27 ILE H . . 1.400 2.687 2.363 2.940 1.540 8 20 [*-*****+************] 1
392 1 23 GLY O 1 27 ILE N . . 2.400 3.635 3.313 3.897 1.497 8 20 [*-*****+************] 1
393 1 24 PRO HA 1 25 GLN H . . 3.080 2.907 2.432 3.438 0.358 1 0 "[ . 1 . 2]" 1
394 1 24 PRO HA 1 26 ALA H . . 4.600 4.565 4.100 4.913 0.313 10 0 "[ . 1 . 2]" 1
395 1 24 PRO HA 1 27 ILE MG . . 5.780 4.759 4.364 4.904 . 0 0 "[ . 1 . 2]" 1
396 1 24 PRO HA 1 79 ASP QB . . 6.380 4.918 4.295 5.637 . 0 0 "[ . 1 . 2]" 1
397 1 24 PRO HA 1 102 VAL QG . . 7.620 4.846 4.098 5.648 . 0 0 "[ . 1 . 2]" 1
398 1 24 PRO QB 1 77 PHE QD . . 7.730 4.425 3.860 5.053 . 0 0 "[ . 1 . 2]" 1
399 1 24 PRO HB2 1 77 PHE QE . . 7.620 3.207 2.036 3.988 . 0 0 "[ . 1 . 2]" 1
400 1 24 PRO HB2 1 77 PHE HZ . . 5.500 3.406 2.221 3.774 . 0 0 "[ . 1 . 2]" 1
401 1 24 PRO HB3 1 77 PHE QE . . 7.620 4.675 3.692 5.400 . 0 0 "[ . 1 . 2]" 1
402 1 24 PRO HB3 1 77 PHE HZ . . 5.500 5.033 3.891 5.406 . 0 0 "[ . 1 . 2]" 1
403 1 24 PRO QD 1 26 ALA H . . 6.380 4.709 4.279 5.139 . 0 0 "[ . 1 . 2]" 1
404 1 24 PRO QD 1 77 PHE QD . . 8.070 3.530 2.361 4.022 . 0 0 "[ . 1 . 2]" 1
405 1 24 PRO QD 1 77 PHE QE . . 8.500 3.054 2.453 4.163 . 0 0 "[ . 1 . 2]" 1
406 1 24 PRO QD 1 77 PHE HZ . . 6.380 3.734 2.603 4.953 . 0 0 "[ . 1 . 2]" 1
407 1 24 PRO QG 1 77 PHE HZ . . 6.040 4.025 2.731 4.950 . 0 0 "[ . 1 . 2]" 1
408 1 25 GLN H 1 26 ALA H . . 3.670 2.117 1.940 2.496 . 0 0 "[ . 1 . 2]" 1
409 1 25 GLN H 1 26 ALA MB . . 6.530 3.683 3.433 4.052 . 0 0 "[ . 1 . 2]" 1
410 1 25 GLN H 1 27 ILE H . . 4.910 3.104 2.500 4.057 . 0 0 "[ . 1 . 2]" 1
411 1 25 GLN H 1 28 SER H . . 4.820 4.278 3.537 5.038 0.218 15 0 "[ . 1 . 2]" 1
412 1 25 GLN H 1 77 PHE QB . . 6.380 5.645 5.174 5.950 . 0 0 "[ . 1 . 2]" 1
413 1 25 GLN HA 1 27 ILE H . . 4.040 4.256 4.055 4.419 0.379 7 0 "[ . 1 . 2]" 1
414 1 25 GLN HA 1 28 SER H . . 3.860 3.348 3.055 3.669 . 0 0 "[ . 1 . 2]" 1
415 1 25 GLN HA 1 29 LYS H . . 3.950 3.888 3.707 4.062 0.112 14 0 "[ . 1 . 2]" 1
416 1 25 GLN QG 1 26 ALA H . . 6.380 3.808 2.014 4.461 . 0 0 "[ . 1 . 2]" 1
417 1 25 GLN QG 1 26 ALA HA . . 5.910 4.122 3.671 5.400 . 0 0 "[ . 1 . 2]" 1
418 1 25 GLN QG 1 28 SER QB . . 7.250 4.417 2.897 5.289 . 0 0 "[ . 1 . 2]" 1
419 1 25 GLN QG 1 29 LYS H . . 6.380 3.720 3.151 5.226 . 0 0 "[ . 1 . 2]" 1
420 1 26 ALA H 1 27 ILE H . . 3.300 2.692 2.505 2.979 . 0 0 "[ . 1 . 2]" 1
421 1 26 ALA H 1 28 SER H . . 4.600 4.139 3.933 4.311 . 0 0 "[ . 1 . 2]" 1
422 1 26 ALA H 1 29 LYS H . . 5.190 4.678 4.562 4.787 . 0 0 "[ . 1 . 2]" 1
423 1 26 ALA H 1 102 VAL QG . . 7.620 3.589 3.219 4.188 . 0 0 "[ . 1 . 2]" 1
424 1 26 ALA HA 1 28 SER H . . 3.980 4.029 3.766 4.172 0.192 18 0 "[ . 1 . 2]" 1
425 1 26 ALA HA 1 29 LYS H . . 3.950 3.349 3.114 3.610 . 0 0 "[ . 1 . 2]" 1
426 1 26 ALA HA 1 30 ALA H . . 4.720 3.604 2.835 4.259 . 0 0 "[ . 1 . 2]" 1
427 1 26 ALA MB 1 28 SER H . . 6.530 4.495 4.319 4.658 . 0 0 "[ . 1 . 2]" 1
428 1 26 ALA MB 1 29 LYS H . . 6.530 4.672 4.488 4.841 . 0 0 "[ . 1 . 2]" 1
429 1 26 ALA MB 1 30 ALA H . . 6.530 4.386 3.681 5.012 . 0 0 "[ . 1 . 2]" 1
430 1 26 ALA MB 1 114 CYS H . . 6.530 4.672 3.925 5.213 . 0 0 "[ . 1 . 2]" 1
431 1 26 ALA O 1 30 ALA H . . 1.400 1.935 1.651 2.551 1.151 20 9 "[** * - **.* * +]" 1
432 1 26 ALA O 1 30 ALA N . . 2.400 2.769 2.620 3.179 0.779 20 4 "[ * . 1 .* - +]" 1
433 1 27 ILE H 1 27 ILE HB . . 3.450 2.538 2.244 2.686 . 0 0 "[ . 1 . 2]" 1
434 1 27 ILE H 1 27 ILE HG12 . . 5.500 3.319 1.815 4.061 . 0 0 "[ . 1 . 2]" 1
435 1 27 ILE H 1 27 ILE QG . . 5.050 2.018 1.807 3.206 . 0 0 "[ . 1 . 2]" 1
436 1 27 ILE H 1 27 ILE HG13 . . 5.500 2.191 1.815 3.540 . 0 0 "[ . 1 . 2]" 1
437 1 27 ILE H 1 28 SER H . . 3.480 2.734 2.512 2.895 . 0 0 "[ . 1 . 2]" 1
438 1 27 ILE H 1 28 SER QB . . 5.970 4.847 4.337 5.210 . 0 0 "[ . 1 . 2]" 1
439 1 27 ILE H 1 29 LYS H . . 4.910 4.353 4.150 4.609 . 0 0 "[ . 1 . 2]" 1
440 1 27 ILE H 1 30 ALA H . . 4.690 4.679 4.502 4.871 0.181 14 0 "[ . 1 . 2]" 1
441 1 27 ILE H 1 30 ALA MB . . 5.780 4.453 4.297 4.560 . 0 0 "[ . 1 . 2]" 1
442 1 27 ILE H 1 102 VAL QG . . 7.620 3.511 2.959 4.387 . 0 0 "[ . 1 . 2]" 1
443 1 27 ILE HA 1 27 ILE QG . . 3.920 2.535 2.027 2.980 . 0 0 "[ . 1 . 2]" 1
444 1 27 ILE HA 1 29 LYS H . . 4.910 5.081 4.791 5.214 0.304 8 0 "[ . 1 . 2]" 1
445 1 27 ILE HA 1 30 ALA H . . 3.950 3.930 3.696 4.300 0.350 3 0 "[ . 1 . 2]" 1
446 1 27 ILE HA 1 31 VAL H . . 4.320 3.861 3.450 4.359 0.039 19 0 "[ . 1 . 2]" 1
447 1 27 ILE HA 1 114 CYS HB2 . . 5.500 4.703 3.701 5.445 . 0 0 "[ . 1 . 2]" 1
448 1 27 ILE HA 1 114 CYS QB . . 5.220 4.096 3.380 4.650 . 0 0 "[ . 1 . 2]" 1
449 1 27 ILE HA 1 114 CYS HB3 . . 5.500 4.543 3.907 5.172 . 0 0 "[ . 1 . 2]" 1
450 1 27 ILE HB 1 28 SER H . . 3.360 3.013 2.735 3.154 . 0 0 "[ . 1 . 2]" 1
451 1 27 ILE HB 1 81 ASP HA . . 3.980 3.899 3.638 4.148 0.168 18 0 "[ . 1 . 2]" 1
452 1 27 ILE MD 1 28 SER H . . 6.530 4.541 4.277 4.942 . 0 0 "[ . 1 . 2]" 1
453 1 27 ILE QG 1 28 SER H . . 6.380 4.203 3.998 4.727 . 0 0 "[ . 1 . 2]" 1
454 1 27 ILE QG 1 116 LEU QD . . 7.240 4.656 4.298 4.892 . 0 0 "[ . 1 . 2]" 1
455 1 27 ILE HG12 1 77 PHE QD . . 7.620 4.138 3.054 4.863 . 0 0 "[ . 1 . 2]" 1
456 1 27 ILE HG12 1 77 PHE QE . . 7.620 5.751 4.556 6.461 . 0 0 "[ . 1 . 2]" 1
457 1 27 ILE HG13 1 77 PHE QD . . 7.620 4.220 3.159 5.136 . 0 0 "[ . 1 . 2]" 1
458 1 27 ILE HG13 1 77 PHE QE . . 7.620 5.641 4.152 6.539 . 0 0 "[ . 1 . 2]" 1
459 1 27 ILE MG 1 28 SER H . . 5.810 3.808 3.440 3.992 . 0 0 "[ . 1 . 2]" 1
460 1 27 ILE O 1 31 VAL H . . 1.400 1.933 1.629 2.686 1.286 3 9 "[ + .- **1** * * *2]" 1
461 1 27 ILE O 1 31 VAL N . . 2.400 2.893 2.627 3.614 1.214 3 9 "[ + .* **1-* * * *2]" 1
462 1 28 SER H 1 29 LYS H . . 3.450 2.386 2.256 2.528 . 0 0 "[ . 1 . 2]" 1
463 1 28 SER H 1 30 ALA MB . . 6.530 4.396 4.274 4.562 . 0 0 "[ . 1 . 2]" 1
464 1 28 SER H 1 31 VAL H . . 4.290 4.402 4.310 4.549 0.259 4 0 "[ . 1 . 2]" 1
465 1 28 SER H 1 31 VAL QG . . 7.620 4.621 4.408 4.866 . 0 0 "[ . 1 . 2]" 1
466 1 28 SER HA 1 29 LYS H . . 3.580 3.644 3.622 3.671 0.091 9 0 "[ . 1 . 2]" 1
467 1 28 SER HA 1 30 ALA H . . 4.600 4.132 3.693 4.665 0.065 11 0 "[ . 1 . 2]" 1
468 1 28 SER HA 1 31 VAL H . . 4.170 3.321 2.988 3.602 . 0 0 "[ . 1 . 2]" 1
469 1 28 SER HA 1 31 VAL HB . . 2.400 2.515 2.211 2.866 0.466 19 0 "[ . 1 . 2]" 1
470 1 28 SER HA 1 32 ALA H . . 3.390 3.491 3.358 3.736 0.346 11 0 "[ . 1 . 2]" 1
471 1 28 SER HA 1 83 GLN H . . 4.600 4.323 3.712 4.634 0.034 11 0 "[ . 1 . 2]" 1
472 1 28 SER HA 1 83 GLN QB . . 5.940 3.979 2.810 4.740 . 0 0 "[ . 1 . 2]" 1
473 1 28 SER HA 1 83 GLN QG . . 5.140 3.747 2.514 4.478 . 0 0 "[ . 1 . 2]" 1
474 1 28 SER QB 1 29 LYS QB . . 6.480 4.296 3.663 4.797 . 0 0 "[ . 1 . 2]" 1
475 1 28 SER QB 1 83 GLN H . . 6.380 3.995 3.040 5.085 . 0 0 "[ . 1 . 2]" 1
476 1 29 LYS H 1 30 ALA H . . 3.300 2.814 2.660 2.985 . 0 0 "[ . 1 . 2]" 1
477 1 29 LYS H 1 30 ALA MB . . 5.750 4.381 4.170 4.524 . 0 0 "[ . 1 . 2]" 1
478 1 29 LYS H 1 31 VAL H . . 4.600 4.495 4.275 4.689 0.089 4 0 "[ . 1 . 2]" 1
479 1 29 LYS HA 1 31 VAL H . . 5.500 4.998 4.682 5.272 . 0 0 "[ . 1 . 2]" 1
480 1 29 LYS HA 1 32 ALA H . . 4.350 3.894 3.735 4.109 . 0 0 "[ . 1 . 2]" 1
481 1 29 LYS HA 1 32 ALA MB . . 4.260 2.850 2.541 3.289 . 0 0 "[ . 1 . 2]" 1
482 1 29 LYS HA 1 33 GLU H . . 5.000 4.261 3.898 4.537 . 0 0 "[ . 1 . 2]" 1
483 1 29 LYS QB 1 30 ALA H . . 4.450 2.994 2.633 3.361 . 0 0 "[ . 1 . 2]" 1
484 1 29 LYS QG 1 30 ALA H . . 6.380 4.336 3.937 4.671 . 0 0 "[ . 1 . 2]" 1
485 1 29 LYS QG 1 30 ALA HA . . 6.280 4.858 4.291 5.609 . 0 0 "[ . 1 . 2]" 1
486 1 29 LYS QG 1 33 GLU H . . 6.380 5.118 4.309 5.656 . 0 0 "[ . 1 . 2]" 1
487 1 29 LYS O 1 33 GLU H . . 1.400 2.878 1.818 3.564 2.164 16 19 "[**-******* ****+****]" 1
488 1 29 LYS O 1 33 GLU N . . 2.400 3.515 2.680 4.116 1.716 16 18 "[** ******* ****+-***]" 1
489 1 30 ALA H 1 31 VAL H . . 3.480 2.604 2.250 2.909 . 0 0 "[ . 1 . 2]" 1
490 1 30 ALA H 1 31 VAL HB . . 5.100 4.498 4.205 4.788 . 0 0 "[ . 1 . 2]" 1
491 1 30 ALA H 1 32 ALA H . . 4.510 3.822 3.213 4.274 . 0 0 "[ . 1 . 2]" 1
492 1 30 ALA H 1 32 ALA MB . . 5.850 4.599 4.282 4.822 . 0 0 "[ . 1 . 2]" 1
493 1 30 ALA H 1 114 CYS HB2 . . 5.500 5.157 4.505 5.560 0.060 14 0 "[ . 1 . 2]" 1
494 1 30 ALA H 1 114 CYS HB3 . . 5.500 4.603 4.117 5.371 . 0 0 "[ . 1 . 2]" 1
495 1 30 ALA H 1 116 LEU MD1 . . 6.530 4.672 4.197 5.252 . 0 0 "[ . 1 . 2]" 1
496 1 30 ALA H 1 116 LEU MD2 . . 6.530 4.527 4.113 4.718 . 0 0 "[ . 1 . 2]" 1
497 1 30 ALA HA 1 32 ALA H . . 4.820 4.444 4.286 4.741 . 0 0 "[ . 1 . 2]" 1
498 1 30 ALA HA 1 33 GLU H . . 4.380 3.364 3.182 3.627 . 0 0 "[ . 1 . 2]" 1
499 1 30 ALA HA 1 34 THR H . . 5.000 4.434 4.040 4.828 . 0 0 "[ . 1 . 2]" 1
500 1 30 ALA HA 1 116 LEU QD . . 7.420 3.220 3.010 3.388 . 0 0 "[ . 1 . 2]" 1
501 1 30 ALA MB 1 32 ALA H . . 6.530 4.336 4.187 4.551 . 0 0 "[ . 1 . 2]" 1
502 1 30 ALA MB 1 33 GLU H . . 6.530 4.395 4.222 4.546 . 0 0 "[ . 1 . 2]" 1
503 1 30 ALA MB 1 34 THR H . . 6.530 4.922 4.653 5.333 . 0 0 "[ . 1 . 2]" 1
504 1 30 ALA MB 1 114 CYS H . . 6.530 4.126 3.807 4.622 . 0 0 "[ . 1 . 2]" 1
505 1 30 ALA MB 1 115 HIS H . . 6.530 4.963 4.627 5.252 . 0 0 "[ . 1 . 2]" 1
506 1 30 ALA MB 1 116 LEU QD . . 8.510 1.563 1.328 1.975 . 0 0 "[ . 1 . 2]" 1
507 1 31 VAL H 1 31 VAL HB . . 3.300 2.271 1.954 2.561 . 0 0 "[ . 1 . 2]" 1
508 1 31 VAL H 1 32 ALA H . . 3.330 2.729 2.544 2.979 . 0 0 "[ . 1 . 2]" 1
509 1 31 VAL H 1 32 ALA MB . . 6.530 4.385 4.181 4.562 . 0 0 "[ . 1 . 2]" 1
510 1 31 VAL H 1 33 GLU H . . 3.860 4.018 3.843 4.297 0.437 8 0 "[ . 1 . 2]" 1
511 1 31 VAL H 1 34 THR H . . 5.250 4.873 4.566 5.347 0.097 14 0 "[ . 1 . 2]" 1
512 1 31 VAL H 1 116 LEU QD . . 7.970 2.889 2.660 3.188 . 0 0 "[ . 1 . 2]" 1
513 1 31 VAL HA 1 33 GLU H . . 4.970 4.237 3.911 4.607 . 0 0 "[ . 1 . 2]" 1
514 1 31 VAL HA 1 34 THR H . . 4.010 3.582 3.270 4.024 0.014 14 0 "[ . 1 . 2]" 1
515 1 31 VAL HA 1 35 LEU H . . 4.600 3.430 2.898 4.003 . 0 0 "[ . 1 . 2]" 1
516 1 31 VAL HB 1 32 ALA H . . 4.140 2.958 2.718 3.549 . 0 0 "[ . 1 . 2]" 1
517 1 31 VAL QG 1 32 ALA H . . 7.620 3.094 2.468 3.414 . 0 0 "[ . 1 . 2]" 1
518 1 31 VAL QG 1 33 GLU H . . 7.620 4.498 4.296 4.672 . 0 0 "[ . 1 . 2]" 1
519 1 31 VAL QG 1 34 THR H . . 7.620 4.338 4.097 4.544 . 0 0 "[ . 1 . 2]" 1
520 1 31 VAL QG 1 35 LEU H . . 7.620 3.710 3.310 3.961 . 0 0 "[ . 1 . 2]" 1
521 1 31 VAL QG 1 81 ASP H . . 7.620 3.467 2.403 4.284 . 0 0 "[ . 1 . 2]" 1
522 1 31 VAL QG 1 83 GLN H . . 7.620 3.828 2.970 4.516 . 0 0 "[ . 1 . 2]" 1
523 1 31 VAL QG 1 85 ARG H . . 7.620 3.708 3.058 4.056 . 0 0 "[ . 1 . 2]" 1
524 1 31 VAL QG 1 86 LYS H . . 7.620 4.691 3.989 5.572 . 0 0 "[ . 1 . 2]" 1
525 1 31 VAL QG 1 98 LEU H . . 7.620 4.759 4.254 5.477 . 0 0 "[ . 1 . 2]" 1
526 1 31 VAL QG 1 117 PHE H . . 7.620 4.743 4.470 5.389 . 0 0 "[ . 1 . 2]" 1
527 1 32 ALA H 1 33 GLU H . . 3.920 2.539 2.422 2.763 . 0 0 "[ . 1 . 2]" 1
528 1 32 ALA H 1 33 GLU HG2 . . 5.190 5.035 4.623 5.444 0.254 8 0 "[ . 1 . 2]" 1
529 1 32 ALA H 1 33 GLU QG . . 4.600 4.425 4.295 4.566 . 0 0 "[ . 1 . 2]" 1
530 1 32 ALA H 1 33 GLU HG3 . . 5.190 4.973 4.670 5.501 0.311 3 0 "[ . 1 . 2]" 1
531 1 32 ALA H 1 34 THR H . . 4.660 3.930 3.726 4.144 . 0 0 "[ . 1 . 2]" 1
532 1 32 ALA H 1 35 LEU QD . . 7.450 4.715 4.139 5.505 . 0 0 "[ . 1 . 2]" 1
533 1 32 ALA H 1 116 LEU MD1 . . 6.530 5.078 4.872 5.458 . 0 0 "[ . 1 . 2]" 1
534 1 32 ALA H 1 116 LEU QD . . 6.010 4.633 4.520 4.797 . 0 0 "[ . 1 . 2]" 1
535 1 32 ALA H 1 116 LEU MD2 . . 6.530 5.379 5.002 5.776 . 0 0 "[ . 1 . 2]" 1
536 1 32 ALA HA 1 34 THR H . . 5.100 3.975 3.716 4.222 . 0 0 "[ . 1 . 2]" 1
537 1 32 ALA HA 1 35 LEU H . . 5.070 3.981 3.246 4.404 . 0 0 "[ . 1 . 2]" 1
538 1 32 ALA HA 1 36 VAL H . . 5.500 4.189 3.504 4.653 . 0 0 "[ . 1 . 2]" 1
539 1 32 ALA HA 1 85 ARG QD . . 6.380 4.573 3.045 5.568 . 0 0 "[ . 1 . 2]" 1
540 1 32 ALA MB 1 34 THR H . . 6.530 4.460 4.307 4.619 . 0 0 "[ . 1 . 2]" 1
541 1 32 ALA MB 1 35 LEU H . . 6.530 5.093 4.575 5.344 . 0 0 "[ . 1 . 2]" 1
542 1 32 ALA MB 1 36 VAL H . . 6.530 5.210 4.466 5.559 . 0 0 "[ . 1 . 2]" 1
543 1 33 GLU H 1 33 GLU HG2 . . 4.510 3.218 2.749 3.511 . 0 0 "[ . 1 . 2]" 1
544 1 33 GLU H 1 33 GLU HG3 . . 4.510 3.171 2.548 3.845 . 0 0 "[ . 1 . 2]" 1
545 1 33 GLU H 1 34 THR H . . 3.580 2.366 2.132 2.756 . 0 0 "[ . 1 . 2]" 1
546 1 33 GLU H 1 34 THR HB . . 4.880 4.185 3.769 5.446 0.566 11 1 "[ . 1+ . 2]" 1
547 1 33 GLU H 1 36 VAL QG . . 7.620 4.807 3.945 5.569 . 0 0 "[ . 1 . 2]" 1
548 1 33 GLU H 1 116 LEU MD1 . . 6.530 5.456 4.908 5.751 . 0 0 "[ . 1 . 2]" 1
549 1 33 GLU H 1 116 LEU MD2 . . 6.530 5.091 4.816 5.689 . 0 0 "[ . 1 . 2]" 1
550 1 33 GLU HA 1 35 LEU H . . 4.850 4.942 4.546 5.251 0.401 3 0 "[ . 1 . 2]" 1
551 1 33 GLU HA 1 36 VAL H . . 4.110 4.188 3.994 4.519 0.409 4 0 "[ . 1 . 2]" 1
552 1 33 GLU HA 1 37 ALA H . . 4.350 4.360 3.859 4.706 0.356 16 0 "[ . 1 . 2]" 1
553 1 33 GLU HG2 1 34 THR H . . 5.500 4.718 4.425 4.861 . 0 0 "[ . 1 . 2]" 1
554 1 33 GLU HG3 1 34 THR H . . 5.500 4.567 2.865 5.636 0.136 3 0 "[ . 1 . 2]" 1
555 1 34 THR H 1 34 THR HB . . 3.360 2.514 2.187 2.841 . 0 0 "[ . 1 . 2]" 1
556 1 34 THR H 1 35 LEU H . . 3.480 2.242 2.114 2.487 . 0 0 "[ . 1 . 2]" 1
557 1 34 THR H 1 35 LEU HB2 . . 5.280 4.266 3.728 5.633 0.353 6 0 "[ . 1 . 2]" 1
558 1 34 THR H 1 35 LEU QB . . 4.580 3.963 3.649 4.262 . 0 0 "[ . 1 . 2]" 1
559 1 34 THR H 1 35 LEU HB3 . . 5.280 5.209 3.834 5.785 0.505 8 1 "[ . + 1 . 2]" 1
560 1 34 THR H 1 35 LEU MD1 . . 6.530 4.898 3.682 5.998 . 0 0 "[ . 1 . 2]" 1
561 1 34 THR H 1 35 LEU MD2 . . 6.530 5.253 3.840 6.131 . 0 0 "[ . 1 . 2]" 1
562 1 34 THR H 1 36 VAL H . . 4.630 3.388 2.890 3.923 . 0 0 "[ . 1 . 2]" 1
563 1 34 THR H 1 36 VAL QG . . 7.620 4.260 3.432 5.074 . 0 0 "[ . 1 . 2]" 1
564 1 34 THR H 1 37 ALA MB . . 6.530 3.951 3.639 4.699 . 0 0 "[ . 1 . 2]" 1
565 1 34 THR H 1 116 LEU MD1 . . 6.530 5.048 4.100 5.545 . 0 0 "[ . 1 . 2]" 1
566 1 34 THR H 1 116 LEU MD2 . . 6.530 4.672 4.020 5.286 . 0 0 "[ . 1 . 2]" 1
567 1 34 THR HA 1 37 ALA HA . . 3.890 3.992 3.172 4.171 0.281 5 0 "[ . 1 . 2]" 1
568 1 34 THR HB 1 35 LEU H . . 4.320 2.876 2.681 3.205 . 0 0 "[ . 1 . 2]" 1
569 1 34 THR MG 1 35 LEU H . . 6.530 3.433 3.017 3.983 . 0 0 "[ . 1 . 2]" 1
570 1 34 THR MG 1 36 VAL H . . 6.340 4.938 4.692 5.243 . 0 0 "[ . 1 . 2]" 1
571 1 34 THR MG 1 37 ALA H . . 6.530 4.363 3.924 4.810 . 0 0 "[ . 1 . 2]" 1
572 1 34 THR MG 1 87 TRP QB . . 7.410 5.307 4.962 5.771 . 0 0 "[ . 1 . 2]" 1
573 1 34 THR MG 1 87 TRP HZ3 . . 5.410 1.863 1.561 2.306 . 0 0 "[ . 1 . 2]" 1
574 1 35 LEU H 1 35 LEU QB . . 3.640 2.139 1.918 2.434 . 0 0 "[ . 1 . 2]" 1
575 1 35 LEU H 1 35 LEU HG . . 5.500 3.672 2.237 4.485 . 0 0 "[ . 1 . 2]" 1
576 1 35 LEU H 1 36 VAL H . . 3.360 2.607 2.501 2.802 . 0 0 "[ . 1 . 2]" 1
577 1 35 LEU H 1 36 VAL QG . . 7.620 3.943 3.587 4.181 . 0 0 "[ . 1 . 2]" 1
578 1 35 LEU H 1 37 ALA H . . 4.570 3.766 3.642 3.925 . 0 0 "[ . 1 . 2]" 1
579 1 35 LEU H 1 37 ALA MB . . 6.530 4.430 4.197 4.680 . 0 0 "[ . 1 . 2]" 1
580 1 35 LEU H 1 98 LEU QD . . 8.100 4.411 3.459 5.499 . 0 0 "[ . 1 . 2]" 1
581 1 35 LEU H 1 116 LEU MD1 . . 6.530 5.171 4.578 5.734 . 0 0 "[ . 1 . 2]" 1
582 1 35 LEU H 1 116 LEU MD2 . . 6.530 5.310 5.010 5.611 . 0 0 "[ . 1 . 2]" 1
583 1 35 LEU HA 1 37 ALA H . . 4.480 4.160 3.873 4.830 0.350 9 0 "[ . 1 . 2]" 1
584 1 35 LEU QB 1 36 VAL H . . 4.320 2.867 2.293 3.448 . 0 0 "[ . 1 . 2]" 1
585 1 35 LEU HB2 1 36 VAL H . . 5.040 3.305 2.713 4.385 . 0 0 "[ . 1 . 2]" 1
586 1 35 LEU HB3 1 36 VAL H . . 5.040 3.392 2.321 3.813 . 0 0 "[ . 1 . 2]" 1
587 1 35 LEU QD 1 36 VAL H . . 5.950 3.929 3.247 4.264 . 0 0 "[ . 1 . 2]" 1
588 1 35 LEU QD 1 87 TRP QB . . 7.100 3.281 1.690 4.727 . 0 0 "[ . 1 . 2]" 1
589 1 35 LEU QD 1 87 TRP HZ3 . . 7.380 3.242 2.185 4.903 . 0 0 "[ . 1 . 2]" 1
590 1 35 LEU MD1 1 36 VAL H . . 6.280 4.421 3.787 4.843 . 0 0 "[ . 1 . 2]" 1
591 1 35 LEU MD1 1 86 LYS H . . 6.530 3.680 2.120 5.028 . 0 0 "[ . 1 . 2]" 1
592 1 35 LEU MD1 1 87 TRP H . . 6.530 4.461 3.644 5.248 . 0 0 "[ . 1 . 2]" 1
593 1 35 LEU MD1 1 87 TRP HA . . 6.530 3.396 1.773 4.785 . 0 0 "[ . 1 . 2]" 1
594 1 35 LEU MD1 1 87 TRP HB2 . . 8.280 4.024 1.735 6.125 . 0 0 "[ . 1 . 2]" 1
595 1 35 LEU MD1 1 87 TRP HB3 . . 8.280 5.084 3.349 6.679 . 0 0 "[ . 1 . 2]" 1
596 1 35 LEU MD2 1 36 VAL H . . 6.280 4.520 3.319 5.086 . 0 0 "[ . 1 . 2]" 1
597 1 35 LEU MD2 1 86 LYS H . . 6.530 3.363 2.234 4.541 . 0 0 "[ . 1 . 2]" 1
598 1 35 LEU MD2 1 87 TRP H . . 6.530 4.394 3.368 5.404 . 0 0 "[ . 1 . 2]" 1
599 1 35 LEU MD2 1 87 TRP HA . . 6.530 3.248 1.822 4.652 . 0 0 "[ . 1 . 2]" 1
600 1 35 LEU MD2 1 87 TRP HB2 . . 8.280 4.119 2.424 6.074 . 0 0 "[ . 1 . 2]" 1
601 1 35 LEU MD2 1 87 TRP HB3 . . 8.280 5.111 3.462 6.567 . 0 0 "[ . 1 . 2]" 1
602 1 35 LEU HG 1 36 VAL H . . 5.500 4.783 2.815 5.462 . 0 0 "[ . 1 . 2]" 1
603 1 36 VAL H 1 36 VAL HB . . 3.830 2.926 2.451 3.760 . 0 0 "[ . 1 . 2]" 1
604 1 36 VAL H 1 37 ALA H . . 2.960 2.337 2.173 2.598 . 0 0 "[ . 1 . 2]" 1
605 1 36 VAL H 1 37 ALA HA . . 5.280 4.586 4.416 4.814 . 0 0 "[ . 1 . 2]" 1
606 1 36 VAL H 1 37 ALA MB . . 6.530 4.006 3.834 4.211 . 0 0 "[ . 1 . 2]" 1
607 1 36 VAL HA 1 37 ALA H . . 3.610 3.393 3.202 3.591 . 0 0 "[ . 1 . 2]" 1
608 1 36 VAL HB 1 37 ALA H . . 4.290 4.088 3.661 4.522 0.232 8 0 "[ . 1 . 2]" 1
609 1 37 ALA H 1 38 ASP H . . 4.540 4.430 4.202 4.655 0.115 9 0 "[ . 1 . 2]" 1
610 1 37 ALA HA 1 38 ASP H . . 2.740 2.141 2.022 2.910 0.170 9 0 "[ . 1 . 2]" 1
611 1 38 ASP H 1 38 ASP HB2 . . 3.550 3.132 2.340 3.858 0.308 9 0 "[ . 1 . 2]" 1
612 1 38 ASP H 1 38 ASP HB3 . . 3.550 2.961 2.477 3.528 . 0 0 "[ . 1 . 2]" 1
613 1 38 ASP HA 1 40 THR H . . 3.330 3.058 2.919 3.368 0.038 9 0 "[ . 1 . 2]" 1
614 1 39 PRO HA 1 40 THR H . . 2.930 2.223 2.191 2.279 . 0 0 "[ . 1 . 2]" 1
615 1 39 PRO QB 1 40 THR H . . 3.670 2.935 2.784 2.987 . 0 0 "[ . 1 . 2]" 1
616 1 39 PRO HB2 1 40 THR H . . 4.010 3.754 3.668 3.804 . 0 0 "[ . 1 . 2]" 1
617 1 39 PRO HB3 1 40 THR H . . 4.010 3.065 2.884 3.124 . 0 0 "[ . 1 . 2]" 1
618 1 40 THR H 1 40 THR HB . . 3.020 2.301 2.070 2.600 . 0 0 "[ . 1 . 2]" 1
619 1 40 THR MG 1 42 THR H . . 6.530 4.913 4.744 5.172 . 0 0 "[ . 1 . 2]" 1
620 1 40 THR MG 1 43 ALA H . . 6.530 5.094 4.763 5.347 . 0 0 "[ . 1 . 2]" 1
621 1 40 THR MG 1 87 TRP HE1 . . 6.530 4.839 3.366 5.503 . 0 0 "[ . 1 . 2]" 1
622 1 40 THR MG 1 87 TRP HZ2 . . 5.130 3.139 2.064 3.962 . 0 0 "[ . 1 . 2]" 1
623 1 40 THR MG 1 87 TRP HZ3 . . 6.530 4.749 3.607 5.626 . 0 0 "[ . 1 . 2]" 1
624 1 41 PRO QB 1 87 TRP HH2 . . 4.870 4.435 4.345 4.521 . 0 0 "[ . 1 . 2]" 1
625 1 41 PRO HB2 1 87 TRP HH2 . . 5.500 5.396 5.318 5.476 . 0 0 "[ . 1 . 2]" 1
626 1 41 PRO HB3 1 87 TRP HH2 . . 5.500 4.716 4.591 4.849 . 0 0 "[ . 1 . 2]" 1
627 1 41 PRO QD 1 87 TRP HH2 . . 6.350 2.616 2.339 2.869 . 0 0 "[ . 1 . 2]" 1
628 1 42 THR H 1 42 THR HB . . 3.330 2.955 2.351 3.651 0.321 2 0 "[ . 1 . 2]" 1
629 1 42 THR HA 1 43 ALA H . . 3.020 2.147 1.979 2.255 . 0 0 "[ . 1 . 2]" 1
630 1 42 THR HA 1 87 TRP HE1 . . 5.500 5.410 4.790 5.800 0.300 4 0 "[ . 1 . 2]" 1
631 1 42 THR HB 1 43 ALA H . . 4.140 3.713 2.782 4.096 . 0 0 "[ . 1 . 2]" 1
632 1 42 THR MG 1 43 ALA H . . 6.030 3.475 2.341 4.175 . 0 0 "[ . 1 . 2]" 1
633 1 43 ALA H 1 87 TRP HE1 . . 5.500 4.184 3.496 5.449 . 0 0 "[ . 1 . 2]" 1
634 1 43 ALA HA 1 44 THR H . . 3.480 2.175 2.096 2.315 . 0 0 "[ . 1 . 2]" 1
635 1 43 ALA MB 1 45 ILE H . . 6.530 5.526 5.417 5.693 . 0 0 "[ . 1 . 2]" 1
636 1 43 ALA MB 1 87 TRP HE1 . . 6.530 2.126 1.453 3.470 . 0 0 "[ . 1 . 2]" 1
637 1 43 ALA MB 1 87 TRP HZ2 . . 5.630 3.062 2.179 3.994 . 0 0 "[ . 1 . 2]" 1
638 1 43 ALA MB 1 118 ALA H . . 6.530 5.346 4.703 5.909 . 0 0 "[ . 1 . 2]" 1
639 1 44 THR H 1 44 THR HB . . 3.860 2.557 2.301 3.174 . 0 0 "[ . 1 . 2]" 1
640 1 44 THR H 1 46 VAL QG . . 7.620 4.314 4.138 4.998 . 0 0 "[ . 1 . 2]" 1
641 1 44 THR HA 1 45 ILE H . . 3.300 2.182 2.117 2.243 . 0 0 "[ . 1 . 2]" 1
642 1 44 THR HB 1 45 ILE H . . 4.320 4.161 3.990 4.345 0.025 20 0 "[ . 1 . 2]" 1
643 1 44 THR MG 1 45 ILE H . . 6.530 2.842 2.400 3.853 . 0 0 "[ . 1 . 2]" 1
644 1 44 THR MG 1 46 VAL H . . 6.530 4.356 4.116 4.539 . 0 0 "[ . 1 . 2]" 1
645 1 44 THR MG 1 60 ASN H . . 6.530 4.256 3.530 5.141 . 0 0 "[ . 1 . 2]" 1
646 1 44 THR MG 1 61 GLN H . . 5.630 3.637 2.710 4.950 . 0 0 "[ . 1 . 2]" 1
647 1 44 THR MG 1 62 ARG H . . 6.530 3.740 2.225 5.603 . 0 0 "[ . 1 . 2]" 1
648 1 45 ILE H 1 45 ILE HB . . 2.900 2.532 2.212 2.637 . 0 0 "[ . 1 . 2]" 1
649 1 45 ILE H 1 46 VAL H . . 4.760 4.400 4.328 4.486 . 0 0 "[ . 1 . 2]" 1
650 1 45 ILE H 1 46 VAL QG . . 7.620 4.111 3.880 5.088 . 0 0 "[ . 1 . 2]" 1
651 1 45 ILE H 1 60 ASN H . . 5.070 5.167 4.726 5.414 0.344 4 0 "[ . 1 . 2]" 1
652 1 45 ILE H 1 61 GLN HA . . 5.130 4.330 3.577 5.018 . 0 0 "[ . 1 . 2]" 1
653 1 45 ILE H 1 61 GLN QB . . 6.380 1.951 1.748 2.380 . 0 0 "[ . 1 . 2]" 1
654 1 45 ILE H 1 61 GLN QG . . 6.380 2.766 1.887 3.583 . 0 0 "[ . 1 . 2]" 1
655 1 45 ILE H 1 62 ARG H . . 5.220 5.002 4.544 5.344 0.124 1 0 "[ . 1 . 2]" 1
656 1 45 ILE H 1 120 LEU QD . . 7.630 4.967 4.084 5.714 . 0 0 "[ . 1 . 2]" 1
657 1 45 ILE HA 1 46 VAL H . . 3.080 2.112 2.026 2.169 . 0 0 "[ . 1 . 2]" 1
658 1 45 ILE HB 1 46 VAL H . . 4.260 4.347 4.223 4.502 0.242 12 0 "[ . 1 . 2]" 1
659 1 45 ILE HB 1 60 ASN H . . 5.500 4.538 4.235 5.586 0.086 8 0 "[ . 1 . 2]" 1
660 1 45 ILE HB 1 61 GLN H . . 5.500 3.751 3.050 5.133 . 0 0 "[ . 1 . 2]" 1
661 1 45 ILE QG 1 46 VAL H . . 6.380 4.285 3.408 4.855 . 0 0 "[ . 1 . 2]" 1
662 1 45 ILE MG 1 46 VAL H . . 6.530 2.991 2.718 3.739 . 0 0 "[ . 1 . 2]" 1
663 1 45 ILE MG 1 47 HIS H . . 6.530 5.022 4.811 5.320 . 0 0 "[ . 1 . 2]" 1
664 1 45 ILE MG 1 60 ASN H . . 6.530 4.112 3.076 4.699 . 0 0 "[ . 1 . 2]" 1
665 1 45 ILE MG 1 61 GLN H . . 6.530 4.333 2.816 5.151 . 0 0 "[ . 1 . 2]" 1
666 1 46 VAL H 1 47 HIS H . . 4.420 4.469 4.411 4.509 0.089 6 0 "[ . 1 . 2]" 1
667 1 46 VAL H 1 120 LEU QD . . 7.630 4.607 2.832 5.513 . 0 0 "[ . 1 . 2]" 1
668 1 46 VAL HA 1 58 THR H . . 4.940 4.166 3.512 4.767 . 0 0 "[ . 1 . 2]" 1
669 1 46 VAL HA 1 59 ASP HA . . 3.330 2.847 2.435 3.153 . 0 0 "[ . 1 . 2]" 1
670 1 46 VAL HA 1 60 ASN H . . 4.660 2.818 2.091 3.323 . 0 0 "[ . 1 . 2]" 1
671 1 46 VAL HA 1 61 GLN H . . 5.500 4.531 3.760 4.986 . 0 0 "[ . 1 . 2]" 1
672 1 46 VAL HB 1 47 HIS H . . 3.730 2.560 2.322 4.134 0.404 4 0 "[ . 1 . 2]" 1
673 1 46 VAL HB 1 58 THR H . . 5.500 3.175 2.523 4.913 . 0 0 "[ . 1 . 2]" 1
674 1 46 VAL HB 1 58 THR HA . . 5.440 4.725 4.305 5.969 0.529 4 1 "[ +. 1 . 2]" 1
675 1 46 VAL HB 1 60 ASN H . . 5.500 4.892 4.273 5.387 . 0 0 "[ . 1 . 2]" 1
676 1 46 VAL QG 1 47 HIS H . . 7.620 3.126 2.310 3.295 . 0 0 "[ . 1 . 2]" 1
677 1 46 VAL QG 1 47 HIS HA . . 7.620 4.056 3.671 4.274 . 0 0 "[ . 1 . 2]" 1
678 1 46 VAL QG 1 48 PHE H . . 7.620 4.271 3.807 4.804 . 0 0 "[ . 1 . 2]" 1
679 1 46 VAL QG 1 48 PHE HA . . 7.620 4.402 3.965 4.764 . 0 0 "[ . 1 . 2]" 1
680 1 46 VAL QG 1 58 THR H . . 7.620 3.653 2.193 4.132 . 0 0 "[ . 1 . 2]" 1
681 1 46 VAL QG 1 59 ASP H . . 7.620 3.558 2.997 3.975 . 0 0 "[ . 1 . 2]" 1
682 1 46 VAL QG 1 60 ASN H . . 7.620 3.384 3.050 4.052 . 0 0 "[ . 1 . 2]" 1
683 1 46 VAL QG 1 118 ALA H . . 7.620 5.244 5.005 5.446 . 0 0 "[ . 1 . 2]" 1
684 1 47 HIS H 1 57 LEU HA . . 5.500 3.724 3.346 3.949 . 0 0 "[ . 1 . 2]" 1
685 1 47 HIS H 1 57 LEU QB . . 6.380 4.647 3.676 5.080 . 0 0 "[ . 1 . 2]" 1
686 1 47 HIS H 1 58 THR H . . 3.790 2.534 2.081 2.836 . 0 0 "[ . 1 . 2]" 1
687 1 47 HIS H 1 58 THR HB . . 5.500 4.824 4.290 5.241 . 0 0 "[ . 1 . 2]" 1
688 1 47 HIS H 1 58 THR MG . . 6.530 3.996 2.647 4.780 . 0 0 "[ . 1 . 2]" 1
689 1 47 HIS H 1 59 ASP H . . 5.500 5.169 4.848 5.495 . 0 0 "[ . 1 . 2]" 1
690 1 47 HIS H 1 59 ASP HA . . 4.510 4.391 3.877 4.671 0.161 1 0 "[ . 1 . 2]" 1
691 1 47 HIS H 1 60 ASN H . . 5.500 4.349 3.727 4.872 . 0 0 "[ . 1 . 2]" 1
692 1 47 HIS HA 1 47 HIS HE1 . . 5.500 5.017 4.629 5.374 . 0 0 "[ . 1 . 2]" 1
693 1 47 HIS HA 1 58 THR H . . 5.070 4.798 4.560 5.158 0.088 10 0 "[ . 1 . 2]" 1
694 1 47 HIS QB 1 48 PHE H . . 6.380 3.511 2.980 3.887 . 0 0 "[ . 1 . 2]" 1
695 1 47 HIS QB 1 58 THR HB . . 6.190 4.449 3.810 5.166 . 0 0 "[ . 1 . 2]" 1
696 1 47 HIS QB 1 60 ASN QB . . 6.380 3.877 2.640 4.841 . 0 0 "[ . 1 . 2]" 1
697 1 47 HIS HD2 1 58 THR H . . 5.500 5.194 4.239 5.559 0.059 10 0 "[ . 1 . 2]" 1
698 1 48 PHE H 1 57 LEU QD . . 8.100 3.847 3.577 4.361 . 0 0 "[ . 1 . 2]" 1
699 1 48 PHE HA 1 49 LYS H . . 3.420 2.154 2.103 2.192 . 0 0 "[ . 1 . 2]" 1
700 1 48 PHE HA 1 50 VAL QG . . 7.620 4.573 4.165 5.531 . 0 0 "[ . 1 . 2]" 1
701 1 48 PHE HA 1 56 THR H . . 4.200 4.187 3.955 4.442 0.242 6 0 "[ . 1 . 2]" 1
702 1 48 PHE HA 1 57 LEU QD . . 7.420 2.457 2.201 2.891 . 0 0 "[ . 1 . 2]" 1
703 1 48 PHE QD 1 49 LYS H . . 7.620 3.852 3.194 4.239 . 0 0 "[ . 1 . 2]" 1
704 1 48 PHE QD 1 55 ILE MD . . 8.490 3.798 3.160 4.938 . 0 0 "[ . 1 . 2]" 1
705 1 48 PHE QD 1 133 VAL MG1 . . 8.650 5.885 5.454 6.327 . 0 0 "[ . 1 . 2]" 1
706 1 48 PHE QD 1 133 VAL QG . . 8.260 4.338 3.850 4.734 . 0 0 "[ . 1 . 2]" 1
707 1 48 PHE QD 1 133 VAL MG2 . . 8.650 4.468 3.922 4.889 . 0 0 "[ . 1 . 2]" 1
708 1 48 PHE QE 1 55 ILE MG . . 7.910 2.424 1.855 2.766 . 0 0 "[ . 1 . 2]" 1
709 1 48 PHE QE 1 117 PHE HZ . . 6.290 4.252 3.443 5.133 . 0 0 "[ . 1 . 2]" 1
710 1 48 PHE QE 1 129 ILE MG . . 8.650 3.933 3.500 4.527 . 0 0 "[ . 1 . 2]" 1
711 1 48 PHE HZ 1 101 PHE QD . . 6.540 3.365 2.540 4.196 . 0 0 "[ . 1 . 2]" 1
712 1 48 PHE HZ 1 101 PHE QE . . 7.090 2.840 2.050 3.404 . 0 0 "[ . 1 . 2]" 1
713 1 48 PHE HZ 1 133 VAL QG . . 7.250 3.558 3.101 4.402 . 0 0 "[ . 1 . 2]" 1
714 1 49 LYS H 1 50 VAL H . . 5.190 4.268 4.135 4.571 . 0 0 "[ . 1 . 2]" 1
715 1 49 LYS H 1 50 VAL QG . . 7.620 4.256 3.969 5.066 . 0 0 "[ . 1 . 2]" 1
716 1 49 LYS H 1 55 ILE HA . . 4.450 4.412 4.148 4.720 0.270 14 0 "[ . 1 . 2]" 1
717 1 49 LYS H 1 55 ILE MG . . 6.530 3.706 3.312 4.186 . 0 0 "[ . 1 . 2]" 1
718 1 49 LYS H 1 56 THR H . . 4.290 2.718 2.554 2.973 . 0 0 "[ . 1 . 2]" 1
719 1 49 LYS H 1 56 THR HA . . 5.100 4.675 4.522 4.799 . 0 0 "[ . 1 . 2]" 1
720 1 49 LYS H 1 56 THR HB . . 5.500 3.529 3.235 5.154 . 0 0 "[ . 1 . 2]" 1
721 1 49 LYS H 1 56 THR MG . . 6.530 4.276 3.196 4.599 . 0 0 "[ . 1 . 2]" 1
722 1 49 LYS H 1 56 THR O . . 1.400 1.853 1.722 1.998 0.598 7 6 "[* . + 1* - * * 2]" 1
723 1 49 LYS H 1 57 LEU HA . . 4.540 3.906 3.567 4.129 . 0 0 "[ . 1 . 2]" 1
724 1 49 LYS H 1 57 LEU MD1 . . 6.530 5.354 5.158 5.556 . 0 0 "[ . 1 . 2]" 1
725 1 49 LYS H 1 57 LEU MD2 . . 6.530 3.953 3.666 4.334 . 0 0 "[ . 1 . 2]" 1
726 1 49 LYS H 1 58 THR MG . . 6.530 5.001 4.611 5.261 . 0 0 "[ . 1 . 2]" 1
727 1 49 LYS HA 1 50 VAL H . . 3.270 2.146 2.031 2.235 . 0 0 "[ . 1 . 2]" 1
728 1 49 LYS HA 1 56 THR H . . 5.340 4.526 4.422 4.801 . 0 0 "[ . 1 . 2]" 1
729 1 49 LYS QB 1 50 VAL H . . 6.380 3.853 3.162 4.021 . 0 0 "[ . 1 . 2]" 1
730 1 49 LYS QB 1 56 THR H . . 6.380 2.922 2.600 3.258 . 0 0 "[ . 1 . 2]" 1
731 1 49 LYS QD 1 50 VAL H . . 6.380 4.879 4.158 5.650 . 0 0 "[ . 1 . 2]" 1
732 1 49 LYS QD 1 56 THR H . . 6.380 5.456 4.826 5.791 . 0 0 "[ . 1 . 2]" 1
733 1 49 LYS QD 1 56 THR HB . . 6.070 3.922 2.588 5.058 . 0 0 "[ . 1 . 2]" 1
734 1 49 LYS QG 1 50 VAL H . . 6.380 3.117 2.453 3.787 . 0 0 "[ . 1 . 2]" 1
735 1 49 LYS QG 1 51 SER H . . 6.380 4.669 3.498 5.818 . 0 0 "[ . 1 . 2]" 1
736 1 49 LYS QG 1 56 THR H . . 6.380 4.354 3.601 5.178 . 0 0 "[ . 1 . 2]" 1
737 1 49 LYS N 1 56 THR O . . 2.400 2.849 2.722 2.992 0.592 7 6 "[- . + 1* * * * 2]" 1
738 1 49 LYS O 1 56 THR H . . 1.400 1.948 1.798 2.145 0.745 6 12 "[ * *.+** *** * *- *]" 1
739 1 49 LYS O 1 56 THR N . . 2.400 2.855 2.716 3.109 0.709 6 8 "[ - *.+* ** * *]" 1
740 1 50 VAL H 1 51 SER H . . 5.220 4.241 3.936 4.505 . 0 0 "[ . 1 . 2]" 1
741 1 50 VAL H 1 55 ILE MG . . 6.530 5.165 4.653 5.634 . 0 0 "[ . 1 . 2]" 1
742 1 50 VAL H 1 56 THR H . . 5.500 4.932 4.733 5.157 . 0 0 "[ . 1 . 2]" 1
743 1 50 VAL HA 1 51 SER H . . 3.640 2.135 2.056 2.317 . 0 0 "[ . 1 . 2]" 1
744 1 50 VAL HA 1 55 ILE HA . . 3.520 2.743 2.419 3.057 . 0 0 "[ . 1 . 2]" 1
745 1 50 VAL HA 1 56 THR H . . 4.200 4.059 3.784 4.322 0.122 10 0 "[ . 1 . 2]" 1
746 1 50 VAL HB 1 51 SER H . . 4.350 4.226 3.011 4.458 0.108 9 0 "[ . 1 . 2]" 1
747 1 50 VAL QG 1 51 SER H . . 7.220 3.033 2.739 3.545 . 0 0 "[ . 1 . 2]" 1
748 1 50 VAL QG 1 51 SER HA . . 7.620 3.849 3.222 4.564 . 0 0 "[ . 1 . 2]" 1
749 1 50 VAL QG 1 54 GLY H . . 7.620 4.287 3.262 5.104 . 0 0 "[ . 1 . 2]" 1
750 1 50 VAL QG 1 55 ILE MG . . 8.650 3.133 2.679 3.736 . 0 0 "[ . 1 . 2]" 1
751 1 50 VAL QG 1 56 THR H . . 7.620 4.353 3.927 5.043 . 0 0 "[ . 1 . 2]" 1
752 1 50 VAL QG 1 129 ILE MG . . 8.650 4.094 3.423 4.775 . 0 0 "[ . 1 . 2]" 1
753 1 50 VAL QG 1 132 PHE HB2 . . 7.620 5.314 4.992 5.696 . 0 0 "[ . 1 . 2]" 1
754 1 50 VAL QG 1 132 PHE QB . . 7.420 4.343 3.951 4.743 . 0 0 "[ . 1 . 2]" 1
755 1 50 VAL QG 1 132 PHE HB3 . . 7.620 4.622 4.142 5.333 . 0 0 "[ . 1 . 2]" 1
756 1 51 SER H 1 52 ALA H . . 4.690 4.380 3.999 4.545 . 0 0 "[ . 1 . 2]" 1
757 1 51 SER H 1 53 GLN H . . 5.500 4.775 4.004 5.183 . 0 0 "[ . 1 . 2]" 1
758 1 51 SER H 1 54 GLY H . . 4.200 3.063 2.754 3.589 . 0 0 "[ . 1 . 2]" 1
759 1 51 SER H 1 54 GLY QA . . 5.070 3.880 3.371 4.425 . 0 0 "[ . 1 . 2]" 1
760 1 51 SER H 1 55 ILE HA . . 3.730 3.577 3.239 3.850 0.120 16 0 "[ . 1 . 2]" 1
761 1 51 SER H 1 55 ILE QG . . 6.380 4.790 3.897 5.818 . 0 0 "[ . 1 . 2]" 1
762 1 51 SER H 1 55 ILE MG . . 6.530 5.249 4.662 5.657 . 0 0 "[ . 1 . 2]" 1
763 1 51 SER H 1 56 THR H . . 5.280 4.977 4.645 5.203 . 0 0 "[ . 1 . 2]" 1
764 1 51 SER H 1 72 LEU QD . . 8.100 4.828 3.771 5.779 . 0 0 "[ . 1 . 2]" 1
765 1 51 SER H 1 136 VAL QG . . 7.620 4.755 4.172 5.500 . 0 0 "[ . 1 . 2]" 1
766 1 51 SER HA 1 52 ALA MB . . 5.320 4.158 3.941 4.263 . 0 0 "[ . 1 . 2]" 1
767 1 51 SER QB 1 54 GLY H . . 5.200 3.891 2.503 4.754 . 0 0 "[ . 1 . 2]" 1
768 1 52 ALA H 1 53 GLN H . . 5.500 3.650 2.912 4.266 . 0 0 "[ . 1 . 2]" 1
769 1 52 ALA H 1 54 GLY H . . 5.500 4.774 4.276 5.471 . 0 0 "[ . 1 . 2]" 1
770 1 52 ALA MB 1 54 GLY H . . 6.530 4.847 3.742 5.431 . 0 0 "[ . 1 . 2]" 1
771 1 53 GLN H 1 53 GLN HG2 . . 5.500 4.119 2.132 5.161 . 0 0 "[ . 1 . 2]" 1
772 1 53 GLN H 1 53 GLN HG3 . . 5.500 4.027 2.623 4.908 . 0 0 "[ . 1 . 2]" 1
773 1 53 GLN H 1 54 GLY H . . 3.170 2.913 2.035 3.364 0.194 1 0 "[ . 1 . 2]" 1
774 1 53 GLN H 1 72 LEU QB . . 6.380 4.544 3.567 5.685 . 0 0 "[ . 1 . 2]" 1
775 1 53 GLN HA 1 71 PRO HA . . 4.570 4.425 4.168 4.605 0.035 17 0 "[ . 1 . 2]" 1
776 1 53 GLN HA 1 72 LEU H . . 5.380 3.251 2.664 4.453 . 0 0 "[ . 1 . 2]" 1
777 1 53 GLN QB 1 71 PRO HA . . 6.380 4.551 4.064 5.278 . 0 0 "[ . 1 . 2]" 1
778 1 53 GLN QB 1 72 LEU H . . 6.380 3.910 2.858 5.208 . 0 0 "[ . 1 . 2]" 1
779 1 53 GLN HG2 1 54 GLY H . . 5.500 4.727 4.060 5.514 0.014 14 0 "[ . 1 . 2]" 1
780 1 53 GLN HG3 1 54 GLY H . . 5.500 4.991 4.301 5.552 0.052 6 0 "[ . 1 . 2]" 1
781 1 54 GLY H 1 55 ILE H . . 4.380 3.890 3.174 4.284 . 0 0 "[ . 1 . 2]" 1
782 1 54 GLY H 1 72 LEU H . . 4.970 3.899 3.262 4.524 . 0 0 "[ . 1 . 2]" 1
783 1 54 GLY H 1 72 LEU QD . . 8.100 3.599 1.727 5.003 . 0 0 "[ . 1 . 2]" 1
784 1 54 GLY QA 1 70 TYR H . . 6.160 4.631 3.657 4.991 . 0 0 "[ . 1 . 2]" 1
785 1 54 GLY QA 1 71 PRO HA . . 6.130 2.143 1.572 3.295 . 0 0 "[ . 1 . 2]" 1
786 1 54 GLY QA 1 72 LEU H . . 5.730 3.161 2.393 4.191 . 0 0 "[ . 1 . 2]" 1
787 1 55 ILE H 1 55 ILE MD . . 5.780 3.282 2.566 3.676 . 0 0 "[ . 1 . 2]" 1
788 1 55 ILE H 1 56 THR H . . 5.100 4.417 4.231 4.477 . 0 0 "[ . 1 . 2]" 1
789 1 55 ILE H 1 56 THR HA . . 5.500 5.058 4.874 5.204 . 0 0 "[ . 1 . 2]" 1
790 1 55 ILE H 1 69 HIS HA . . 5.500 4.622 4.354 5.044 . 0 0 "[ . 1 . 2]" 1
791 1 55 ILE H 1 70 TYR H . . 4.290 3.305 2.907 3.565 . 0 0 "[ . 1 . 2]" 1
792 1 55 ILE H 1 70 TYR QB . . 6.380 3.816 3.015 4.929 . 0 0 "[ . 1 . 2]" 1
793 1 55 ILE H 1 72 LEU H . . 5.000 4.305 3.585 5.052 0.052 13 0 "[ . 1 . 2]" 1
794 1 55 ILE H 1 75 VAL QG . . 7.620 4.524 3.857 5.064 . 0 0 "[ . 1 . 2]" 1
795 1 55 ILE HA 1 56 THR H . . 3.270 2.204 2.150 2.259 . 0 0 "[ . 1 . 2]" 1
796 1 55 ILE HA 1 70 TYR H . . 4.600 4.713 4.495 4.897 0.297 5 0 "[ . 1 . 2]" 1
797 1 55 ILE HB 1 56 THR H . . 4.880 4.203 3.999 4.404 . 0 0 "[ . 1 . 2]" 1
798 1 55 ILE HB 1 70 TYR H . . 5.500 3.241 2.484 4.363 . 0 0 "[ . 1 . 2]" 1
799 1 55 ILE HB 1 70 TYR QB . . 5.600 2.674 1.968 4.259 . 0 0 "[ . 1 . 2]" 1
800 1 55 ILE HB 1 70 TYR QD . . 7.640 3.763 2.457 4.896 . 0 0 "[ . 1 . 2]" 1
801 1 55 ILE HB 1 70 TYR QE . . 7.630 5.621 2.684 6.819 . 0 0 "[ . 1 . 2]" 1
802 1 55 ILE MD 1 56 THR H . . 5.260 4.071 3.791 4.671 . 0 0 "[ . 1 . 2]" 1
803 1 55 ILE MD 1 70 TYR H . . 6.530 5.434 4.865 5.749 . 0 0 "[ . 1 . 2]" 1
804 1 55 ILE MD 1 101 PHE QD . . 8.650 5.825 5.095 6.352 . 0 0 "[ . 1 . 2]" 1
805 1 55 ILE QG 1 56 THR H . . 6.380 4.582 3.663 4.970 . 0 0 "[ . 1 . 2]" 1
806 1 55 ILE MG 1 56 THR H . . 6.530 2.670 2.407 3.147 . 0 0 "[ . 1 . 2]" 1
807 1 55 ILE MG 1 57 LEU H . . 6.530 4.322 3.732 4.817 . 0 0 "[ . 1 . 2]" 1
808 1 55 ILE MG 1 70 TYR QD . . 8.510 3.368 2.593 3.930 . 0 0 "[ . 1 . 2]" 1
809 1 55 ILE MG 1 70 TYR QE . . 8.660 4.618 2.141 5.577 . 0 0 "[ . 1 . 2]" 1
810 1 55 ILE MG 1 99 PHE QE . . 8.650 5.279 4.388 5.928 . 0 0 "[ . 1 . 2]" 1
811 1 55 ILE MG 1 101 PHE HZ . . 5.350 4.145 3.931 4.712 . 0 0 "[ . 1 . 2]" 1
812 1 55 ILE MG 1 133 VAL QG . . 7.290 3.942 3.186 4.223 . 0 0 "[ . 1 . 2]" 1
813 1 56 THR H 1 56 THR HB . . 3.670 2.771 2.597 2.999 . 0 0 "[ . 1 . 2]" 1
814 1 56 THR H 1 57 LEU H . . 4.420 4.328 4.078 4.427 0.007 3 0 "[ . 1 . 2]" 1
815 1 56 THR H 1 57 LEU MD1 . . 6.530 5.035 4.731 5.338 . 0 0 "[ . 1 . 2]" 1
816 1 56 THR H 1 57 LEU MD2 . . 6.530 4.926 4.576 5.381 . 0 0 "[ . 1 . 2]" 1
817 1 56 THR H 1 57 LEU HG . . 5.500 4.052 3.770 4.309 . 0 0 "[ . 1 . 2]" 1
818 1 56 THR H 1 69 HIS HA . . 5.130 4.706 4.358 4.945 . 0 0 "[ . 1 . 2]" 1
819 1 56 THR H 1 70 TYR H . . 5.500 4.753 4.634 4.903 . 0 0 "[ . 1 . 2]" 1
820 1 56 THR HA 1 57 LEU H . . 3.610 2.123 2.060 2.187 . 0 0 "[ . 1 . 2]" 1
821 1 56 THR HA 1 68 ARG H . . 5.500 4.753 4.273 5.339 . 0 0 "[ . 1 . 2]" 1
822 1 56 THR HA 1 69 HIS H . . 5.280 4.721 4.498 4.862 . 0 0 "[ . 1 . 2]" 1
823 1 56 THR HA 1 69 HIS HA . . 2.740 2.343 2.072 2.719 . 0 0 "[ . 1 . 2]" 1
824 1 56 THR HA 1 70 TYR H . . 3.830 3.413 3.050 3.763 . 0 0 "[ . 1 . 2]" 1
825 1 56 THR HB 1 57 LEU H . . 5.410 4.116 3.990 4.444 . 0 0 "[ . 1 . 2]" 1
826 1 56 THR MG 1 57 LEU H . . 6.340 2.691 2.435 3.583 . 0 0 "[ . 1 . 2]" 1
827 1 56 THR MG 1 58 THR H . . 6.530 3.986 3.288 4.595 . 0 0 "[ . 1 . 2]" 1
828 1 56 THR MG 1 68 ARG H . . 6.120 4.084 3.565 5.402 . 0 0 "[ . 1 . 2]" 1
829 1 56 THR MG 1 69 HIS H . . 6.530 4.828 4.387 5.742 . 0 0 "[ . 1 . 2]" 1
830 1 56 THR MG 1 69 HIS HB2 . . 6.530 3.625 2.262 4.460 . 0 0 "[ . 1 . 2]" 1
831 1 56 THR MG 1 69 HIS HB3 . . 6.530 3.433 2.046 5.475 . 0 0 "[ . 1 . 2]" 1
832 1 56 THR MG 1 70 TYR H . . 6.530 4.960 4.492 5.287 . 0 0 "[ . 1 . 2]" 1
833 1 57 LEU H 1 57 LEU HG . . 5.500 3.068 2.395 3.389 . 0 0 "[ . 1 . 2]" 1
834 1 57 LEU H 1 58 THR H . . 5.040 4.127 3.959 4.404 . 0 0 "[ . 1 . 2]" 1
835 1 57 LEU H 1 58 THR MG . . 6.530 4.077 3.716 4.921 . 0 0 "[ . 1 . 2]" 1
836 1 57 LEU H 1 67 ARG HA . . 5.500 4.714 4.208 5.327 . 0 0 "[ . 1 . 2]" 1
837 1 57 LEU H 1 68 ARG H . . 4.070 3.101 2.677 3.527 . 0 0 "[ . 1 . 2]" 1
838 1 57 LEU H 1 68 ARG QB . . 6.380 3.721 2.867 4.767 . 0 0 "[ . 1 . 2]" 1
839 1 57 LEU H 1 68 ARG O . . 1.400 1.906 1.648 2.315 0.915 6 10 "[** .+* 1* *-* **]" 1
840 1 57 LEU H 1 69 HIS HA . . 4.110 3.659 3.114 4.109 . 0 0 "[ . 1 . 2]" 1
841 1 57 LEU H 1 70 TYR H . . 5.160 4.777 4.296 5.135 . 0 0 "[ . 1 . 2]" 1
842 1 57 LEU HA 1 58 THR H . . 3.210 2.096 1.971 2.147 . 0 0 "[ . 1 . 2]" 1
843 1 57 LEU QB 1 68 ARG H . . 6.380 3.276 2.912 5.037 . 0 0 "[ . 1 . 2]" 1
844 1 57 LEU QD 1 68 ARG H . . 7.260 4.459 3.345 4.706 . 0 0 "[ . 1 . 2]" 1
845 1 57 LEU QD 1 70 TYR QB . . 8.980 4.088 3.570 5.199 . 0 0 "[ . 1 . 2]" 1
846 1 57 LEU QD 1 70 TYR QE . . 8.680 2.661 1.915 3.360 . 0 0 "[ . 1 . 2]" 1
847 1 57 LEU QD 1 101 PHE QD . . 9.940 4.801 4.327 5.226 . 0 0 "[ . 1 . 2]" 1
848 1 57 LEU MD1 1 58 THR H . . 6.530 5.288 4.649 5.446 . 0 0 "[ . 1 . 2]" 1
849 1 57 LEU MD1 1 101 PHE HZ . . 6.530 3.083 2.840 3.677 . 0 0 "[ . 1 . 2]" 1
850 1 57 LEU MD2 1 58 THR H . . 6.530 3.655 3.215 5.132 . 0 0 "[ . 1 . 2]" 1
851 1 57 LEU MD2 1 101 PHE HZ . . 6.530 5.053 4.168 5.293 . 0 0 "[ . 1 . 2]" 1
852 1 57 LEU HG 1 68 ARG H . . 5.500 5.484 5.317 5.579 0.079 18 0 "[ . 1 . 2]" 1
853 1 57 LEU HG 1 70 TYR QD . . 7.640 4.369 3.803 5.014 . 0 0 "[ . 1 . 2]" 1
854 1 57 LEU HG 1 70 TYR QE . . 7.070 4.947 2.938 5.587 . 0 0 "[ . 1 . 2]" 1
855 1 57 LEU N 1 68 ARG O . . 2.400 2.869 2.651 3.234 0.834 6 8 "[** .+- 1 * * **]" 1
856 1 58 THR H 1 58 THR HB . . 4.200 3.638 3.106 3.885 . 0 0 "[ . 1 . 2]" 1
857 1 58 THR H 1 59 ASP H . . 4.570 4.437 4.132 4.620 0.050 14 0 "[ . 1 . 2]" 1
858 1 58 THR HA 1 59 ASP H . . 3.330 2.204 2.074 2.353 . 0 0 "[ . 1 . 2]" 1
859 1 58 THR HA 1 65 PHE QD . . 7.620 5.682 3.718 7.158 . 0 0 "[ . 1 . 2]" 1
860 1 58 THR HA 1 65 PHE QE . . 7.620 4.731 3.162 5.874 . 0 0 "[ . 1 . 2]" 1
861 1 58 THR HA 1 65 PHE HZ . . 5.500 5.406 4.473 5.761 0.261 4 0 "[ . 1 . 2]" 1
862 1 58 THR HA 1 67 ARG HA . . 2.680 2.692 2.551 2.886 0.206 18 0 "[ . 1 . 2]" 1
863 1 58 THR HA 1 68 ARG H . . 4.320 3.909 3.536 4.185 . 0 0 "[ . 1 . 2]" 1
864 1 58 THR HB 1 59 ASP H . . 4.600 3.422 2.962 4.009 . 0 0 "[ . 1 . 2]" 1
865 1 58 THR MG 1 59 ASP H . . 5.410 4.089 3.803 4.295 . 0 0 "[ . 1 . 2]" 1
866 1 58 THR MG 1 68 ARG H . . 6.530 4.530 3.696 5.568 . 0 0 "[ . 1 . 2]" 1
867 1 59 ASP H 1 67 ARG HA . . 4.260 3.706 3.227 4.162 . 0 0 "[ . 1 . 2]" 1
868 1 59 ASP HA 1 60 ASN H . . 3.080 2.152 2.088 2.235 . 0 0 "[ . 1 . 2]" 1
869 1 59 ASP HA 1 61 GLN H . . 3.330 3.300 3.173 3.395 0.065 14 0 "[ . 1 . 2]" 1
870 1 59 ASP HA 1 62 ARG H . . 5.500 4.991 4.261 5.455 . 0 0 "[ . 1 . 2]" 1
871 1 59 ASP QB 1 61 GLN H . . 6.100 3.888 3.091 4.395 . 0 0 "[ . 1 . 2]" 1
872 1 59 ASP QB 1 63 LYS H . . 6.380 3.718 2.322 4.613 . 0 0 "[ . 1 . 2]" 1
873 1 60 ASN H 1 61 GLN H . . 4.010 2.228 2.027 2.439 . 0 0 "[ . 1 . 2]" 1
874 1 60 ASN H 1 61 GLN HA . . 5.440 4.721 4.495 4.960 . 0 0 "[ . 1 . 2]" 1
875 1 60 ASN H 1 61 GLN QB . . 6.380 3.798 3.503 4.049 . 0 0 "[ . 1 . 2]" 1
876 1 60 ASN H 1 62 ARG H . . 5.500 4.736 3.878 5.293 . 0 0 "[ . 1 . 2]" 1
877 1 60 ASN HA 1 61 GLN H . . 3.550 3.339 3.183 3.495 . 0 0 "[ . 1 . 2]" 1
878 1 60 ASN HA 1 62 ARG H . . 5.220 4.830 3.890 5.455 0.235 8 0 "[ . 1 . 2]" 1
879 1 60 ASN HA 1 63 LYS H . . 5.160 4.460 3.411 5.131 . 0 0 "[ . 1 . 2]" 1
880 1 61 GLN H 1 62 ARG H . . 3.300 2.759 2.033 3.342 0.042 11 0 "[ . 1 . 2]" 1
881 1 61 GLN H 1 63 LYS H . . 4.630 3.915 2.972 4.727 0.097 14 0 "[ . 1 . 2]" 1
882 1 61 GLN QB 1 63 LYS H . . 5.540 4.261 3.521 5.081 . 0 0 "[ . 1 . 2]" 1
883 1 61 GLN QG 1 62 ARG H . . 6.380 3.721 2.759 4.868 . 0 0 "[ . 1 . 2]" 1
884 1 62 ARG H 1 63 LYS H . . 3.670 2.341 1.903 3.093 . 0 0 "[ . 1 . 2]" 1
885 1 62 ARG H 1 63 LYS HA . . 4.070 4.319 4.108 4.541 0.471 18 0 "[ . 1 . 2]" 1
886 1 62 ARG QG 1 63 LYS H . . 6.380 4.379 3.701 4.696 . 0 0 "[ . 1 . 2]" 1
887 1 65 PHE HZ 1 67 ARG HA . . 5.500 4.355 3.361 5.374 . 0 0 "[ . 1 . 2]" 1
888 1 66 PHE QB 1 67 ARG H . . 4.490 2.366 1.592 3.884 . 0 0 "[ . 1 . 2]" 1
889 1 67 ARG H 1 68 ARG H . . 5.070 4.397 4.202 4.509 . 0 0 "[ . 1 . 2]" 1
890 1 67 ARG HA 1 68 ARG H . . 3.390 2.200 2.064 2.313 . 0 0 "[ . 1 . 2]" 1
891 1 68 ARG H 1 69 HIS H . . 5.500 4.496 4.375 4.544 . 0 0 "[ . 1 . 2]" 1
892 1 68 ARG H 1 69 HIS HA . . 4.850 5.131 5.010 5.275 0.425 19 0 "[ . 1 . 2]" 1
893 1 68 ARG HA 1 69 HIS H . . 3.420 2.213 2.074 2.303 . 0 0 "[ . 1 . 2]" 1
894 1 69 HIS H 1 69 HIS HB2 . . 4.170 3.689 2.935 3.975 . 0 0 "[ . 1 . 2]" 1
895 1 69 HIS H 1 69 HIS HB3 . . 4.170 3.077 2.440 3.534 . 0 0 "[ . 1 . 2]" 1
896 1 69 HIS H 1 70 TYR H . . 4.940 4.031 3.866 4.291 . 0 0 "[ . 1 . 2]" 1
897 1 69 HIS H 1 70 TYR HA . . 4.600 4.754 4.654 4.908 0.308 14 0 "[ . 1 . 2]" 1
898 1 69 HIS HA 1 70 TYR H . . 3.480 2.053 2.019 2.096 . 0 0 "[ . 1 . 2]" 1
899 1 69 HIS QB 1 70 TYR H . . 4.680 3.469 2.906 3.848 . 0 0 "[ . 1 . 2]" 1
900 1 69 HIS HB2 1 70 TYR H . . 4.910 3.710 2.981 4.554 . 0 0 "[ . 1 . 2]" 1
901 1 69 HIS HB3 1 70 TYR H . . 4.910 4.279 4.024 4.532 . 0 0 "[ . 1 . 2]" 1
902 1 69 HIS HD2 1 71 PRO QD . . 6.380 3.364 2.215 4.343 . 0 0 "[ . 1 . 2]" 1
903 1 69 HIS HD2 1 71 PRO QG . . 6.380 4.809 3.332 5.893 . 0 0 "[ . 1 . 2]" 1
904 1 70 TYR H 1 71 PRO QD . . 6.380 3.960 3.525 4.229 . 0 0 "[ . 1 . 2]" 1
905 1 70 TYR H 1 75 VAL QG . . 7.620 5.216 4.569 5.598 . 0 0 "[ . 1 . 2]" 1
906 1 70 TYR HA 1 74 THR MG . . 6.530 3.534 2.485 4.252 . 0 0 "[ . 1 . 2]" 1
907 1 70 TYR HA 1 75 VAL QG . . 7.440 4.710 4.047 5.157 . 0 0 "[ . 1 . 2]" 1
908 1 70 TYR HA 1 103 ALA MB . . 6.530 4.962 4.315 5.312 . 0 0 "[ . 1 . 2]" 1
909 1 70 TYR QD 1 103 ALA MB . . 8.510 3.386 2.635 4.171 . 0 0 "[ . 1 . 2]" 1
910 1 70 TYR QE 1 74 THR MG . . 8.190 4.888 3.999 5.472 . 0 0 "[ . 1 . 2]" 1
911 1 70 TYR QE 1 101 PHE HZ . . 7.630 3.597 2.170 5.053 . 0 0 "[ . 1 . 2]" 1
912 1 70 TYR QE 1 103 ALA MB . . 8.660 3.931 2.859 5.110 . 0 0 "[ . 1 . 2]" 1
913 1 70 TYR QE 1 115 HIS HE1 . . 7.630 3.830 2.670 6.448 . 0 0 "[ . 1 . 2]" 1
914 1 71 PRO HA 1 73 ASN H . . 4.350 3.963 3.729 4.672 0.322 20 0 "[ . 1 . 2]" 1
915 1 71 PRO QD 1 74 THR MG . . 7.400 2.471 2.044 2.863 . 0 0 "[ . 1 . 2]" 1
916 1 72 LEU H 1 72 LEU HG . . 5.500 4.012 2.686 4.549 . 0 0 "[ . 1 . 2]" 1
917 1 72 LEU H 1 73 ASN H . . 4.450 2.791 2.616 3.057 . 0 0 "[ . 1 . 2]" 1
918 1 72 LEU H 1 74 THR H . . 4.910 4.455 4.096 5.076 0.166 16 0 "[ . 1 . 2]" 1
919 1 72 LEU H 1 74 THR MG . . 6.530 5.048 4.530 5.691 . 0 0 "[ . 1 . 2]" 1
920 1 72 LEU HA 1 73 ASN H . . 3.450 3.458 3.336 3.586 0.136 20 0 "[ . 1 . 2]" 1
921 1 72 LEU HA 1 74 THR H . . 3.760 3.613 3.300 4.049 0.289 11 0 "[ . 1 . 2]" 1
922 1 72 LEU HA 1 75 VAL H . . 4.790 3.183 2.529 4.234 . 0 0 "[ . 1 . 2]" 1
923 1 72 LEU QB 1 73 ASN H . . 6.380 3.167 2.710 3.454 . 0 0 "[ . 1 . 2]" 1
924 1 72 LEU QD 1 73 ASN H . . 8.100 4.262 3.786 4.476 . 0 0 "[ . 1 . 2]" 1
925 1 72 LEU QD 1 74 THR H . . 8.100 4.911 4.266 5.254 . 0 0 "[ . 1 . 2]" 1
926 1 72 LEU QD 1 75 VAL H . . 7.290 4.412 3.611 5.211 . 0 0 "[ . 1 . 2]" 1
927 1 72 LEU QD 1 137 MET H . . 8.100 3.930 3.261 5.160 . 0 0 "[ . 1 . 2]" 1
928 1 72 LEU HG 1 73 ASN H . . 5.500 4.876 4.385 5.349 . 0 0 "[ . 1 . 2]" 1
929 1 72 LEU HG 1 75 VAL H . . 5.500 4.821 3.729 5.429 . 0 0 "[ . 1 . 2]" 1
930 1 73 ASN H 1 74 THR H . . 4.630 2.734 2.403 3.347 . 0 0 "[ . 1 . 2]" 1
931 1 73 ASN H 1 74 THR MG . . 6.530 3.972 3.236 4.963 . 0 0 "[ . 1 . 2]" 1
932 1 73 ASN HA 1 75 VAL H . . 4.880 4.755 3.925 5.186 0.306 10 0 "[ . 1 . 2]" 1
933 1 73 ASN HB2 1 74 THR H . . 5.500 3.897 2.969 4.559 . 0 0 "[ . 1 . 2]" 1
934 1 73 ASN HB3 1 74 THR H . . 5.500 3.609 2.713 4.778 . 0 0 "[ . 1 . 2]" 1
935 1 74 THR H 1 75 VAL H . . 3.170 2.410 2.052 3.217 0.047 20 0 "[ . 1 . 2]" 1
936 1 74 THR H 1 75 VAL HB . . 4.320 4.418 3.703 4.747 0.427 12 0 "[ . 1 . 2]" 1
937 1 74 THR H 1 75 VAL QG . . 7.620 3.663 2.846 4.256 . 0 0 "[ . 1 . 2]" 1
938 1 74 THR HA 1 103 ALA MB . . 6.530 4.272 3.530 5.016 . 0 0 "[ . 1 . 2]" 1
939 1 74 THR HA 1 104 ARG H . . 4.570 2.786 2.333 3.295 . 0 0 "[ . 1 . 2]" 1
940 1 74 THR HA 1 105 LYS H . . 4.170 3.986 2.899 4.342 0.172 15 0 "[ . 1 . 2]" 1
941 1 74 THR HB 1 75 VAL H . . 5.500 3.972 3.393 4.679 . 0 0 "[ . 1 . 2]" 1
942 1 74 THR HB 1 104 ARG H . . 5.500 3.862 2.802 4.983 . 0 0 "[ . 1 . 2]" 1
943 1 74 THR HB 1 105 LYS H . . 5.500 3.841 1.885 4.646 . 0 0 "[ . 1 . 2]" 1
944 1 74 THR MG 1 75 VAL H . . 6.530 3.402 2.307 4.467 . 0 0 "[ . 1 . 2]" 1
945 1 74 THR MG 1 104 ARG H . . 6.530 4.038 2.795 4.804 . 0 0 "[ . 1 . 2]" 1
946 1 74 THR MG 1 105 LYS H . . 6.530 3.993 2.604 5.443 . 0 0 "[ . 1 . 2]" 1
947 1 75 VAL H 1 76 THR H . . 5.190 3.872 3.348 4.197 . 0 0 "[ . 1 . 2]" 1
948 1 75 VAL H 1 76 THR MG . . 6.530 4.421 3.181 4.878 . 0 0 "[ . 1 . 2]" 1
949 1 75 VAL H 1 103 ALA HA . . 5.470 3.826 3.566 4.229 . 0 0 "[ . 1 . 2]" 1
950 1 75 VAL H 1 103 ALA MB . . 6.530 4.299 3.724 4.910 . 0 0 "[ . 1 . 2]" 1
951 1 75 VAL H 1 104 ARG H . . 5.500 4.220 2.959 4.815 . 0 0 "[ . 1 . 2]" 1
952 1 75 VAL HA 1 77 PHE H . . 4.200 3.740 3.310 4.184 . 0 0 "[ . 1 . 2]" 1
953 1 75 VAL HA 1 102 VAL H . . 4.660 4.298 3.778 4.538 . 0 0 "[ . 1 . 2]" 1
954 1 75 VAL HA 1 103 ALA H . . 4.290 4.455 4.284 4.614 0.324 10 0 "[ . 1 . 2]" 1
955 1 75 VAL HA 1 103 ALA HA . . 2.770 2.413 1.992 2.777 0.007 10 0 "[ . 1 . 2]" 1
956 1 75 VAL HA 1 104 ARG H . . 4.010 3.657 2.515 4.085 0.075 16 0 "[ . 1 . 2]" 1
957 1 75 VAL HB 1 76 THR H . . 5.500 4.545 4.349 4.697 . 0 0 "[ . 1 . 2]" 1
958 1 75 VAL QG 1 76 THR H . . 7.620 3.440 2.987 3.682 . 0 0 "[ . 1 . 2]" 1
959 1 75 VAL QG 1 76 THR MG . . 8.650 4.493 4.022 4.661 . 0 0 "[ . 1 . 2]" 1
960 1 75 VAL QG 1 77 PHE H . . 7.620 3.499 2.728 4.181 . 0 0 "[ . 1 . 2]" 1
961 1 75 VAL QG 1 78 CYS H . . 7.620 4.023 3.674 4.438 . 0 0 "[ . 1 . 2]" 1
962 1 75 VAL QG 1 78 CYS HA . . 7.620 3.626 3.046 4.176 . 0 0 "[ . 1 . 2]" 1
963 1 75 VAL QG 1 101 PHE QD . . 9.740 2.496 2.218 3.037 . 0 0 "[ . 1 . 2]" 1
964 1 75 VAL QG 1 102 VAL H . . 7.100 3.559 3.062 4.138 . 0 0 "[ . 1 . 2]" 1
965 1 75 VAL QG 1 103 ALA HA . . 7.620 3.263 2.585 4.065 . 0 0 "[ . 1 . 2]" 1
966 1 76 THR H 1 77 PHE H . . 3.110 2.607 1.991 3.010 . 0 0 "[ . 1 . 2]" 1
967 1 76 THR H 1 102 VAL H . . 5.100 4.416 4.121 4.817 . 0 0 "[ . 1 . 2]" 1
968 1 76 THR H 1 102 VAL HB . . 5.500 4.394 3.626 5.871 0.371 11 0 "[ . 1 . 2]" 1
969 1 76 THR H 1 102 VAL QG . . 7.620 3.577 2.930 4.397 . 0 0 "[ . 1 . 2]" 1
970 1 76 THR H 1 103 ALA H . . 5.310 5.049 4.650 5.363 0.053 9 0 "[ . 1 . 2]" 1
971 1 76 THR H 1 103 ALA HA . . 3.730 3.225 2.523 3.866 0.136 14 0 "[ . 1 . 2]" 1
972 1 76 THR H 1 103 ALA MB . . 6.530 4.664 4.048 5.226 . 0 0 "[ . 1 . 2]" 1
973 1 76 THR H 1 104 ARG H . . 3.170 3.177 3.039 3.352 0.182 16 0 "[ . 1 . 2]" 1
974 1 76 THR HB 1 77 PHE H . . 4.570 3.575 3.282 4.255 . 0 0 "[ . 1 . 2]" 1
975 1 76 THR MG 1 77 PHE H . . 6.530 3.826 3.640 4.114 . 0 0 "[ . 1 . 2]" 1
976 1 76 THR MG 1 104 ARG H . . 6.530 2.761 2.345 3.321 . 0 0 "[ . 1 . 2]" 1
977 1 76 THR MG 1 104 ARG HA . . 5.500 4.235 3.420 4.610 . 0 0 "[ . 1 . 2]" 1
978 1 76 THR MG 1 105 LYS H . . 6.530 5.463 4.977 5.892 . 0 0 "[ . 1 . 2]" 1
979 1 77 PHE H 1 78 CYS H . . 4.350 4.344 3.998 4.466 0.116 18 0 "[ . 1 . 2]" 1
980 1 77 PHE H 1 78 CYS HA . . 5.100 5.026 4.837 5.248 0.148 10 0 "[ . 1 . 2]" 1
981 1 77 PHE H 1 78 CYS QB . . 5.880 4.772 4.392 5.031 . 0 0 "[ . 1 . 2]" 1
982 1 77 PHE H 1 101 PHE HA . . 5.130 4.636 4.329 4.829 . 0 0 "[ . 1 . 2]" 1
983 1 77 PHE H 1 101 PHE HB2 . . 5.500 4.152 3.844 4.345 . 0 0 "[ . 1 . 2]" 1
984 1 77 PHE H 1 101 PHE HB3 . . 5.500 5.592 5.223 5.777 0.277 9 0 "[ . 1 . 2]" 1
985 1 77 PHE H 1 102 VAL H . . 3.640 2.938 2.654 3.175 . 0 0 "[ . 1 . 2]" 1
986 1 77 PHE H 1 102 VAL HB . . 4.630 3.690 2.265 4.945 0.315 11 0 "[ . 1 . 2]" 1
987 1 77 PHE H 1 102 VAL QG . . 7.620 2.693 2.065 3.620 . 0 0 "[ . 1 . 2]" 1
988 1 77 PHE H 1 103 ALA HA . . 5.280 5.082 4.382 5.545 0.265 10 0 "[ . 1 . 2]" 1
989 1 77 PHE HA 1 78 CYS H . . 3.520 2.200 2.099 2.284 . 0 0 "[ . 1 . 2]" 1
990 1 77 PHE HA 1 102 VAL H . . 4.600 4.711 4.533 4.847 0.247 10 0 "[ . 1 . 2]" 1
991 1 77 PHE QE 1 79 ASP QB . . 8.500 2.784 2.058 3.995 . 0 0 "[ . 1 . 2]" 1
992 1 77 PHE HZ 1 79 ASP QB . . 6.380 4.700 3.889 5.553 . 0 0 "[ . 1 . 2]" 1
993 1 78 CYS H 1 79 ASP H . . 4.570 3.691 3.528 3.841 . 0 0 "[ . 1 . 2]" 1
994 1 78 CYS H 1 79 ASP QB . . 5.510 3.864 3.552 4.356 . 0 0 "[ . 1 . 2]" 1
995 1 78 CYS H 1 102 VAL QG . . 7.620 5.077 4.767 5.505 . 0 0 "[ . 1 . 2]" 1
996 1 78 CYS H 1 130 VAL MG1 . . 6.530 5.051 4.777 5.302 . 0 0 "[ . 1 . 2]" 1
997 1 78 CYS H 1 130 VAL MG2 . . 6.530 5.176 4.882 5.448 . 0 0 "[ . 1 . 2]" 1
998 1 78 CYS H 1 133 VAL MG1 . . 6.530 4.210 3.858 4.353 . 0 0 "[ . 1 . 2]" 1
999 1 78 CYS H 1 133 VAL MG2 . . 6.530 5.311 5.016 5.507 . 0 0 "[ . 1 . 2]" 1
1000 1 78 CYS HA 1 79 ASP H . . 3.520 2.218 2.161 2.342 . 0 0 "[ . 1 . 2]" 1
1001 1 78 CYS HA 1 101 PHE HA . . 2.740 2.463 2.122 2.797 0.057 17 0 "[ . 1 . 2]" 1
1002 1 78 CYS HA 1 101 PHE HB2 . . 5.500 2.845 2.412 3.248 . 0 0 "[ . 1 . 2]" 1
1003 1 78 CYS HA 1 101 PHE QB . . 5.280 2.065 1.903 2.477 . 0 0 "[ . 1 . 2]" 1
1004 1 78 CYS HA 1 101 PHE HB3 . . 5.500 2.123 1.993 2.569 . 0 0 "[ . 1 . 2]" 1
1005 1 78 CYS HA 1 102 VAL H . . 4.230 3.890 3.521 4.193 . 0 0 "[ . 1 . 2]" 1
1006 1 78 CYS HA 1 133 VAL MG1 . . 6.430 4.071 3.870 4.202 . 0 0 "[ . 1 . 2]" 1
1007 1 78 CYS HA 1 133 VAL QG . . 5.450 3.888 3.675 3.997 . 0 0 "[ . 1 . 2]" 1
1008 1 78 CYS HA 1 133 VAL MG2 . . 6.430 4.936 4.583 5.117 . 0 0 "[ . 1 . 2]" 1
1009 1 78 CYS QB 1 102 VAL H . . 6.380 4.511 4.092 5.058 . 0 0 "[ . 1 . 2]" 1
1010 1 79 ASP H 1 80 LEU H . . 4.970 4.423 4.366 4.475 . 0 0 "[ . 1 . 2]" 1
1011 1 79 ASP H 1 80 LEU HA . . 5.500 5.022 4.749 5.209 . 0 0 "[ . 1 . 2]" 1
1012 1 79 ASP H 1 99 PHE QB . . 6.380 4.407 3.626 4.905 . 0 0 "[ . 1 . 2]" 1
1013 1 79 ASP H 1 100 GLY H . . 3.920 3.876 3.567 4.122 0.202 17 0 "[ . 1 . 2]" 1
1014 1 79 ASP H 1 101 PHE HA . . 4.010 3.313 2.936 3.708 . 0 0 "[ . 1 . 2]" 1
1015 1 79 ASP H 1 101 PHE HB2 . . 5.500 4.791 4.299 5.216 . 0 0 "[ . 1 . 2]" 1
1016 1 79 ASP H 1 101 PHE HB3 . . 5.500 3.860 3.410 4.375 . 0 0 "[ . 1 . 2]" 1
1017 1 79 ASP H 1 102 VAL QG . . 7.620 5.039 4.713 5.428 . 0 0 "[ . 1 . 2]" 1
1018 1 79 ASP H 1 130 VAL MG1 . . 6.530 4.236 4.070 4.415 . 0 0 "[ . 1 . 2]" 1
1019 1 79 ASP H 1 130 VAL QG . . 5.580 3.422 3.239 3.625 . 0 0 "[ . 1 . 2]" 1
1020 1 79 ASP H 1 130 VAL MG2 . . 6.530 3.619 3.371 3.852 . 0 0 "[ . 1 . 2]" 1
1021 1 79 ASP HA 1 80 LEU H . . 3.240 2.410 2.305 2.494 . 0 0 "[ . 1 . 2]" 1
1022 1 79 ASP HA 1 100 GLY H . . 5.500 5.186 4.911 5.448 . 0 0 "[ . 1 . 2]" 1
1023 1 79 ASP HA 1 130 VAL HA . . 3.890 3.963 3.822 4.038 0.148 19 0 "[ . 1 . 2]" 1
1024 1 79 ASP O 1 100 GLY H . . 1.400 2.204 2.001 2.459 1.059 1 20 [+*******-***********] 1
1025 1 79 ASP O 1 100 GLY N . . 2.400 3.133 2.911 3.361 0.961 1 20 [+*********-*********] 1
1026 1 80 LEU H 1 80 LEU HG . . 3.920 3.593 2.758 4.193 0.273 16 0 "[ . 1 . 2]" 1
1027 1 80 LEU H 1 81 ASP H . . 4.570 4.584 4.474 4.659 0.089 14 0 "[ . 1 . 2]" 1
1028 1 80 LEU H 1 99 PHE HA . . 5.160 4.706 4.318 5.047 . 0 0 "[ . 1 . 2]" 1
1029 1 80 LEU H 1 99 PHE QB . . 6.380 3.795 3.414 4.245 . 0 0 "[ . 1 . 2]" 1
1030 1 80 LEU H 1 130 VAL HB . . 5.310 4.051 3.666 4.362 . 0 0 "[ . 1 . 2]" 1
1031 1 80 LEU H 1 130 VAL MG1 . . 6.530 2.138 1.819 2.564 . 0 0 "[ . 1 . 2]" 1
1032 1 80 LEU H 1 130 VAL QG . . 5.950 2.036 1.791 2.331 . 0 0 "[ . 1 . 2]" 1
1033 1 80 LEU H 1 130 VAL MG2 . . 6.530 2.683 2.427 2.883 . 0 0 "[ . 1 . 2]" 1
1034 1 80 LEU HA 1 81 ASP H . . 3.270 2.395 2.286 2.582 . 0 0 "[ . 1 . 2]" 1
1035 1 80 LEU HA 1 99 PHE H . . 4.940 4.613 4.328 4.896 . 0 0 "[ . 1 . 2]" 1
1036 1 80 LEU HA 1 99 PHE HA . . 3.420 1.982 1.534 2.410 . 0 0 "[ . 1 . 2]" 1
1037 1 80 LEU HA 1 100 GLY H . . 3.980 3.137 2.217 3.754 . 0 0 "[ . 1 . 2]" 1
1038 1 80 LEU QB 1 81 ASP H . . 5.450 2.388 2.095 2.635 . 0 0 "[ . 1 . 2]" 1
1039 1 80 LEU QD 1 98 LEU H . . 8.100 3.321 2.911 3.766 . 0 0 "[ . 1 . 2]" 1
1040 1 80 LEU QD 1 99 PHE H . . 8.100 4.081 3.364 4.834 . 0 0 "[ . 1 . 2]" 1
1041 1 80 LEU QD 1 126 ALA HA . . 6.210 3.663 3.214 3.885 . 0 0 "[ . 1 . 2]" 1
1042 1 80 LEU QD 1 127 ALA MB . . 9.130 2.509 2.157 2.767 . 0 0 "[ . 1 . 2]" 1
1043 1 80 LEU QD 1 129 ILE MG . . 7.280 4.351 3.345 4.679 . 0 0 "[ . 1 . 2]" 1
1044 1 80 LEU MD1 1 81 ASP H . . 6.530 3.629 2.653 4.800 . 0 0 "[ . 1 . 2]" 1
1045 1 80 LEU MD1 1 100 GLY H . . 6.530 5.045 4.244 5.710 . 0 0 "[ . 1 . 2]" 1
1046 1 80 LEU MD1 1 126 ALA H . . 6.530 4.479 3.893 5.435 . 0 0 "[ . 1 . 2]" 1
1047 1 80 LEU MD1 1 126 ALA HA . . 6.530 4.205 3.330 4.964 . 0 0 "[ . 1 . 2]" 1
1048 1 80 LEU MD1 1 127 ALA H . . 6.530 2.862 2.086 3.313 . 0 0 "[ . 1 . 2]" 1
1049 1 80 LEU MD1 1 128 ALA H . . 6.530 5.135 4.537 5.644 . 0 0 "[ . 1 . 2]" 1
1050 1 80 LEU MD1 1 129 ILE H . . 6.530 5.306 4.247 5.884 . 0 0 "[ . 1 . 2]" 1
1051 1 80 LEU MD1 1 129 ILE MG . . 7.560 4.990 3.392 5.463 . 0 0 "[ . 1 . 2]" 1
1052 1 80 LEU MD1 1 130 VAL H . . 6.530 4.498 3.245 5.463 . 0 0 "[ . 1 . 2]" 1
1053 1 80 LEU MD2 1 81 ASP H . . 6.530 4.073 3.323 4.591 . 0 0 "[ . 1 . 2]" 1
1054 1 80 LEU MD2 1 100 GLY H . . 6.530 5.323 4.390 5.619 . 0 0 "[ . 1 . 2]" 1
1055 1 80 LEU MD2 1 126 ALA H . . 6.530 4.498 3.737 5.460 . 0 0 "[ . 1 . 2]" 1
1056 1 80 LEU MD2 1 126 ALA HA . . 6.530 4.183 3.589 4.909 . 0 0 "[ . 1 . 2]" 1
1057 1 80 LEU MD2 1 127 ALA H . . 6.530 2.664 2.261 3.144 . 0 0 "[ . 1 . 2]" 1
1058 1 80 LEU MD2 1 128 ALA H . . 6.530 4.818 4.399 5.597 . 0 0 "[ . 1 . 2]" 1
1059 1 80 LEU MD2 1 129 ILE H . . 6.530 5.040 4.271 5.822 . 0 0 "[ . 1 . 2]" 1
1060 1 80 LEU MD2 1 129 ILE MG . . 7.560 4.923 3.918 5.283 . 0 0 "[ . 1 . 2]" 1
1061 1 80 LEU MD2 1 130 VAL H . . 6.530 4.131 3.267 5.249 . 0 0 "[ . 1 . 2]" 1
1062 1 80 LEU HG 1 81 ASP H . . 5.500 4.207 3.236 4.929 . 0 0 "[ . 1 . 2]" 1
1063 1 81 ASP H 1 98 LEU H . . 4.880 4.659 4.195 4.947 0.067 20 0 "[ . 1 . 2]" 1
1064 1 81 ASP H 1 98 LEU QB . . 6.380 5.230 4.062 5.650 . 0 0 "[ . 1 . 2]" 1
1065 1 81 ASP H 1 98 LEU MD1 . . 6.530 4.212 2.673 5.518 . 0 0 "[ . 1 . 2]" 1
1066 1 81 ASP H 1 98 LEU QD . . 6.120 3.349 2.664 4.092 . 0 0 "[ . 1 . 2]" 1
1067 1 81 ASP H 1 98 LEU MD2 . . 6.530 4.157 3.151 5.621 . 0 0 "[ . 1 . 2]" 1
1068 1 81 ASP H 1 99 PHE H . . 5.500 5.028 4.605 5.310 . 0 0 "[ . 1 . 2]" 1
1069 1 81 ASP H 1 99 PHE HA . . 3.830 2.763 2.334 3.250 . 0 0 "[ . 1 . 2]" 1
1070 1 81 ASP H 1 99 PHE QB . . 6.380 3.958 3.473 4.500 . 0 0 "[ . 1 . 2]" 1
1071 1 81 ASP H 1 126 ALA MB . . 6.530 5.290 4.832 5.617 . 0 0 "[ . 1 . 2]" 1
1072 1 81 ASP QB 1 83 GLN H . . 6.280 3.064 2.493 4.059 . 0 0 "[ . 1 . 2]" 1
1073 1 81 ASP QB 1 84 GLU H . . 5.600 3.973 3.312 4.690 . 0 0 "[ . 1 . 2]" 1
1074 1 81 ASP QB 1 85 ARG H . . 5.510 3.320 2.231 4.877 . 0 0 "[ . 1 . 2]" 1
1075 1 81 ASP QB 1 98 LEU H . . 6.380 4.749 4.001 5.451 . 0 0 "[ . 1 . 2]" 1
1076 1 83 GLN H 1 84 GLU H . . 3.140 2.875 2.488 3.516 0.376 17 0 "[ . 1 . 2]" 1
1077 1 83 GLN H 1 84 GLU QG . . 6.380 5.351 4.948 6.105 . 0 0 "[ . 1 . 2]" 1
1078 1 83 GLN H 1 85 ARG H . . 4.450 4.091 3.355 4.675 0.225 8 0 "[ . 1 . 2]" 1
1079 1 83 GLN H 1 85 ARG QG . . 6.380 4.680 3.798 5.877 . 0 0 "[ . 1 . 2]" 1
1080 1 83 GLN HA 1 85 ARG H . . 5.000 4.991 4.649 5.452 0.452 11 0 "[ . 1 . 2]" 1
1081 1 83 GLN QB 1 85 ARG H . . 5.380 3.529 3.058 4.554 . 0 0 "[ . 1 . 2]" 1
1082 1 84 GLU H 1 85 ARG H . . 3.790 2.897 1.984 3.341 . 0 0 "[ . 1 . 2]" 1
1083 1 84 GLU H 1 85 ARG QG . . 6.380 4.338 2.917 4.956 . 0 0 "[ . 1 . 2]" 1
1084 1 85 ARG H 1 85 ARG HB2 . . 3.860 2.460 2.180 4.143 0.283 19 0 "[ . 1 . 2]" 1
1085 1 85 ARG H 1 85 ARG HB3 . . 3.860 3.606 3.495 3.784 . 0 0 "[ . 1 . 2]" 1
1086 1 85 ARG H 1 86 LYS H . . 4.450 4.453 4.299 4.551 0.101 9 0 "[ . 1 . 2]" 1
1087 1 85 ARG H 1 98 LEU QD . . 7.690 3.634 2.639 4.563 . 0 0 "[ . 1 . 2]" 1
1088 1 85 ARG QB 1 86 LYS H . . 3.790 2.163 1.734 2.793 . 0 0 "[ . 1 . 2]" 1
1089 1 85 ARG HB2 1 86 LYS H . . 4.010 3.455 1.739 3.898 . 0 0 "[ . 1 . 2]" 1
1090 1 85 ARG HB3 1 86 LYS H . . 4.010 2.265 1.934 3.361 . 0 0 "[ . 1 . 2]" 1
1091 1 85 ARG QG 1 86 LYS H . . 6.190 3.832 2.706 4.400 . 0 0 "[ . 1 . 2]" 1
1092 1 86 LYS H 1 87 TRP H . . 4.790 4.306 4.122 4.437 . 0 0 "[ . 1 . 2]" 1
1093 1 86 LYS H 1 98 LEU MD1 . . 6.530 4.146 2.788 5.375 . 0 0 "[ . 1 . 2]" 1
1094 1 86 LYS H 1 98 LEU QD . . 6.170 3.282 2.779 4.720 . 0 0 "[ . 1 . 2]" 1
1095 1 86 LYS H 1 98 LEU MD2 . . 6.530 4.220 2.981 5.461 . 0 0 "[ . 1 . 2]" 1
1096 1 86 LYS HA 1 87 TRP H . . 3.480 2.313 2.187 2.505 . 0 0 "[ . 1 . 2]" 1
1097 1 86 LYS HA 1 97 LYS HA . . 2.800 2.723 2.528 2.903 0.103 12 0 "[ . 1 . 2]" 1
1098 1 86 LYS HA 1 98 LEU H . . 4.170 2.776 2.041 3.949 . 0 0 "[ . 1 . 2]" 1
1099 1 86 LYS QB 1 87 TRP H . . 6.250 2.875 2.480 3.228 . 0 0 "[ . 1 . 2]" 1
1100 1 86 LYS QB 1 87 TRP HB2 . . 6.380 5.192 4.878 5.473 . 0 0 "[ . 1 . 2]" 1
1101 1 86 LYS QB 1 87 TRP QB . . 5.900 4.427 3.917 4.744 . 0 0 "[ . 1 . 2]" 1
1102 1 86 LYS QB 1 87 TRP HB3 . . 6.380 4.832 4.126 5.472 . 0 0 "[ . 1 . 2]" 1
1103 1 86 LYS QB 1 96 ALA H . . 6.380 3.009 2.132 3.704 . 0 0 "[ . 1 . 2]" 1
1104 1 86 LYS QD 1 87 TRP H . . 6.380 5.049 3.931 5.494 . 0 0 "[ . 1 . 2]" 1
1105 1 86 LYS QD 1 96 ALA H . . 5.940 4.461 3.116 5.314 . 0 0 "[ . 1 . 2]" 1
1106 1 86 LYS QD 1 97 LYS H . . 6.380 3.949 2.916 4.993 . 0 0 "[ . 1 . 2]" 1
1107 1 86 LYS QG 1 87 TRP H . . 6.380 4.009 2.925 4.562 . 0 0 "[ . 1 . 2]" 1
1108 1 86 LYS QG 1 96 ALA H . . 6.380 4.417 3.145 5.450 . 0 0 "[ . 1 . 2]" 1
1109 1 86 LYS QG 1 98 LEU H . . 6.380 3.894 3.290 5.288 . 0 0 "[ . 1 . 2]" 1
1110 1 87 TRP H 1 87 TRP HB2 . . 4.070 2.704 2.366 3.350 . 0 0 "[ . 1 . 2]" 1
1111 1 87 TRP H 1 87 TRP QB . . 3.820 2.339 2.186 2.767 . 0 0 "[ . 1 . 2]" 1
1112 1 87 TRP H 1 87 TRP HB3 . . 4.070 2.580 2.352 3.010 . 0 0 "[ . 1 . 2]" 1
1113 1 87 TRP H 1 96 ALA H . . 4.010 3.671 2.692 4.207 0.197 16 0 "[ . 1 . 2]" 1
1114 1 87 TRP H 1 96 ALA MB . . 6.530 4.035 3.258 4.708 . 0 0 "[ . 1 . 2]" 1
1115 1 87 TRP H 1 97 LYS HA . . 4.760 3.821 3.365 4.182 . 0 0 "[ . 1 . 2]" 1
1116 1 87 TRP H 1 98 LEU H . . 5.500 3.788 2.897 4.741 . 0 0 "[ . 1 . 2]" 1
1117 1 87 TRP H 1 98 LEU QB . . 6.380 2.646 2.038 4.244 . 0 0 "[ . 1 . 2]" 1
1118 1 87 TRP H 1 98 LEU MD1 . . 6.530 3.413 1.726 5.087 . 0 0 "[ . 1 . 2]" 1
1119 1 87 TRP H 1 98 LEU MD2 . . 6.530 3.588 2.350 5.290 . 0 0 "[ . 1 . 2]" 1
1120 1 87 TRP H 1 98 LEU HG . . 5.500 3.956 2.072 5.175 . 0 0 "[ . 1 . 2]" 1
1121 1 87 TRP H 1 118 ALA MB . . 6.530 3.466 2.956 3.970 . 0 0 "[ . 1 . 2]" 1
1122 1 87 TRP HA 1 98 LEU QD . . 8.100 3.196 1.839 4.727 . 0 0 "[ . 1 . 2]" 1
1123 1 87 TRP HA 1 98 LEU HG . . 5.500 4.727 3.286 5.867 0.367 20 0 "[ . 1 . 2]" 1
1124 1 87 TRP HA 1 118 ALA MB . . 6.530 4.412 4.043 5.012 . 0 0 "[ . 1 . 2]" 1
1125 1 87 TRP QB 1 89 LYS QG . . 7.260 4.745 2.840 5.874 . 0 0 "[ . 1 . 2]" 1
1126 1 87 TRP QB 1 96 ALA MB . . 7.410 3.505 2.748 5.018 . 0 0 "[ . 1 . 2]" 1
1127 1 87 TRP QB 1 98 LEU HG . . 6.380 3.539 1.808 5.052 . 0 0 "[ . 1 . 2]" 1
1128 1 87 TRP HB2 1 89 LYS H . . 5.500 5.131 4.345 5.673 0.173 18 0 "[ . 1 . 2]" 1
1129 1 87 TRP HB2 1 96 ALA H . . 5.500 5.507 5.145 5.800 0.300 18 0 "[ . 1 . 2]" 1
1130 1 87 TRP HB3 1 89 LYS H . . 5.500 3.900 2.913 4.929 . 0 0 "[ . 1 . 2]" 1
1131 1 87 TRP HB3 1 96 ALA H . . 5.500 4.249 3.478 5.301 . 0 0 "[ . 1 . 2]" 1
1132 1 87 TRP HD1 1 89 LYS QG . . 6.380 3.763 1.999 5.584 . 0 0 "[ . 1 . 2]" 1
1133 1 87 TRP HD1 1 96 ALA MB . . 6.530 4.235 3.427 5.737 . 0 0 "[ . 1 . 2]" 1
1134 1 87 TRP HD1 1 118 ALA MB . . 6.530 3.322 2.435 4.728 . 0 0 "[ . 1 . 2]" 1
1135 1 87 TRP HE1 1 89 LYS QB . . 6.380 4.619 2.811 5.749 . 0 0 "[ . 1 . 2]" 1
1136 1 89 LYS H 1 96 ALA MB . . 5.470 4.039 2.900 4.675 . 0 0 "[ . 1 . 2]" 1
1137 1 89 LYS HA 1 91 ASP H . . 4.380 4.161 3.471 4.549 0.169 6 0 "[ . 1 . 2]" 1
1138 1 89 LYS QB 1 91 ASP H . . 5.850 3.941 2.154 5.447 . 0 0 "[ . 1 . 2]" 1
1139 1 89 LYS QG 1 96 ALA H . . 5.540 4.055 2.978 5.078 . 0 0 "[ . 1 . 2]" 1
1140 1 91 ASP H 1 91 ASP HA . . 2.680 2.461 2.273 2.869 0.189 10 0 "[ . 1 . 2]" 1
1141 1 91 ASP H 1 92 GLY H . . 4.910 3.408 2.301 4.350 . 0 0 "[ . 1 . 2]" 1
1142 1 91 ASP H 1 92 GLY QA . . 5.540 4.684 3.853 5.117 . 0 0 "[ . 1 . 2]" 1
1143 1 91 ASP HA 1 92 GLY H . . 3.050 2.472 2.204 3.240 0.190 4 0 "[ . 1 . 2]" 1
1144 1 92 GLY H 1 93 SER H . . 4.420 3.525 2.090 4.487 0.067 14 0 "[ . 1 . 2]" 1
1145 1 92 GLY QA 1 94 GLY H . . 6.380 4.844 3.488 5.790 . 0 0 "[ . 1 . 2]" 1
1146 1 93 SER H 1 94 GLY H . . 5.190 3.451 2.193 4.662 . 0 0 "[ . 1 . 2]" 1
1147 1 94 GLY H 1 95 PRO QD . . 6.380 2.913 1.985 4.321 . 0 0 "[ . 1 . 2]" 1
1148 1 95 PRO HA 1 96 ALA H . . 3.270 2.222 2.093 2.397 . 0 0 "[ . 1 . 2]" 1
1149 1 96 ALA H 1 118 ALA MB . . 6.530 4.276 3.902 4.666 . 0 0 "[ . 1 . 2]" 1
1150 1 96 ALA HA 1 97 LYS H . . 3.140 2.149 2.006 2.227 . 0 0 "[ . 1 . 2]" 1
1151 1 96 ALA HA 1 118 ALA MB . . 6.530 4.620 4.362 4.914 . 0 0 "[ . 1 . 2]" 1
1152 1 96 ALA MB 1 118 ALA H . . 6.530 5.401 4.991 5.678 . 0 0 "[ . 1 . 2]" 1
1153 1 96 ALA MB 1 119 GLU H . . 5.750 3.261 2.774 3.563 . 0 0 "[ . 1 . 2]" 1
1154 1 96 ALA MB 1 120 LEU H . . 6.530 4.908 4.692 5.130 . 0 0 "[ . 1 . 2]" 1
1155 1 97 LYS H 1 97 LYS QE . . 6.380 4.513 2.767 5.503 . 0 0 "[ . 1 . 2]" 1
1156 1 97 LYS H 1 98 LEU H . . 5.500 4.574 4.459 4.679 . 0 0 "[ . 1 . 2]" 1
1157 1 97 LYS H 1 118 ALA MB . . 6.530 5.005 4.317 5.244 . 0 0 "[ . 1 . 2]" 1
1158 1 97 LYS H 1 119 GLU H . . 5.130 4.569 3.855 5.140 0.010 10 0 "[ . 1 . 2]" 1
1159 1 97 LYS H 1 119 GLU QB . . 6.380 4.284 3.253 5.340 . 0 0 "[ . 1 . 2]" 1
1160 1 97 LYS H 1 119 GLU QG . . 6.380 3.874 2.173 5.665 . 0 0 "[ . 1 . 2]" 1
1161 1 97 LYS H 1 126 ALA MB . . 6.530 4.520 4.235 5.006 . 0 0 "[ . 1 . 2]" 1
1162 1 97 LYS HA 1 98 LEU H . . 3.390 2.162 2.037 2.622 . 0 0 "[ . 1 . 2]" 1
1163 1 97 LYS QB 1 98 LEU H . . 5.420 3.145 2.128 3.750 . 0 0 "[ . 1 . 2]" 1
1164 1 97 LYS QB 1 119 GLU H . . 6.380 4.099 3.343 5.116 . 0 0 "[ . 1 . 2]" 1
1165 1 97 LYS QB 1 126 ALA H . . 6.380 3.346 2.903 4.812 . 0 0 "[ . 1 . 2]" 1
1166 1 97 LYS QD 1 98 LEU H . . 6.380 4.522 3.123 5.561 . 0 0 "[ . 1 . 2]" 1
1167 1 97 LYS QD 1 126 ALA H . . 6.380 4.171 1.999 5.369 . 0 0 "[ . 1 . 2]" 1
1168 1 97 LYS QD 1 127 ALA MB . . 5.950 3.399 2.840 4.257 . 0 0 "[ . 1 . 2]" 1
1169 1 97 LYS QE 1 127 ALA MB . . 7.400 4.013 2.503 5.071 . 0 0 "[ . 1 . 2]" 1
1170 1 97 LYS QG 1 98 LEU H . . 6.380 3.299 2.281 4.409 . 0 0 "[ . 1 . 2]" 1
1171 1 98 LEU H 1 98 LEU HG . . 5.500 3.645 1.878 5.137 . 0 0 "[ . 1 . 2]" 1
1172 1 98 LEU H 1 99 PHE H . . 5.500 4.424 4.253 4.516 . 0 0 "[ . 1 . 2]" 1
1173 1 98 LEU H 1 118 ALA MB . . 6.530 4.819 3.892 5.276 . 0 0 "[ . 1 . 2]" 1
1174 1 98 LEU H 1 126 ALA MB . . 6.530 4.084 3.630 4.672 . 0 0 "[ . 1 . 2]" 1
1175 1 98 LEU HA 1 99 PHE H . . 3.210 2.157 2.095 2.219 . 0 0 "[ . 1 . 2]" 1
1176 1 98 LEU HA 1 99 PHE QD . . 3.890 3.055 2.449 3.878 . 0 0 "[ . 1 . 2]" 1
1177 1 98 LEU HA 1 117 PHE H . . 5.500 4.422 4.169 4.681 . 0 0 "[ . 1 . 2]" 1
1178 1 98 LEU HA 1 118 ALA H . . 5.500 4.559 4.426 4.981 . 0 0 "[ . 1 . 2]" 1
1179 1 98 LEU HA 1 118 ALA HA . . 2.830 2.092 1.919 2.653 . 0 0 "[ . 1 . 2]" 1
1180 1 98 LEU HA 1 118 ALA MB . . 5.040 3.382 2.471 3.603 . 0 0 "[ . 1 . 2]" 1
1181 1 98 LEU HA 1 119 GLU H . . 4.940 3.382 2.631 4.066 . 0 0 "[ . 1 . 2]" 1
1182 1 98 LEU QB 1 117 PHE H . . 6.380 3.818 3.010 5.710 . 0 0 "[ . 1 . 2]" 1
1183 1 98 LEU QD 1 99 PHE H . . 8.100 3.243 2.059 3.847 . 0 0 "[ . 1 . 2]" 1
1184 1 98 LEU QD 1 117 PHE H . . 6.180 3.724 2.789 4.760 . 0 0 "[ . 1 . 2]" 1
1185 1 98 LEU QD 1 118 ALA H . . 8.100 5.090 3.705 5.936 . 0 0 "[ . 1 . 2]" 1
1186 1 98 LEU QD 1 119 GLU H . . 8.100 5.278 4.476 5.710 . 0 0 "[ . 1 . 2]" 1
1187 1 98 LEU MD1 1 117 PHE H . . 6.530 4.765 2.798 5.760 . 0 0 "[ . 1 . 2]" 1
1188 1 98 LEU MD2 1 117 PHE H . . 6.530 4.566 3.033 5.781 . 0 0 "[ . 1 . 2]" 1
1189 1 98 LEU HG 1 99 PHE H . . 5.500 4.304 2.786 5.132 . 0 0 "[ . 1 . 2]" 1
1190 1 99 PHE H 1 100 GLY H . . 5.000 4.413 4.261 4.495 . 0 0 "[ . 1 . 2]" 1
1191 1 99 PHE H 1 100 GLY QA . . 5.080 4.560 4.370 4.680 . 0 0 "[ . 1 . 2]" 1
1192 1 99 PHE H 1 116 LEU HA . . 4.510 4.466 4.291 4.777 0.267 14 0 "[ . 1 . 2]" 1
1193 1 99 PHE H 1 116 LEU QB . . 6.380 4.796 4.320 5.179 . 0 0 "[ . 1 . 2]" 1
1194 1 99 PHE H 1 116 LEU QD . . 8.100 4.171 3.811 4.746 . 0 0 "[ . 1 . 2]" 1
1195 1 99 PHE H 1 117 PHE H . . 4.480 2.868 2.620 3.185 . 0 0 "[ . 1 . 2]" 1
1196 1 99 PHE H 1 117 PHE HA . . 4.790 4.714 4.581 4.889 0.099 14 0 "[ . 1 . 2]" 1
1197 1 99 PHE H 1 117 PHE QB . . 6.380 3.507 3.127 3.917 . 0 0 "[ . 1 . 2]" 1
1198 1 99 PHE H 1 117 PHE O . . 1.400 1.755 1.639 1.913 0.513 12 1 "[ . 1 + . 2]" 1
1199 1 99 PHE H 1 118 ALA HA . . 3.980 3.495 3.175 3.787 . 0 0 "[ . 1 . 2]" 1
1200 1 99 PHE H 1 118 ALA MB . . 6.530 4.604 3.814 4.912 . 0 0 "[ . 1 . 2]" 1
1201 1 99 PHE H 1 119 GLU H . . 5.280 4.855 4.343 5.234 . 0 0 "[ . 1 . 2]" 1
1202 1 99 PHE HA 1 100 GLY H . . 3.610 2.259 2.184 2.353 . 0 0 "[ . 1 . 2]" 1
1203 1 99 PHE HA 1 117 PHE H . . 4.940 4.786 4.621 4.939 . 0 0 "[ . 1 . 2]" 1
1204 1 99 PHE HA 1 126 ALA MB . . 6.280 4.317 3.833 4.704 . 0 0 "[ . 1 . 2]" 1
1205 1 99 PHE QB 1 126 ALA HA . . 5.700 4.191 3.617 4.813 . 0 0 "[ . 1 . 2]" 1
1206 1 99 PHE QE 1 119 GLU HA . . 7.620 3.676 2.881 4.564 . 0 0 "[ . 1 . 2]" 1
1207 1 99 PHE QE 1 129 ILE MD . . 8.650 4.886 4.551 5.114 . 0 0 "[ . 1 . 2]" 1
1208 1 99 PHE QE 1 129 ILE MG . . 8.150 2.749 2.193 3.084 . 0 0 "[ . 1 . 2]" 1
1209 1 99 PHE HZ 1 129 ILE MD . . 5.810 4.824 4.618 5.037 . 0 0 "[ . 1 . 2]" 1
1210 1 99 PHE HZ 1 129 ILE MG . . 5.260 2.700 2.147 3.313 . 0 0 "[ . 1 . 2]" 1
1211 1 99 PHE N 1 117 PHE O . . 2.400 2.725 2.622 2.847 0.447 12 0 "[ . 1 . 2]" 1
1212 1 99 PHE O 1 117 PHE H . . 1.400 1.924 1.721 2.083 0.683 5 13 "[ ***+ *-1 ** .*****]" 1
1213 1 99 PHE O 1 117 PHE N . . 2.400 2.848 2.689 3.025 0.625 5 5 "[ *+ 1 - .* *]" 1
1214 1 100 GLY H 1 101 PHE H . . 4.540 4.347 4.194 4.405 . 0 0 "[ . 1 . 2]" 1
1215 1 100 GLY H 1 116 LEU HA . . 5.500 4.862 4.516 5.164 . 0 0 "[ . 1 . 2]" 1
1216 1 100 GLY QA 1 115 HIS H . . 6.380 4.200 3.776 4.406 . 0 0 "[ . 1 . 2]" 1
1217 1 100 GLY QA 1 117 PHE H . . 5.670 3.541 3.017 3.834 . 0 0 "[ . 1 . 2]" 1
1218 1 100 GLY HA2 1 101 PHE H . . 3.640 2.210 2.125 2.381 . 0 0 "[ . 1 . 2]" 1
1219 1 100 GLY HA3 1 101 PHE H . . 3.640 2.888 2.566 3.194 . 0 0 "[ . 1 . 2]" 1
1220 1 101 PHE H 1 102 VAL H . . 4.570 4.433 4.385 4.471 . 0 0 "[ . 1 . 2]" 1
1221 1 101 PHE H 1 102 VAL HA . . 4.760 4.966 4.847 5.088 0.328 8 0 "[ . 1 . 2]" 1
1222 1 101 PHE H 1 102 VAL QG . . 7.620 4.667 4.429 5.378 . 0 0 "[ . 1 . 2]" 1
1223 1 101 PHE H 1 114 CYS HA . . 4.850 3.848 3.440 4.409 . 0 0 "[ . 1 . 2]" 1
1224 1 101 PHE H 1 115 HIS H . . 3.270 3.033 2.677 3.239 . 0 0 "[ . 1 . 2]" 1
1225 1 101 PHE H 1 115 HIS HA . . 4.970 4.959 4.722 5.119 0.149 19 0 "[ . 1 . 2]" 1
1226 1 101 PHE H 1 115 HIS QB . . 6.380 3.516 3.149 3.870 . 0 0 "[ . 1 . 2]" 1
1227 1 101 PHE H 1 115 HIS O . . 1.400 2.378 1.880 2.619 1.219 11 19 "[*****-****+* *******]" 1
1228 1 101 PHE H 1 116 LEU HA . . 4.790 4.407 3.707 4.750 . 0 0 "[ . 1 . 2]" 1
1229 1 101 PHE H 1 116 LEU MD1 . . 6.530 4.378 3.698 5.496 . 0 0 "[ . 1 . 2]" 1
1230 1 101 PHE H 1 116 LEU MD2 . . 6.530 4.660 3.950 5.103 . 0 0 "[ . 1 . 2]" 1
1231 1 101 PHE HA 1 133 VAL QG . . 8.090 5.571 5.341 5.828 . 0 0 "[ . 1 . 2]" 1
1232 1 101 PHE QB 1 102 VAL H . . 3.820 2.551 2.369 2.705 . 0 0 "[ . 1 . 2]" 1
1233 1 101 PHE HB2 1 102 VAL H . . 3.980 2.591 2.396 2.752 . 0 0 "[ . 1 . 2]" 1
1234 1 101 PHE HB3 1 102 VAL H . . 3.980 3.821 3.712 3.978 . 0 0 "[ . 1 . 2]" 1
1235 1 101 PHE QD 1 103 ALA HA . . 7.620 3.788 3.579 3.969 . 0 0 "[ . 1 . 2]" 1
1236 1 101 PHE QD 1 103 ALA MB . . 7.630 2.661 2.345 2.947 . 0 0 "[ . 1 . 2]" 1
1237 1 101 PHE QD 1 117 PHE HZ . . 7.620 6.000 5.104 6.521 . 0 0 "[ . 1 . 2]" 1
1238 1 101 PHE QE 1 117 PHE HZ . . 7.090 3.964 3.174 4.427 . 0 0 "[ . 1 . 2]" 1
1239 1 101 PHE HZ 1 103 ALA MB . . 5.540 4.449 4.242 4.534 . 0 0 "[ . 1 . 2]" 1
1240 1 101 PHE HZ 1 117 PHE HZ . . 4.040 3.769 3.103 4.104 0.064 12 0 "[ . 1 . 2]" 1
1241 1 101 PHE N 1 115 HIS O . . 2.400 3.238 2.835 3.427 1.027 16 18 "[***** ****** **+***-]" 1
1242 1 101 PHE O 1 115 HIS H . . 1.400 2.334 1.930 2.607 1.207 19 20 [************-*****+*] 1
1243 1 101 PHE O 1 115 HIS N . . 2.400 3.164 2.813 3.389 0.989 19 18 "[-*********** *****+2]" 1
1244 1 102 VAL H 1 102 VAL HB . . 3.480 3.198 2.278 3.822 0.342 9 0 "[ . 1 . 2]" 1
1245 1 102 VAL H 1 103 ALA MB . . 6.530 5.047 4.726 5.210 . 0 0 "[ . 1 . 2]" 1
1246 1 102 VAL H 1 114 CYS HA . . 5.190 4.708 4.349 4.897 . 0 0 "[ . 1 . 2]" 1
1247 1 102 VAL HA 1 103 ALA H . . 3.110 2.113 1.939 2.241 . 0 0 "[ . 1 . 2]" 1
1248 1 102 VAL HA 1 113 VAL H . . 5.500 4.420 4.051 4.673 . 0 0 "[ . 1 . 2]" 1
1249 1 102 VAL HA 1 114 CYS HA . . 5.040 2.722 2.202 3.089 . 0 0 "[ . 1 . 2]" 1
1250 1 102 VAL HA 1 115 HIS H . . 4.380 4.209 3.722 4.531 0.151 5 0 "[ . 1 . 2]" 1
1251 1 102 VAL HB 1 103 ALA H . . 4.880 3.923 3.403 4.520 . 0 0 "[ . 1 . 2]" 1
1252 1 102 VAL QG 1 103 ALA H . . 7.620 3.257 2.820 3.713 . 0 0 "[ . 1 . 2]" 1
1253 1 102 VAL QG 1 112 ASN H . . 7.620 5.073 4.462 5.581 . 0 0 "[ . 1 . 2]" 1
1254 1 102 VAL QG 1 113 VAL H . . 7.620 4.300 3.404 5.158 . 0 0 "[ . 1 . 2]" 1
1255 1 102 VAL QG 1 114 CYS H . . 7.620 4.313 3.357 4.910 . 0 0 "[ . 1 . 2]" 1
1256 1 102 VAL QG 1 114 CYS HA . . 6.630 3.287 2.566 4.029 . 0 0 "[ . 1 . 2]" 1
1257 1 102 VAL QG 1 115 HIS H . . 7.620 4.743 4.116 5.441 . 0 0 "[ . 1 . 2]" 1
1258 1 103 ALA H 1 104 ARG H . . 4.760 4.263 4.161 4.391 . 0 0 "[ . 1 . 2]" 1
1259 1 103 ALA H 1 104 ARG HA . . 5.500 5.226 5.032 5.395 . 0 0 "[ . 1 . 2]" 1
1260 1 103 ALA H 1 112 ASN HA . . 5.500 4.507 4.006 4.918 . 0 0 "[ . 1 . 2]" 1
1261 1 103 ALA H 1 112 ASN HB2 . . 5.500 4.791 2.811 5.570 0.070 20 0 "[ . 1 . 2]" 1
1262 1 103 ALA H 1 112 ASN HB3 . . 5.500 3.785 3.083 5.289 . 0 0 "[ . 1 . 2]" 1
1263 1 103 ALA H 1 113 VAL H . . 2.990 3.037 2.588 3.238 0.248 3 0 "[ . 1 . 2]" 1
1264 1 103 ALA H 1 113 VAL HA . . 5.160 4.822 4.412 4.973 . 0 0 "[ . 1 . 2]" 1
1265 1 103 ALA H 1 113 VAL HB . . 4.940 4.873 3.870 5.302 0.362 18 0 "[ . 1 . 2]" 1
1266 1 103 ALA H 1 113 VAL MG1 . . 6.530 3.479 3.100 3.784 . 0 0 "[ . 1 . 2]" 1
1267 1 103 ALA H 1 113 VAL QG . . 5.920 3.434 3.076 3.718 . 0 0 "[ . 1 . 2]" 1
1268 1 103 ALA H 1 113 VAL MG2 . . 6.530 5.324 4.920 5.543 . 0 0 "[ . 1 . 2]" 1
1269 1 103 ALA H 1 113 VAL O . . 1.400 1.968 1.756 2.319 0.919 17 10 "[* *** *- * ** + 2]" 1
1270 1 103 ALA H 1 114 CYS H . . 4.940 4.921 4.682 5.078 0.138 10 0 "[ . 1 . 2]" 1
1271 1 103 ALA H 1 114 CYS HA . . 3.860 3.534 3.354 3.803 . 0 0 "[ . 1 . 2]" 1
1272 1 103 ALA H 1 115 HIS H . . 5.040 4.355 4.039 4.640 . 0 0 "[ . 1 . 2]" 1
1273 1 103 ALA HA 1 104 ARG H . . 3.270 2.146 2.064 2.254 . 0 0 "[ . 1 . 2]" 1
1274 1 103 ALA HA 1 113 VAL H . . 5.500 4.831 4.346 5.122 . 0 0 "[ . 1 . 2]" 1
1275 1 103 ALA MB 1 105 LYS H . . 6.370 4.004 2.583 5.582 . 0 0 "[ . 1 . 2]" 1
1276 1 103 ALA MB 1 113 VAL H . . 6.120 2.921 2.257 3.455 . 0 0 "[ . 1 . 2]" 1
1277 1 103 ALA MB 1 115 HIS H . . 5.660 4.425 4.267 4.617 . 0 0 "[ . 1 . 2]" 1
1278 1 103 ALA N 1 113 VAL O . . 2.400 2.960 2.757 3.307 0.907 9 11 "[* *** -+* * ** * 2]" 1
1279 1 103 ALA O 1 113 VAL H . . 1.400 2.285 1.619 2.651 1.251 20 18 "[-*********** *.****+]" 1
1280 1 103 ALA O 1 113 VAL N . . 2.400 3.215 2.602 3.625 1.225 20 18 "[-*********** *.****+]" 1
1281 1 104 ARG H 1 104 ARG QB . . 3.680 2.339 2.120 2.541 . 0 0 "[ . 1 . 2]" 1
1282 1 104 ARG H 1 104 ARG HD2 . . 5.500 4.498 3.906 5.305 . 0 0 "[ . 1 . 2]" 1
1283 1 104 ARG H 1 104 ARG HD3 . . 5.500 5.139 4.587 5.672 0.172 20 0 "[ . 1 . 2]" 1
1284 1 104 ARG HA 1 105 LYS H . . 3.640 2.564 2.098 3.621 . 0 0 "[ . 1 . 2]" 1
1285 1 104 ARG HA 1 112 ASN HB2 . . 4.600 4.468 2.599 4.914 0.314 17 0 "[ . 1 . 2]" 1
1286 1 104 ARG HA 1 112 ASN QB . . 4.330 3.720 2.195 4.252 . 0 0 "[ . 1 . 2]" 1
1287 1 104 ARG HA 1 112 ASN HB3 . . 4.600 4.008 2.366 4.724 0.124 20 0 "[ . 1 . 2]" 1
1288 1 104 ARG QD 1 105 LYS H . . 5.290 4.134 2.146 4.782 . 0 0 "[ . 1 . 2]" 1
1289 1 104 ARG QD 1 105 LYS HA . . 5.700 4.224 3.902 4.932 . 0 0 "[ . 1 . 2]" 1
1290 1 104 ARG HD2 1 105 LYS H . . 5.500 4.845 2.160 5.744 0.244 2 0 "[ . 1 . 2]" 1
1291 1 104 ARG HD3 1 105 LYS H . . 5.500 4.621 3.222 5.322 . 0 0 "[ . 1 . 2]" 1
1292 1 104 ARG QG 1 108 SER H . . 6.380 4.991 2.866 6.004 . 0 0 "[ . 1 . 2]" 1
1293 1 104 ARG QG 1 111 ASP H . . 6.380 5.009 4.035 5.898 . 0 0 "[ . 1 . 2]" 1
1294 1 105 LYS H 1 105 LYS QD . . 5.540 3.923 1.861 4.663 . 0 0 "[ . 1 . 2]" 1
1295 1 105 LYS HA 1 106 GLN H . . 3.270 2.186 2.014 2.327 . 0 0 "[ . 1 . 2]" 1
1296 1 105 LYS QD 1 106 GLN H . . 6.380 4.079 2.094 5.441 . 0 0 "[ . 1 . 2]" 1
1297 1 105 LYS QD 1 108 SER H . . 6.380 5.182 3.457 5.871 . 0 0 "[ . 1 . 2]" 1
1298 1 105 LYS QG 1 106 GLN H . . 6.380 3.922 2.640 4.664 . 0 0 "[ . 1 . 2]" 1
1299 1 108 SER H 1 108 SER HA . . 2.830 2.823 2.269 3.012 0.182 12 0 "[ . 1 . 2]" 1
1300 1 108 SER H 1 111 ASP H . . 4.970 4.738 3.286 5.247 0.277 16 0 "[ . 1 . 2]" 1
1301 1 108 SER HA 1 110 THR H . . 4.850 4.363 3.224 5.140 0.290 2 0 "[ . 1 . 2]" 1
1302 1 110 THR H 1 111 ASP H . . 4.420 2.769 1.846 3.527 . 0 0 "[ . 1 . 2]" 1
1303 1 110 THR HB 1 111 ASP H . . 4.660 4.023 1.883 4.665 0.005 9 0 "[ . 1 . 2]" 1
1304 1 110 THR MG 1 111 ASP H . . 6.530 3.954 2.153 4.462 . 0 0 "[ . 1 . 2]" 1
1305 1 111 ASP H 1 111 ASP HB2 . . 3.760 3.357 2.720 3.849 0.089 12 0 "[ . 1 . 2]" 1
1306 1 111 ASP H 1 111 ASP QB . . 3.560 2.872 2.303 3.267 . 0 0 "[ . 1 . 2]" 1
1307 1 111 ASP H 1 111 ASP HB3 . . 3.760 3.249 2.333 3.936 0.176 13 0 "[ . 1 . 2]" 1
1308 1 111 ASP H 1 112 ASN H . . 4.720 3.810 3.372 4.104 . 0 0 "[ . 1 . 2]" 1
1309 1 111 ASP QB 1 112 ASN H . . 4.270 3.835 3.484 4.046 . 0 0 "[ . 1 . 2]" 1
1310 1 111 ASP HB2 1 112 ASN H . . 4.600 4.347 3.695 4.662 0.062 7 0 "[ . 1 . 2]" 1
1311 1 111 ASP HB3 1 112 ASN H . . 4.600 4.319 3.836 4.546 . 0 0 "[ . 1 . 2]" 1
1312 1 112 ASN H 1 113 VAL HA . . 5.500 5.231 5.019 5.412 . 0 0 "[ . 1 . 2]" 1
1313 1 112 ASN H 1 113 VAL QG . . 8.090 5.346 4.942 5.585 . 0 0 "[ . 1 . 2]" 1
1314 1 112 ASN HA 1 113 VAL H . . 3.270 2.204 2.104 2.286 . 0 0 "[ . 1 . 2]" 1
1315 1 112 ASN QB 1 113 VAL H . . 4.020 2.775 2.450 3.389 . 0 0 "[ . 1 . 2]" 1
1316 1 112 ASN QB 1 113 VAL QG . . 8.970 4.433 4.217 4.662 . 0 0 "[ . 1 . 2]" 1
1317 1 112 ASN HB2 1 113 VAL H . . 4.380 3.791 2.672 4.464 0.084 16 0 "[ . 1 . 2]" 1
1318 1 112 ASN HB3 1 113 VAL H . . 4.380 3.087 2.479 4.179 . 0 0 "[ . 1 . 2]" 1
1319 1 113 VAL H 1 113 VAL HB . . 3.480 2.504 2.153 2.815 . 0 0 "[ . 1 . 2]" 1
1320 1 113 VAL H 1 114 CYS H . . 5.310 4.396 4.265 4.621 . 0 0 "[ . 1 . 2]" 1
1321 1 113 VAL H 1 114 CYS HA . . 5.190 4.972 4.751 5.325 0.135 16 0 "[ . 1 . 2]" 1
1322 1 113 VAL HB 1 114 CYS H . . 4.910 4.523 4.245 4.695 . 0 0 "[ . 1 . 2]" 1
1323 1 113 VAL QG 1 114 CYS H . . 5.650 2.866 2.476 3.201 . 0 0 "[ . 1 . 2]" 1
1324 1 113 VAL QG 1 115 HIS HE1 . . 5.890 3.762 2.138 4.584 . 0 0 "[ . 1 . 2]" 1
1325 1 113 VAL QG 1 116 LEU H . . 8.090 5.461 5.271 5.790 . 0 0 "[ . 1 . 2]" 1
1326 1 113 VAL MG1 1 114 CYS H . . 6.530 3.623 2.877 4.076 . 0 0 "[ . 1 . 2]" 1
1327 1 113 VAL MG1 1 115 HIS H . . 6.530 3.572 3.182 4.387 . 0 0 "[ . 1 . 2]" 1
1328 1 113 VAL MG2 1 114 CYS H . . 6.530 3.041 2.517 3.510 . 0 0 "[ . 1 . 2]" 1
1329 1 113 VAL MG2 1 115 HIS H . . 6.530 5.028 4.440 5.606 . 0 0 "[ . 1 . 2]" 1
1330 1 114 CYS H 1 114 CYS HB2 . . 4.140 2.736 2.213 3.598 . 0 0 "[ . 1 . 2]" 1
1331 1 114 CYS H 1 114 CYS QB . . 3.690 2.444 2.150 3.094 . 0 0 "[ . 1 . 2]" 1
1332 1 114 CYS H 1 114 CYS HB3 . . 4.140 2.813 2.484 3.513 . 0 0 "[ . 1 . 2]" 1
1333 1 114 CYS HA 1 115 HIS H . . 3.390 2.121 2.030 2.180 . 0 0 "[ . 1 . 2]" 1
1334 1 115 HIS H 1 116 LEU MD1 . . 6.530 4.985 4.323 5.403 . 0 0 "[ . 1 . 2]" 1
1335 1 115 HIS H 1 116 LEU MD2 . . 6.530 4.294 3.946 5.202 . 0 0 "[ . 1 . 2]" 1
1336 1 116 LEU H 1 117 PHE H . . 4.380 4.483 4.420 4.554 0.174 19 0 "[ . 1 . 2]" 1
1337 1 116 LEU HA 1 117 PHE H . . 3.420 2.073 1.977 2.181 . 0 0 "[ . 1 . 2]" 1
1338 1 116 LEU HA 1 117 PHE QB . . 4.730 4.125 4.046 4.217 . 0 0 "[ . 1 . 2]" 1
1339 1 116 LEU QB 1 117 PHE H . . 6.380 2.917 2.696 3.110 . 0 0 "[ . 1 . 2]" 1
1340 1 116 LEU QB 1 117 PHE HA . . 4.980 4.113 4.037 4.215 . 0 0 "[ . 1 . 2]" 1
1341 1 116 LEU MD1 1 117 PHE H . . 6.530 3.423 2.760 5.140 . 0 0 "[ . 1 . 2]" 1
1342 1 116 LEU MD2 1 117 PHE H . . 6.530 4.531 3.765 4.865 . 0 0 "[ . 1 . 2]" 1
1343 1 117 PHE H 1 118 ALA H . . 4.450 4.342 4.262 4.411 . 0 0 "[ . 1 . 2]" 1
1344 1 117 PHE H 1 118 ALA MB . . 6.530 5.009 4.560 5.129 . 0 0 "[ . 1 . 2]" 1
1345 1 117 PHE HA 1 118 ALA MB . . 6.530 3.941 3.876 4.001 . 0 0 "[ . 1 . 2]" 1
1346 1 118 ALA H 1 119 GLU H . . 4.690 4.475 4.322 4.578 . 0 0 "[ . 1 . 2]" 1
1347 1 118 ALA HA 1 119 GLU H . . 3.420 2.211 2.165 2.305 . 0 0 "[ . 1 . 2]" 1
1348 1 118 ALA MB 1 120 LEU H . . 6.530 5.091 4.831 5.293 . 0 0 "[ . 1 . 2]" 1
1349 1 119 GLU H 1 120 LEU H . . 5.500 4.582 4.497 4.640 . 0 0 "[ . 1 . 2]" 1
1350 1 119 GLU H 1 126 ALA MB . . 6.530 2.716 2.146 3.130 . 0 0 "[ . 1 . 2]" 1
1351 1 119 GLU HA 1 126 ALA H . . 4.910 4.488 4.130 4.980 0.070 7 0 "[ . 1 . 2]" 1
1352 1 119 GLU HA 1 126 ALA HA . . 4.350 4.406 4.087 4.698 0.348 8 0 "[ . 1 . 2]" 1
1353 1 119 GLU QB 1 126 ALA H . . 6.380 2.222 1.910 2.719 . 0 0 "[ . 1 . 2]" 1
1354 1 119 GLU QB 1 126 ALA HA . . 6.380 3.234 2.615 3.822 . 0 0 "[ . 1 . 2]" 1
1355 1 119 GLU QG 1 120 LEU H . . 6.380 3.848 2.558 4.770 . 0 0 "[ . 1 . 2]" 1
1356 1 119 GLU QG 1 126 ALA H . . 6.380 2.687 1.988 3.688 . 0 0 "[ . 1 . 2]" 1
1357 1 120 LEU H 1 120 LEU HG . . 5.500 4.566 2.832 5.018 . 0 0 "[ . 1 . 2]" 1
1358 1 120 LEU H 1 121 ASP H . . 3.670 2.544 2.239 2.871 . 0 0 "[ . 1 . 2]" 1
1359 1 120 LEU H 1 121 ASP HA . . 5.500 4.870 4.629 5.147 . 0 0 "[ . 1 . 2]" 1
1360 1 120 LEU H 1 121 ASP HB2 . . 5.500 4.220 3.540 4.599 . 0 0 "[ . 1 . 2]" 1
1361 1 120 LEU H 1 121 ASP HB3 . . 5.500 5.566 5.185 5.881 0.381 10 0 "[ . 1 . 2]" 1
1362 1 120 LEU H 1 124 GLN QB . . 6.380 5.474 5.004 5.871 . 0 0 "[ . 1 . 2]" 1
1363 1 121 ASP HA 1 124 GLN H . . 5.380 4.500 4.044 5.169 . 0 0 "[ . 1 . 2]" 1
1364 1 121 ASP QB 1 123 ASP H . . 3.580 2.577 2.126 3.314 . 0 0 "[ . 1 . 2]" 1
1365 1 121 ASP QB 1 124 GLN H . . 5.140 2.470 1.838 3.382 . 0 0 "[ . 1 . 2]" 1
1366 1 121 ASP HB2 1 123 ASP H . . 3.790 3.762 3.042 4.049 0.259 19 0 "[ . 1 . 2]" 1
1367 1 121 ASP HB3 1 123 ASP H . . 3.790 2.714 2.139 3.899 0.109 17 0 "[ . 1 . 2]" 1
1368 1 123 ASP H 1 124 GLN H . . 2.930 2.255 1.976 2.574 . 0 0 "[ . 1 . 2]" 1
1369 1 123 ASP H 1 124 GLN QB . . 4.760 4.045 3.480 4.408 . 0 0 "[ . 1 . 2]" 1
1370 1 123 ASP H 1 124 GLN QG . . 6.380 5.389 4.463 5.992 . 0 0 "[ . 1 . 2]" 1
1371 1 124 GLN H 1 125 PRO HD2 . . 5.500 3.997 3.484 4.527 . 0 0 "[ . 1 . 2]" 1
1372 1 124 GLN H 1 125 PRO HD3 . . 5.500 3.278 2.593 3.980 . 0 0 "[ . 1 . 2]" 1
1373 1 124 GLN HA 1 125 PRO QD . . 3.700 1.955 1.857 2.051 . 0 0 "[ . 1 . 2]" 1
1374 1 124 GLN QB 1 128 ALA MB . . 6.010 4.049 3.501 4.306 . 0 0 "[ . 1 . 2]" 1
1375 1 124 GLN QG 1 125 PRO QD . . 7.260 3.703 3.167 4.050 . 0 0 "[ . 1 . 2]" 1
1376 1 125 PRO QB 1 127 ALA H . . 6.380 2.971 2.737 3.259 . 0 0 "[ . 1 . 2]" 1
1377 1 125 PRO QB 1 128 ALA H . . 6.380 3.082 2.823 3.298 . 0 0 "[ . 1 . 2]" 1
1378 1 125 PRO QD 1 128 ALA MB . . 6.540 2.196 2.026 2.446 . 0 0 "[ . 1 . 2]" 1
1379 1 125 PRO QD 1 129 ILE QG . . 6.210 4.672 4.462 5.016 . 0 0 "[ . 1 . 2]" 1
1380 1 125 PRO HD2 1 129 ILE QG . . 6.380 4.878 4.649 5.264 . 0 0 "[ . 1 . 2]" 1
1381 1 125 PRO HD3 1 129 ILE QG . . 6.380 5.981 5.754 6.317 . 0 0 "[ . 1 . 2]" 1
1382 1 125 PRO QG 1 127 ALA H . . 6.380 4.151 3.900 4.563 . 0 0 "[ . 1 . 2]" 1
1383 1 125 PRO QG 1 128 ALA H . . 6.380 2.222 2.029 2.497 . 0 0 "[ . 1 . 2]" 1
1384 1 126 ALA H 1 127 ALA H . . 3.980 2.891 2.794 3.153 . 0 0 "[ . 1 . 2]" 1
1385 1 126 ALA H 1 127 ALA MB . . 6.530 4.347 4.243 4.642 . 0 0 "[ . 1 . 2]" 1
1386 1 126 ALA H 1 128 ALA H . . 5.500 4.354 4.084 4.585 . 0 0 "[ . 1 . 2]" 1
1387 1 126 ALA H 1 129 ILE H . . 5.500 4.714 4.628 4.788 . 0 0 "[ . 1 . 2]" 1
1388 1 126 ALA HA 1 128 ALA H . . 5.500 4.552 4.200 4.841 . 0 0 "[ . 1 . 2]" 1
1389 1 126 ALA HA 1 129 ILE HB . . 2.860 2.301 2.119 2.495 . 0 0 "[ . 1 . 2]" 1
1390 1 126 ALA MB 1 127 ALA MB . . 7.000 3.881 3.737 4.122 . 0 0 "[ . 1 . 2]" 1
1391 1 126 ALA MB 1 128 ALA H . . 6.530 4.725 4.517 4.922 . 0 0 "[ . 1 . 2]" 1
1392 1 126 ALA MB 1 129 ILE H . . 5.500 4.460 4.263 4.639 . 0 0 "[ . 1 . 2]" 1
1393 1 126 ALA MB 1 129 ILE MG . . 7.560 3.842 3.360 4.497 . 0 0 "[ . 1 . 2]" 1
1394 1 126 ALA MB 1 130 VAL H . . 6.530 4.574 4.290 4.814 . 0 0 "[ . 1 . 2]" 1
1395 1 127 ALA H 1 128 ALA H . . 3.830 3.172 3.057 3.284 . 0 0 "[ . 1 . 2]" 1
1396 1 127 ALA H 1 128 ALA MB . . 6.530 4.775 4.673 4.871 . 0 0 "[ . 1 . 2]" 1
1397 1 127 ALA H 1 129 ILE H . . 5.500 4.245 4.079 4.496 . 0 0 "[ . 1 . 2]" 1
1398 1 127 ALA H 1 130 VAL H . . 5.500 4.630 4.511 4.753 . 0 0 "[ . 1 . 2]" 1
1399 1 127 ALA H 1 130 VAL MG1 . . 6.530 5.426 5.266 5.547 . 0 0 "[ . 1 . 2]" 1
1400 1 127 ALA H 1 130 VAL MG2 . . 6.530 4.931 4.627 5.362 . 0 0 "[ . 1 . 2]" 1
1401 1 127 ALA HA 1 128 ALA MB . . 6.220 5.086 5.060 5.101 . 0 0 "[ . 1 . 2]" 1
1402 1 127 ALA HA 1 129 ILE H . . 5.500 4.332 4.118 4.555 . 0 0 "[ . 1 . 2]" 1
1403 1 127 ALA HA 1 130 VAL H . . 4.350 3.349 3.233 3.454 . 0 0 "[ . 1 . 2]" 1
1404 1 127 ALA HA 1 130 VAL HB . . 3.550 2.463 2.311 2.665 . 0 0 "[ . 1 . 2]" 1
1405 1 127 ALA HA 1 131 ASN H . . 4.510 4.015 3.785 4.292 . 0 0 "[ . 1 . 2]" 1
1406 1 127 ALA MB 1 128 ALA HA . . 5.010 4.050 3.948 4.091 . 0 0 "[ . 1 . 2]" 1
1407 1 127 ALA MB 1 129 ILE H . . 6.530 4.437 4.304 4.676 . 0 0 "[ . 1 . 2]" 1
1408 1 127 ALA MB 1 130 VAL H . . 6.530 4.477 4.405 4.602 . 0 0 "[ . 1 . 2]" 1
1409 1 127 ALA MB 1 130 VAL HB . . 4.510 4.069 3.937 4.213 . 0 0 "[ . 1 . 2]" 1
1410 1 127 ALA MB 1 130 VAL QG . . 8.740 3.976 3.799 4.084 . 0 0 "[ . 1 . 2]" 1
1411 1 127 ALA MB 1 131 ASN H . . 6.530 4.528 4.397 4.697 . 0 0 "[ . 1 . 2]" 1
1412 1 127 ALA MB 1 131 ASN QB . . 6.110 4.013 3.715 4.354 . 0 0 "[ . 1 . 2]" 1
1413 1 128 ALA H 1 129 ILE H . . 3.730 2.677 2.543 2.834 . 0 0 "[ . 1 . 2]" 1
1414 1 128 ALA H 1 129 ILE QG . . 6.380 4.804 4.362 5.319 . 0 0 "[ . 1 . 2]" 1
1415 1 128 ALA H 1 130 VAL H . . 5.250 4.085 3.854 4.395 . 0 0 "[ . 1 . 2]" 1
1416 1 128 ALA H 1 131 ASN H . . 4.760 4.565 4.451 4.680 . 0 0 "[ . 1 . 2]" 1
1417 1 128 ALA HA 1 130 VAL H . . 4.600 4.293 3.978 4.697 0.097 3 0 "[ . 1 . 2]" 1
1418 1 128 ALA HA 1 131 ASN H . . 4.070 3.241 2.943 3.474 . 0 0 "[ . 1 . 2]" 1
1419 1 128 ALA HA 1 131 ASN HB2 . . 3.760 3.026 2.340 3.465 . 0 0 "[ . 1 . 2]" 1
1420 1 128 ALA HA 1 131 ASN QB . . 3.410 2.427 2.171 2.630 . 0 0 "[ . 1 . 2]" 1
1421 1 128 ALA HA 1 131 ASN HB3 . . 3.760 2.605 2.315 2.893 . 0 0 "[ . 1 . 2]" 1
1422 1 128 ALA HA 1 132 PHE H . . 4.260 3.988 3.783 4.183 . 0 0 "[ . 1 . 2]" 1
1423 1 128 ALA MB 1 130 VAL H . . 6.530 4.557 4.359 4.826 . 0 0 "[ . 1 . 2]" 1
1424 1 128 ALA MB 1 131 ASN H . . 6.530 4.470 4.228 4.663 . 0 0 "[ . 1 . 2]" 1
1425 1 128 ALA MB 1 132 PHE H . . 6.530 4.636 4.413 4.838 . 0 0 "[ . 1 . 2]" 1
1426 1 128 ALA MB 1 132 PHE QB . . 7.410 4.215 4.093 4.361 . 0 0 "[ . 1 . 2]" 1
1427 1 129 ILE H 1 130 VAL H . . 3.760 2.537 2.322 2.702 . 0 0 "[ . 1 . 2]" 1
1428 1 129 ILE H 1 130 VAL HB . . 5.500 4.292 4.134 4.549 . 0 0 "[ . 1 . 2]" 1
1429 1 129 ILE H 1 130 VAL MG1 . . 6.530 5.523 5.347 5.738 . 0 0 "[ . 1 . 2]" 1
1430 1 129 ILE H 1 130 VAL MG2 . . 6.530 4.477 4.193 4.780 . 0 0 "[ . 1 . 2]" 1
1431 1 129 ILE H 1 131 ASN H . . 5.250 3.920 3.693 4.078 . 0 0 "[ . 1 . 2]" 1
1432 1 129 ILE HA 1 129 ILE HB . . 2.960 2.885 2.798 2.946 . 0 0 "[ . 1 . 2]" 1
1433 1 129 ILE HA 1 131 ASN H . . 5.000 4.444 4.309 4.616 . 0 0 "[ . 1 . 2]" 1
1434 1 129 ILE HA 1 132 PHE H . . 4.880 3.641 3.378 3.805 . 0 0 "[ . 1 . 2]" 1
1435 1 129 ILE HA 1 132 PHE QB . . 3.710 2.820 2.471 3.170 . 0 0 "[ . 1 . 2]" 1
1436 1 129 ILE HA 1 133 VAL H . . 4.420 3.826 3.564 4.038 . 0 0 "[ . 1 . 2]" 1
1437 1 129 ILE HA 1 133 VAL QG . . 7.060 4.348 4.235 4.532 . 0 0 "[ . 1 . 2]" 1
1438 1 129 ILE HB 1 130 VAL H . . 3.700 3.237 2.989 3.476 . 0 0 "[ . 1 . 2]" 1
1439 1 129 ILE MD 1 130 VAL H . . 6.530 4.761 4.671 4.873 . 0 0 "[ . 1 . 2]" 1
1440 1 129 ILE MD 1 131 ASN H . . 6.530 5.660 5.483 5.804 . 0 0 "[ . 1 . 2]" 1
1441 1 129 ILE MD 1 133 VAL H . . 6.530 4.490 4.017 4.940 . 0 0 "[ . 1 . 2]" 1
1442 1 129 ILE MG 1 130 VAL H . . 6.530 3.183 2.701 3.804 . 0 0 "[ . 1 . 2]" 1
1443 1 129 ILE MG 1 130 VAL HA . . 6.530 3.677 3.409 3.980 . 0 0 "[ . 1 . 2]" 1
1444 1 129 ILE MG 1 130 VAL MG1 . . 7.560 4.887 4.610 5.261 . 0 0 "[ . 1 . 2]" 1
1445 1 129 ILE MG 1 130 VAL MG2 . . 7.560 2.674 2.333 3.131 . 0 0 "[ . 1 . 2]" 1
1446 1 129 ILE MG 1 133 VAL MG1 . . 7.560 3.411 3.104 3.729 . 0 0 "[ . 1 . 2]" 1
1447 1 129 ILE MG 1 133 VAL QG . . 6.770 3.232 2.967 3.516 . 0 0 "[ . 1 . 2]" 1
1448 1 129 ILE MG 1 133 VAL MG2 . . 7.560 4.012 3.693 4.308 . 0 0 "[ . 1 . 2]" 1
1449 1 130 VAL H 1 131 ASN H . . 3.270 2.488 2.253 2.789 . 0 0 "[ . 1 . 2]" 1
1450 1 130 VAL H 1 131 ASN HB2 . . 5.500 4.584 4.065 5.034 . 0 0 "[ . 1 . 2]" 1
1451 1 130 VAL H 1 131 ASN HB3 . . 5.500 4.900 4.464 5.293 . 0 0 "[ . 1 . 2]" 1
1452 1 130 VAL H 1 132 PHE H . . 4.540 3.981 3.749 4.208 . 0 0 "[ . 1 . 2]" 1
1453 1 130 VAL H 1 133 VAL H . . 5.500 4.571 4.368 4.699 . 0 0 "[ . 1 . 2]" 1
1454 1 130 VAL H 1 133 VAL QG . . 8.090 3.858 3.731 4.112 . 0 0 "[ . 1 . 2]" 1
1455 1 130 VAL HA 1 132 PHE H . . 4.850 4.299 4.107 4.503 . 0 0 "[ . 1 . 2]" 1
1456 1 130 VAL HA 1 133 VAL H . . 4.420 3.435 3.086 3.638 . 0 0 "[ . 1 . 2]" 1
1457 1 130 VAL HA 1 133 VAL HB . . 3.520 3.706 3.378 3.865 0.345 9 0 "[ . 1 . 2]" 1
1458 1 130 VAL HA 1 134 SER H . . 4.140 3.716 3.539 3.891 . 0 0 "[ . 1 . 2]" 1
1459 1 130 VAL HB 1 131 ASN H . . 3.670 3.166 3.055 3.407 . 0 0 "[ . 1 . 2]" 1
1460 1 130 VAL QG 1 131 ASN QB . . 8.970 3.912 3.788 4.044 . 0 0 "[ . 1 . 2]" 1
1461 1 130 VAL MG1 1 131 ASN H . . 6.530 3.329 3.120 3.574 . 0 0 "[ . 1 . 2]" 1
1462 1 130 VAL MG1 1 132 PHE H . . 6.530 5.042 4.928 5.208 . 0 0 "[ . 1 . 2]" 1
1463 1 130 VAL MG1 1 133 VAL H . . 6.530 5.142 4.865 5.312 . 0 0 "[ . 1 . 2]" 1
1464 1 130 VAL MG1 1 134 SER H . . 6.530 4.423 4.189 4.641 . 0 0 "[ . 1 . 2]" 1
1465 1 130 VAL MG2 1 131 ASN H . . 6.530 4.247 4.197 4.322 . 0 0 "[ . 1 . 2]" 1
1466 1 130 VAL MG2 1 132 PHE H . . 6.530 5.381 5.270 5.536 . 0 0 "[ . 1 . 2]" 1
1467 1 130 VAL MG2 1 133 VAL H . . 6.530 4.800 4.472 4.969 . 0 0 "[ . 1 . 2]" 1
1468 1 130 VAL MG2 1 134 SER H . . 6.530 5.025 4.810 5.209 . 0 0 "[ . 1 . 2]" 1
1469 1 131 ASN H 1 131 ASN HB2 . . 3.670 2.345 2.087 2.614 . 0 0 "[ . 1 . 2]" 1
1470 1 131 ASN H 1 131 ASN HB3 . . 3.670 2.654 2.397 2.908 . 0 0 "[ . 1 . 2]" 1
1471 1 131 ASN H 1 132 PHE H . . 3.210 2.541 2.431 2.715 . 0 0 "[ . 1 . 2]" 1
1472 1 131 ASN H 1 133 VAL H . . 4.510 4.173 4.018 4.529 0.019 16 0 "[ . 1 . 2]" 1
1473 1 131 ASN H 1 134 SER H . . 4.570 4.767 4.695 4.851 0.281 3 0 "[ . 1 . 2]" 1
1474 1 131 ASN HA 1 133 VAL H . . 4.820 4.931 4.696 5.157 0.337 16 0 "[ . 1 . 2]" 1
1475 1 131 ASN HA 1 134 SER H . . 3.980 3.996 3.848 4.110 0.130 12 0 "[ . 1 . 2]" 1
1476 1 131 ASN HA 1 134 SER QB . . 3.590 3.238 2.798 3.394 . 0 0 "[ . 1 . 2]" 1
1477 1 131 ASN HA 1 135 ARG H . . 5.500 4.253 3.997 4.587 . 0 0 "[ . 1 . 2]" 1
1478 1 131 ASN QB 1 132 PHE H . . 4.200 2.760 2.636 2.935 . 0 0 "[ . 1 . 2]" 1
1479 1 131 ASN HB2 1 132 PHE H . . 4.380 3.842 3.587 4.140 . 0 0 "[ . 1 . 2]" 1
1480 1 131 ASN HB3 1 132 PHE H . . 4.380 2.832 2.697 3.002 . 0 0 "[ . 1 . 2]" 1
1481 1 132 PHE H 1 132 PHE HB2 . . 3.950 2.870 2.695 3.407 . 0 0 "[ . 1 . 2]" 1
1482 1 132 PHE H 1 132 PHE QB . . 3.740 2.080 1.997 2.157 . 0 0 "[ . 1 . 2]" 1
1483 1 132 PHE H 1 132 PHE HB3 . . 3.950 2.138 2.038 2.244 . 0 0 "[ . 1 . 2]" 1
1484 1 132 PHE H 1 133 VAL H . . 3.760 2.600 2.433 2.771 . 0 0 "[ . 1 . 2]" 1
1485 1 132 PHE H 1 133 VAL HB . . 4.230 4.749 4.522 4.985 0.755 8 12 "[****. + 1**-*.* **2]" 1
1486 1 132 PHE H 1 133 VAL MG1 . . 6.530 3.996 3.777 4.255 . 0 0 "[ . 1 . 2]" 1
1487 1 132 PHE H 1 133 VAL MG2 . . 6.530 5.778 5.614 5.930 . 0 0 "[ . 1 . 2]" 1
1488 1 132 PHE H 1 134 SER H . . 3.640 3.966 3.795 4.156 0.516 8 1 "[ . + 1 . 2]" 1
1489 1 132 PHE H 1 135 ARG H . . 4.200 4.434 4.282 4.656 0.456 4 0 "[ . 1 . 2]" 1
1490 1 132 PHE HA 1 134 SER H . . 4.170 4.344 4.194 4.455 0.285 8 0 "[ . 1 . 2]" 1
1491 1 132 PHE HA 1 135 ARG QB . . 3.620 2.467 2.076 3.603 . 0 0 "[ . 1 . 2]" 1
1492 1 132 PHE HA 1 135 ARG QG . . 4.610 3.494 1.655 4.223 . 0 0 "[ . 1 . 2]" 1
1493 1 132 PHE HA 1 136 VAL H . . 5.500 3.820 3.161 4.349 . 0 0 "[ . 1 . 2]" 1
1494 1 132 PHE QB 1 133 VAL H . . 4.330 2.718 2.523 3.165 . 0 0 "[ . 1 . 2]" 1
1495 1 132 PHE QB 1 133 VAL QG . . 7.360 4.218 4.127 4.546 . 0 0 "[ . 1 . 2]" 1
1496 1 132 PHE QB 1 134 SER H . . 5.350 4.769 4.652 4.997 . 0 0 "[ . 1 . 2]" 1
1497 1 132 PHE QB 1 136 VAL QG . . 7.630 4.342 3.739 4.877 . 0 0 "[ . 1 . 2]" 1
1498 1 132 PHE HB2 1 133 VAL H . . 4.510 4.095 3.963 4.218 . 0 0 "[ . 1 . 2]" 1
1499 1 132 PHE HB2 1 134 SER H . . 5.500 5.853 5.729 5.946 0.446 10 0 "[ . 1 . 2]" 1
1500 1 132 PHE HB3 1 133 VAL H . . 4.510 2.762 2.552 3.303 . 0 0 "[ . 1 . 2]" 1
1501 1 132 PHE HB3 1 134 SER H . . 5.500 5.054 4.922 5.401 . 0 0 "[ . 1 . 2]" 1
1502 1 132 PHE QD 1 136 VAL QG . . 9.740 2.878 2.339 3.579 . 0 0 "[ . 1 . 2]" 1
1503 1 132 PHE QE 1 133 VAL QG . . 10.210 4.289 3.143 4.819 . 0 0 "[ . 1 . 2]" 1
1504 1 132 PHE QE 1 136 VAL QG . . 9.740 2.240 1.857 2.538 . 0 0 "[ . 1 . 2]" 1
1505 1 132 PHE HZ 1 133 VAL QG . . 7.680 5.329 3.013 5.635 . 0 0 "[ . 1 . 2]" 1
1506 1 132 PHE HZ 1 136 VAL QG . . 7.620 3.001 2.117 3.498 . 0 0 "[ . 1 . 2]" 1
1507 1 132 PHE O 1 136 VAL H . . 1.400 1.886 1.646 2.380 0.980 17 9 "[****. *1 * - + *]" 1
1508 1 132 PHE O 1 136 VAL N . . 2.400 2.831 2.641 3.210 0.810 17 6 "[ **. -1 * . + *]" 1
1509 1 133 VAL H 1 133 VAL HB . . 3.390 2.308 2.234 2.398 . 0 0 "[ . 1 . 2]" 1
1510 1 133 VAL H 1 134 SER H . . 3.610 2.719 2.619 2.886 . 0 0 "[ . 1 . 2]" 1
1511 1 133 VAL H 1 135 ARG H . . 5.190 4.068 3.978 4.310 . 0 0 "[ . 1 . 2]" 1
1512 1 133 VAL H 1 136 VAL H . . 5.500 4.839 4.644 5.135 . 0 0 "[ . 1 . 2]" 1
1513 1 133 VAL HA 1 136 VAL HB . . 4.140 3.485 2.680 4.377 0.237 10 0 "[ . 1 . 2]" 1
1514 1 133 VAL HB 1 134 SER H . . 5.500 3.984 3.891 4.074 . 0 0 "[ . 1 . 2]" 1
1515 1 133 VAL MG1 1 134 SER H . . 6.530 2.412 2.301 2.613 . 0 0 "[ . 1 . 2]" 1
1516 1 133 VAL MG1 1 135 ARG H . . 6.530 4.490 4.396 4.729 . 0 0 "[ . 1 . 2]" 1
1517 1 133 VAL MG1 1 136 VAL H . . 6.530 5.294 5.112 5.538 . 0 0 "[ . 1 . 2]" 1
1518 1 133 VAL MG1 1 137 MET H . . 6.530 5.475 5.214 5.704 . 0 0 "[ . 1 . 2]" 1
1519 1 133 VAL MG2 1 134 SER H . . 6.530 4.066 4.005 4.161 . 0 0 "[ . 1 . 2]" 1
1520 1 133 VAL MG2 1 135 ARG H . . 6.530 5.492 5.335 5.666 . 0 0 "[ . 1 . 2]" 1
1521 1 133 VAL MG2 1 136 VAL H . . 6.530 5.124 4.895 5.460 . 0 0 "[ . 1 . 2]" 1
1522 1 133 VAL MG2 1 137 MET H . . 6.530 5.057 4.565 5.454 . 0 0 "[ . 1 . 2]" 1
1523 1 134 SER H 1 135 ARG H . . 4.630 2.534 2.432 2.702 . 0 0 "[ . 1 . 2]" 1
1524 1 134 SER H 1 135 ARG QB . . 5.510 4.340 4.064 4.921 . 0 0 "[ . 1 . 2]" 1
1525 1 134 SER H 1 135 ARG QG . . 6.380 5.395 4.311 6.263 . 0 0 "[ . 1 . 2]" 1
1526 1 134 SER H 1 136 VAL H . . 4.140 4.102 3.956 4.328 0.188 5 0 "[ . 1 . 2]" 1
1527 1 134 SER HA 1 136 VAL H . . 4.820 4.421 3.946 4.874 0.054 10 0 "[ . 1 . 2]" 1
1528 1 134 SER HA 1 137 MET H . . 4.170 3.417 2.966 3.765 . 0 0 "[ . 1 . 2]" 1
1529 1 135 ARG H 1 136 VAL H . . 3.520 2.557 2.286 2.817 . 0 0 "[ . 1 . 2]" 1
1530 1 135 ARG H 1 136 VAL HB . . 5.410 4.662 4.235 5.256 . 0 0 "[ . 1 . 2]" 1
1531 1 135 ARG H 1 136 VAL QG . . 7.620 3.999 3.715 4.225 . 0 0 "[ . 1 . 2]" 1
1532 1 135 ARG HA 1 137 MET H . . 4.320 4.138 3.906 4.386 0.066 3 0 "[ . 1 . 2]" 1
1533 1 135 ARG QG 1 136 VAL H . . 6.380 3.831 2.418 4.683 . 0 0 "[ . 1 . 2]" 1
1534 1 136 VAL H 1 137 MET H . . 3.920 2.553 2.299 2.666 . 0 0 "[ . 1 . 2]" 1
1535 1 136 VAL H 1 137 MET QB . . 6.380 4.423 3.976 5.022 . 0 0 "[ . 1 . 2]" 1
1536 1 136 VAL H 1 137 MET QG . . 6.380 5.001 3.792 6.156 . 0 0 "[ . 1 . 2]" 1
1537 1 136 VAL HB 1 137 MET H . . 3.890 3.499 2.885 4.098 0.208 19 0 "[ . 1 . 2]" 1
1538 1 136 VAL QG 1 137 MET H . . 7.620 3.148 2.493 3.634 . 0 0 "[ . 1 . 2]" 1
1539 1 137 MET HA 1 138 LEU H . . 3.420 3.020 2.095 3.585 0.165 6 0 "[ . 1 . 2]" 1
1540 1 138 LEU H 1 138 LEU HG . . 4.260 3.232 1.861 4.285 0.025 18 0 "[ . 1 . 2]" 1
1541 1 138 LEU QB 1 139 GLY H . . 5.790 3.141 1.801 4.038 . 0 0 "[ . 1 . 2]" 1
1542 1 138 LEU QD 1 139 GLY H . . 7.630 3.355 2.157 4.590 . 0 0 "[ . 1 . 2]" 1
1543 1 138 LEU HG 1 139 GLY H . . 5.500 4.082 2.372 4.828 . 0 0 "[ . 1 . 2]" 1
1544 1 141 GLY QA 1 143 LYS H . . 3.870 3.517 3.084 3.680 . 0 0 "[ . 1 . 2]" 1
1545 1 141 GLY QA 1 144 ARG H . . 6.380 5.374 4.839 5.662 . 0 0 "[ . 1 . 2]" 1
1546 1 143 LYS H 1 144 ARG H . . 5.500 4.069 3.714 4.348 . 0 0 "[ . 1 . 2]" 1
1547 1 143 LYS HA 1 144 ARG H . . 3.300 2.173 2.078 2.253 . 0 0 "[ . 1 . 2]" 1
1548 1 143 LYS QG 1 144 ARG H . . 6.380 3.602 2.663 4.490 . 0 0 "[ . 1 . 2]" 1
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