NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
583347 |
2mw1   |
25294 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2mw1
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 1957
_Distance_constraint_stats_list.Viol_count 3778
_Distance_constraint_stats_list.Viol_total 6422.157
_Distance_constraint_stats_list.Viol_max 0.997
_Distance_constraint_stats_list.Viol_rms 0.0396
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0082
_Distance_constraint_stats_list.Viol_average_violations_only 0.0850
_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 5 SER 0.115 0.091 11 0 "[ . 1 . 2]"
1 6 ASP 0.115 0.091 11 0 "[ . 1 . 2]"
1 7 PRO 0.804 0.129 10 0 "[ . 1 . 2]"
1 8 ASP 6.634 0.613 9 2 "[ . +- . 2]"
1 9 GLY 3.071 0.253 14 0 "[ . 1 . 2]"
1 10 LEU 12.744 0.613 9 2 "[ . +- . 2]"
1 11 ALA 4.235 0.198 14 0 "[ . 1 . 2]"
1 12 ASP 1.770 0.096 12 0 "[ . 1 . 2]"
1 13 PRO 3.379 0.573 11 1 "[ . 1+ . 2]"
1 14 MET 10.047 0.573 11 1 "[ . 1+ . 2]"
1 15 LYS 2.639 0.117 4 0 "[ . 1 . 2]"
1 16 TRP 13.065 0.929 3 3 "[* + . * . 2]"
1 17 SER 3.554 0.578 1 1 "[+ . 1 . 2]"
1 18 LYS 3.993 0.101 17 0 "[ . 1 . 2]"
1 19 VAL 6.309 0.108 1 0 "[ . 1 . 2]"
1 20 PRO 12.624 0.831 18 4 "[ * . 1 *. +*2]"
1 21 SER 0.916 0.087 12 0 "[ . 1 . 2]"
1 22 GLY 0.567 0.087 12 0 "[ . 1 . 2]"
1 23 LEU 7.127 0.184 9 0 "[ . 1 . 2]"
1 24 LYS 5.586 0.704 1 2 "[+- . 1 . 2]"
1 25 ASN 3.109 0.704 1 2 "[+- . 1 . 2]"
1 26 GLY 0.641 0.077 9 0 "[ . 1 . 2]"
1 27 GLU 2.946 0.098 6 0 "[ . 1 . 2]"
1 28 LEU 2.175 0.071 4 0 "[ . 1 . 2]"
1 29 LYS 7.736 0.489 18 0 "[ . 1 . 2]"
1 30 VAL 9.308 0.489 18 0 "[ . 1 . 2]"
1 31 GLU 5.581 0.091 9 0 "[ . 1 . 2]"
1 32 ALA 11.772 0.712 8 4 "[ . + 1 ** - 2]"
1 33 GLU 13.575 0.721 13 2 "[ . 1 + * 2]"
1 34 GLY 4.883 0.542 13 1 "[ . 1 + . 2]"
1 35 GLY 3.415 0.089 5 0 "[ . 1 . 2]"
1 36 SER 9.325 0.821 8 8 "[*-**. +** *. 2]"
1 37 SER 22.502 0.831 18 10 "[*-**. *** *. +*2]"
1 38 LEU 12.029 0.997 19 6 "[ * .** 1 - .* +2]"
1 39 PHE 4.914 0.134 19 0 "[ . 1 . 2]"
1 40 ALA 2.038 0.086 4 0 "[ . 1 . 2]"
1 41 CYS 11.556 0.929 3 3 "[* + . - . 2]"
1 42 LYS 3.076 0.578 1 1 "[+ . 1 . 2]"
1 43 ASN 3.138 0.247 1 0 "[ . 1 . 2]"
1 44 TYR 5.575 0.121 19 0 "[ . 1 . 2]"
1 45 LYS 7.982 0.833 3 6 "[ + * * 1 * . -*2]"
1 46 SER 8.081 0.833 3 6 "[ + * * 1 * . -*2]"
1 47 PHE 4.936 0.550 1 2 "[+ . - . 2]"
1 48 TRP 3.210 0.479 10 0 "[ . 1 . 2]"
1 49 ILE 8.037 0.170 5 0 "[ . 1 . 2]"
1 50 SER 4.181 0.213 17 0 "[ . 1 . 2]"
1 51 SER 1.738 0.375 12 0 "[ . 1 . 2]"
1 52 VAL 2.120 0.164 11 0 "[ . 1 . 2]"
1 53 LYS 6.272 0.412 12 0 "[ . 1 . 2]"
1 54 GLU 6.066 0.777 17 3 "[ * 1 - . + 2]"
1 55 GLU 4.676 0.777 17 3 "[ * 1 - . + 2]"
1 56 GLY 2.576 0.400 15 0 "[ . 1 . 2]"
1 57 LYS 4.987 0.109 20 0 "[ . 1 . 2]"
1 58 PHE 9.627 0.412 12 0 "[ . 1 . 2]"
1 59 LYS 7.605 0.556 8 1 "[ . + 1 . 2]"
1 60 GLU 4.527 0.769 3 2 "[ + . - 1 . 2]"
1 61 ASN 4.544 0.769 3 1 "[ + . 1 . 2]"
1 62 THR 6.636 0.718 3 1 "[ + . 1 . 2]"
1 63 SER 3.044 0.439 15 0 "[ . 1 . 2]"
1 64 TYR 3.009 0.149 15 0 "[ . 1 . 2]"
1 65 LYS 1.400 0.088 4 0 "[ . 1 . 2]"
1 66 GLU 2.079 0.439 15 0 "[ . 1 . 2]"
1 67 PHE 5.172 0.128 14 0 "[ . 1 . 2]"
1 68 ASP 7.806 0.689 1 2 "[+- . 1 . 2]"
1 69 GLY 1.523 0.089 20 0 "[ . 1 . 2]"
1 70 GLY 0.408 0.089 20 0 "[ . 1 . 2]"
1 71 TRP 7.544 0.309 15 0 "[ . 1 . 2]"
1 72 TYR 2.315 0.118 2 0 "[ . 1 . 2]"
1 73 LEU 4.675 0.689 1 2 "[+- . 1 . 2]"
1 74 VAL 4.052 0.112 9 0 "[ . 1 . 2]"
1 75 LYS 5.081 0.106 14 0 "[ . 1 . 2]"
1 76 ILE 5.499 0.109 7 0 "[ . 1 . 2]"
1 77 GLU 2.285 0.109 7 0 "[ . 1 . 2]"
1 78 ASP 1.115 0.100 3 0 "[ . 1 . 2]"
1 79 ASN 3.811 0.510 10 1 "[ . + . 2]"
1 80 GLU 3.155 0.123 6 0 "[ . 1 . 2]"
1 81 LEU 3.603 0.109 8 0 "[ . 1 . 2]"
1 82 LYS 9.426 0.997 19 6 "[ * .** 1 - .* +2]"
1 83 VAL 1.480 0.101 6 0 "[ . 1 . 2]"
1 84 ILE 7.331 0.341 14 0 "[ . 1 . 2]"
1 85 ILE 5.152 0.385 19 0 "[ . 1 . 2]"
1 86 ASN 3.387 0.385 19 0 "[ . 1 . 2]"
1 87 ARG 8.732 0.107 11 0 "[ . 1 . 2]"
1 88 ASN 12.208 0.565 6 1 "[ .+ 1 . 2]"
1 89 GLU 1.684 0.097 1 0 "[ . 1 . 2]"
1 90 THR 3.261 0.107 10 0 "[ . 1 . 2]"
1 91 ASN 5.356 0.107 10 0 "[ . 1 . 2]"
1 92 ALA 2.369 0.105 12 0 "[ . 1 . 2]"
1 93 SER 5.581 0.119 8 0 "[ . 1 . 2]"
1 94 ARG 2.218 0.119 8 0 "[ . 1 . 2]"
1 95 SER 2.099 0.101 6 0 "[ . 1 . 2]"
1 96 PHE 6.360 0.102 18 0 "[ . 1 . 2]"
1 97 THR 3.351 0.136 4 0 "[ . 1 . 2]"
1 98 VAL 1.435 0.097 17 0 "[ . 1 . 2]"
1 99 CYS 1.501 0.092 8 0 "[ . 1 . 2]"
1 100 VAL 7.048 0.852 20 2 "[ . 1 . - +]"
1 101 GLU 9.642 0.913 17 2 "[ . 1 . + *]"
1 102 ALA 2.848 0.119 8 0 "[ . 1 . 2]"
1 103 GLY 0.007 0.007 5 0 "[ . 1 . 2]"
1 104 ASN 7.053 0.482 15 0 "[ . 1 . 2]"
1 105 ALA 3.151 0.363 14 0 "[ . 1 . 2]"
1 106 PHE 7.146 0.913 17 2 "[ . 1 . + *]"
1 107 ASP 1.377 0.086 6 0 "[ . 1 . 2]"
1 108 GLU 1.915 0.136 4 0 "[ . 1 . 2]"
1 109 PHE 4.440 0.127 5 0 "[ . 1 . 2]"
1 110 LYS 2.447 0.112 8 0 "[ . 1 . 2]"
1 111 PHE 3.434 0.097 17 0 "[ . 1 . 2]"
1 112 VAL 1.635 0.305 10 0 "[ . 1 . 2]"
1 113 GLN 3.384 0.159 8 0 "[ . 1 . 2]"
1 114 ASP 8.648 0.712 8 2 "[ . + 1 - . 2]"
1 115 ALA 8.028 0.165 1 0 "[ . 1 . 2]"
1 116 ALA 9.028 0.565 6 1 "[ .+ 1 . 2]"
1 117 LYS 6.294 0.112 19 0 "[ . 1 . 2]"
1 118 GLN 4.720 0.585 18 3 "[ . *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 5 SER H 1 5 SER QB . . 3.730 2.860 2.446 3.369 . 0 0 "[ . 1 . 2]" 1
2 1 5 SER HA 1 6 ASP H . . 3.160 2.563 2.106 3.020 . 0 0 "[ . 1 . 2]" 1
3 1 5 SER QB 1 6 ASP H . . 3.850 2.913 2.159 3.941 0.091 11 0 "[ . 1 . 2]" 1
4 1 6 ASP H 1 6 ASP QB . . 3.630 2.621 2.130 3.230 . 0 0 "[ . 1 . 2]" 1
5 1 6 ASP HA 1 7 PRO QD . . 2.750 2.162 1.965 2.303 . 0 0 "[ . 1 . 2]" 1
6 1 6 ASP HA 1 7 PRO QG . . 4.410 4.088 3.953 4.258 . 0 0 "[ . 1 . 2]" 1
7 1 6 ASP QB 1 7 PRO QD . . 4.100 3.196 2.223 3.733 . 0 0 "[ . 1 . 2]" 1
8 1 6 ASP QB 1 9 GLY H . . 4.200 3.066 1.857 4.137 . 0 0 "[ . 1 . 2]" 1
9 1 6 ASP QB 1 9 GLY HA3 . . 5.070 3.339 2.164 4.972 . 0 0 "[ . 1 . 2]" 1
10 1 7 PRO HA 1 9 GLY H . . 5.170 4.536 3.675 5.226 0.056 11 0 "[ . 1 . 2]" 1
11 1 7 PRO HB2 1 8 ASP H . . 3.910 3.275 2.871 3.942 0.032 17 0 "[ . 1 . 2]" 1
12 1 7 PRO HB2 1 9 GLY H . . 5.500 5.228 4.652 5.576 0.076 6 0 "[ . 1 . 2]" 1
13 1 7 PRO QD 1 8 ASP H . . 4.150 2.876 2.583 3.247 . 0 0 "[ . 1 . 2]" 1
14 1 7 PRO QD 1 10 LEU MD2 . . 5.500 4.550 2.061 5.629 0.129 10 0 "[ . 1 . 2]" 1
15 1 7 PRO QG 1 8 ASP H . . 4.110 2.364 1.916 3.055 . 0 0 "[ . 1 . 2]" 1
16 1 8 ASP H 1 8 ASP HB3 . . 3.410 3.380 2.773 3.815 0.405 1 0 "[ . 1 . 2]" 1
17 1 8 ASP H 1 9 GLY H . . 3.360 2.399 1.671 3.420 0.060 9 0 "[ . 1 . 2]" 1
18 1 8 ASP H 1 9 GLY HA2 . . 5.010 4.509 3.976 5.095 0.085 10 0 "[ . 1 . 2]" 1
19 1 8 ASP H 1 10 LEU MD2 . . 4.850 3.462 1.728 4.480 . 0 0 "[ . 1 . 2]" 1
20 1 8 ASP HA 1 8 ASP HB2 . . 3.010 2.778 2.197 3.054 0.044 2 0 "[ . 1 . 2]" 1
21 1 8 ASP HA 1 9 GLY H . . 3.550 3.015 2.353 3.421 . 0 0 "[ . 1 . 2]" 1
22 1 8 ASP HA 1 10 LEU H . . 5.500 4.058 3.089 5.575 0.075 18 0 "[ . 1 . 2]" 1
23 1 8 ASP HB2 1 10 LEU MD2 . . 4.660 4.327 2.135 5.273 0.613 9 2 "[ . +- . 2]" 1
24 1 8 ASP HB3 1 9 GLY H . . 4.560 4.238 3.743 4.523 . 0 0 "[ . 1 . 2]" 1
25 1 9 GLY H 1 10 LEU MD1 . . 5.500 5.236 4.601 5.594 0.094 16 0 "[ . 1 . 2]" 1
26 1 9 GLY H 1 10 LEU HG . . 5.500 4.436 3.506 5.261 . 0 0 "[ . 1 . 2]" 1
27 1 9 GLY HA2 1 10 LEU MD2 . . 5.500 4.158 3.668 4.624 . 0 0 "[ . 1 . 2]" 1
28 1 9 GLY HA3 1 10 LEU H . . 3.430 3.506 3.219 3.683 0.253 14 0 "[ . 1 . 2]" 1
29 1 10 LEU H 1 10 LEU HB2 . . 3.490 3.571 3.547 3.589 0.099 18 0 "[ . 1 . 2]" 1
30 1 10 LEU H 1 10 LEU HB3 . . 3.440 3.093 2.704 3.424 . 0 0 "[ . 1 . 2]" 1
31 1 10 LEU H 1 10 LEU MD1 . . 4.690 3.770 3.601 3.934 . 0 0 "[ . 1 . 2]" 1
32 1 10 LEU H 1 10 LEU MD2 . . 4.680 1.970 1.618 2.340 . 0 0 "[ . 1 . 2]" 1
33 1 10 LEU H 1 10 LEU HG . . 3.100 2.261 1.918 2.720 . 0 0 "[ . 1 . 2]" 1
34 1 10 LEU H 1 11 ALA MB . . 5.500 5.383 4.243 5.603 0.103 9 0 "[ . 1 . 2]" 1
35 1 10 LEU HA 1 10 LEU HB3 . . 2.900 2.299 2.250 2.375 . 0 0 "[ . 1 . 2]" 1
36 1 10 LEU HA 1 10 LEU MD2 . . 3.300 3.416 3.392 3.432 0.132 11 0 "[ . 1 . 2]" 1
37 1 10 LEU HA 1 10 LEU HG . . 3.970 3.676 3.601 3.866 . 0 0 "[ . 1 . 2]" 1
38 1 10 LEU HA 1 11 ALA H . . 2.750 2.659 2.278 2.845 0.095 12 0 "[ . 1 . 2]" 1
39 1 10 LEU HA 1 11 ALA MB . . 4.760 3.970 3.184 4.461 . 0 0 "[ . 1 . 2]" 1
40 1 10 LEU MD1 1 11 ALA MB . . 4.830 4.683 3.843 4.961 0.131 15 0 "[ . 1 . 2]" 1
41 1 10 LEU HG 1 11 ALA H . . 4.060 3.806 3.271 4.134 0.074 14 0 "[ . 1 . 2]" 1
42 1 10 LEU HG 1 12 ASP H . . 5.230 4.925 3.832 5.306 0.076 16 0 "[ . 1 . 2]" 1
43 1 11 ALA H 1 11 ALA MB . . 3.050 2.417 2.131 2.940 . 0 0 "[ . 1 . 2]" 1
44 1 11 ALA H 1 12 ASP HA . . 4.900 4.753 4.267 4.979 0.079 9 0 "[ . 1 . 2]" 1
45 1 11 ALA HA 1 12 ASP H . . 2.720 2.258 2.144 2.732 0.012 12 0 "[ . 1 . 2]" 1
46 1 11 ALA HA 1 12 ASP QB . . 4.450 4.109 3.847 4.347 . 0 0 "[ . 1 . 2]" 1
47 1 11 ALA HA 1 104 ASN HB3 . . 4.530 3.247 2.311 4.614 0.084 14 0 "[ . 1 . 2]" 1
48 1 11 ALA MB 1 12 ASP H . . 3.500 3.329 2.619 3.596 0.096 12 0 "[ . 1 . 2]" 1
49 1 11 ALA MB 1 12 ASP QB . . 5.270 4.760 4.393 4.973 . 0 0 "[ . 1 . 2]" 1
50 1 11 ALA MB 1 104 ASN HB2 . . 3.740 3.643 2.326 3.844 0.104 4 0 "[ . 1 . 2]" 1
51 1 11 ALA MB 1 104 ASN HB3 . . 3.640 2.491 2.012 3.838 0.198 14 0 "[ . 1 . 2]" 1
52 1 11 ALA MB 1 104 ASN HD21 . . 5.130 3.684 2.778 5.201 0.071 12 0 "[ . 1 . 2]" 1
53 1 11 ALA MB 1 104 ASN HD22 . . 4.970 4.659 4.001 5.053 0.083 15 0 "[ . 1 . 2]" 1
54 1 11 ALA MB 1 105 ALA H . . 5.130 4.451 3.863 5.113 . 0 0 "[ . 1 . 2]" 1
55 1 11 ALA MB 1 105 ALA HA . . 4.380 3.525 2.894 4.295 . 0 0 "[ . 1 . 2]" 1
56 1 12 ASP H 1 12 ASP QB . . 3.270 2.207 1.985 2.628 . 0 0 "[ . 1 . 2]" 1
57 1 12 ASP H 1 13 PRO HD2 . . 5.120 4.920 4.845 4.997 . 0 0 "[ . 1 . 2]" 1
58 1 12 ASP H 1 44 TYR QE . . 5.500 5.068 4.289 5.587 0.087 8 0 "[ . 1 . 2]" 1
59 1 12 ASP H 1 105 ALA MB . . 5.290 4.237 3.183 4.736 . 0 0 "[ . 1 . 2]" 1
60 1 12 ASP HA 1 13 PRO HD2 . . 3.120 2.535 2.331 2.802 . 0 0 "[ . 1 . 2]" 1
61 1 12 ASP HA 1 13 PRO HD3 . . 3.060 2.423 2.240 2.610 . 0 0 "[ . 1 . 2]" 1
62 1 12 ASP QB 1 13 PRO HD2 . . 4.040 2.724 2.312 3.055 . 0 0 "[ . 1 . 2]" 1
63 1 12 ASP QB 1 13 PRO HD3 . . 4.200 3.836 3.586 4.040 . 0 0 "[ . 1 . 2]" 1
64 1 12 ASP QB 1 44 TYR QE . . 5.070 4.326 3.926 4.648 . 0 0 "[ . 1 . 2]" 1
65 1 12 ASP QB 1 105 ALA MB . . 5.500 4.566 3.987 5.053 . 0 0 "[ . 1 . 2]" 1
66 1 13 PRO HA 1 14 MET H . . 3.160 2.389 2.050 2.651 . 0 0 "[ . 1 . 2]" 1
67 1 13 PRO HA 1 14 MET HG2 . . 4.800 4.355 3.529 4.865 0.065 16 0 "[ . 1 . 2]" 1
68 1 13 PRO HA 1 14 MET HG3 . . 5.450 3.864 3.237 4.845 . 0 0 "[ . 1 . 2]" 1
69 1 13 PRO HA 1 105 ALA MB . . 4.120 2.638 2.030 3.626 . 0 0 "[ . 1 . 2]" 1
70 1 13 PRO HA 1 106 PHE H . . 5.500 4.008 2.226 5.556 0.056 1 0 "[ . 1 . 2]" 1
71 1 13 PRO HB2 1 14 MET H . . 3.900 2.699 2.255 3.503 . 0 0 "[ . 1 . 2]" 1
72 1 13 PRO HB3 1 14 MET H . . 3.700 3.561 3.390 3.772 0.072 11 0 "[ . 1 . 2]" 1
73 1 13 PRO HG3 1 14 MET H . . 5.040 5.146 4.777 5.613 0.573 11 1 "[ . 1+ . 2]" 1
74 1 14 MET H 1 14 MET HB2 . . 4.050 2.863 2.532 3.660 . 0 0 "[ . 1 . 2]" 1
75 1 14 MET H 1 14 MET HB3 . . 3.990 3.546 2.956 3.737 . 0 0 "[ . 1 . 2]" 1
76 1 14 MET H 1 14 MET ME . . 4.640 4.603 4.174 4.731 0.091 5 0 "[ . 1 . 2]" 1
77 1 14 MET H 1 14 MET HG2 . . 3.660 2.945 1.780 3.437 . 0 0 "[ . 1 . 2]" 1
78 1 14 MET H 1 14 MET HG3 . . 4.340 2.182 1.936 2.926 . 0 0 "[ . 1 . 2]" 1
79 1 14 MET H 1 16 TRP HE1 . . 5.500 4.628 4.106 5.544 0.044 11 0 "[ . 1 . 2]" 1
80 1 14 MET H 1 44 TYR QE . . 4.710 4.183 3.508 4.788 0.078 4 0 "[ . 1 . 2]" 1
81 1 14 MET H 1 105 ALA MB . . 3.740 3.050 2.189 3.815 0.075 10 0 "[ . 1 . 2]" 1
82 1 14 MET H 1 106 PHE H . . 5.500 4.361 3.196 5.291 . 0 0 "[ . 1 . 2]" 1
83 1 14 MET HA 1 14 MET HG3 . . 3.750 3.402 3.053 3.818 0.068 11 0 "[ . 1 . 2]" 1
84 1 14 MET HA 1 15 LYS H . . 3.190 2.251 2.082 2.492 . 0 0 "[ . 1 . 2]" 1
85 1 14 MET HA 1 15 LYS QB . . 5.250 4.225 3.758 4.613 . 0 0 "[ . 1 . 2]" 1
86 1 14 MET HA 1 16 TRP HE1 . . 5.500 5.303 4.809 5.576 0.076 7 0 "[ . 1 . 2]" 1
87 1 14 MET HA 1 43 ASN QD . . 5.010 2.570 1.821 3.725 . 0 0 "[ . 1 . 2]" 1
88 1 14 MET HA 1 44 TYR QD . . 3.270 2.297 1.967 2.671 . 0 0 "[ . 1 . 2]" 1
89 1 14 MET HA 1 44 TYR QE . . 2.990 2.663 2.189 3.081 0.091 6 0 "[ . 1 . 2]" 1
90 1 14 MET HA 1 102 ALA MB . . 5.500 4.916 4.634 5.387 . 0 0 "[ . 1 . 2]" 1
91 1 14 MET HA 1 105 ALA MB . . 5.130 3.851 3.001 4.839 . 0 0 "[ . 1 . 2]" 1
92 1 14 MET HB2 1 16 TRP HE1 . . 4.330 2.755 2.303 3.687 . 0 0 "[ . 1 . 2]" 1
93 1 14 MET HB2 1 16 TRP HZ2 . . 4.090 3.498 2.883 4.176 0.086 11 0 "[ . 1 . 2]" 1
94 1 14 MET HB2 1 44 TYR HB2 . . 5.130 4.933 3.869 5.217 0.087 17 0 "[ . 1 . 2]" 1
95 1 14 MET HB2 1 44 TYR QD . . 4.750 4.076 3.034 4.501 . 0 0 "[ . 1 . 2]" 1
96 1 14 MET HB3 1 15 LYS H . . 4.720 3.341 2.667 4.251 . 0 0 "[ . 1 . 2]" 1
97 1 14 MET HB3 1 44 TYR QD . . 3.470 2.678 2.177 3.167 . 0 0 "[ . 1 . 2]" 1
98 1 14 MET HB3 1 102 ALA MB . . 4.190 4.069 3.222 4.309 0.119 8 0 "[ . 1 . 2]" 1
99 1 14 MET ME 1 16 TRP HH2 . . 3.430 3.109 2.450 3.540 0.110 1 0 "[ . 1 . 2]" 1
100 1 14 MET ME 1 16 TRP HZ2 . . 3.260 2.635 2.075 3.328 0.068 19 0 "[ . 1 . 2]" 1
101 1 14 MET ME 1 16 TRP HZ3 . . 5.110 4.515 3.928 5.188 0.078 19 0 "[ . 1 . 2]" 1
102 1 14 MET ME 1 44 TYR HB2 . . 4.980 2.553 2.182 3.132 . 0 0 "[ . 1 . 2]" 1
103 1 14 MET ME 1 44 TYR QD . . 3.290 3.220 2.295 3.411 0.121 19 0 "[ . 1 . 2]" 1
104 1 14 MET ME 1 47 PHE HB2 . . 4.800 3.004 2.333 3.779 . 0 0 "[ . 1 . 2]" 1
105 1 14 MET ME 1 47 PHE HB3 . . 3.280 2.787 2.443 3.100 . 0 0 "[ . 1 . 2]" 1
106 1 14 MET ME 1 47 PHE QD . . 3.590 3.181 2.618 3.689 0.099 1 0 "[ . 1 . 2]" 1
107 1 14 MET ME 1 48 TRP H . . 5.500 5.103 4.321 5.599 0.099 1 0 "[ . 1 . 2]" 1
108 1 14 MET ME 1 102 ALA HA . . 5.120 4.204 3.679 4.899 . 0 0 "[ . 1 . 2]" 1
109 1 14 MET ME 1 102 ALA MB . . 3.410 2.130 1.830 2.770 . 0 0 "[ . 1 . 2]" 1
110 1 14 MET HG2 1 15 LYS H . . 5.360 4.771 4.269 5.357 . 0 0 "[ . 1 . 2]" 1
111 1 14 MET HG2 1 44 TYR QD . . 4.750 3.056 2.233 4.718 . 0 0 "[ . 1 . 2]" 1
112 1 14 MET HG2 1 44 TYR QE . . 4.070 3.281 2.490 4.171 0.101 11 0 "[ . 1 . 2]" 1
113 1 14 MET HG2 1 105 ALA MB . . 3.560 2.506 2.002 3.668 0.108 2 0 "[ . 1 . 2]" 1
114 1 14 MET HG2 1 106 PHE H . . 5.500 4.429 3.201 5.447 . 0 0 "[ . 1 . 2]" 1
115 1 14 MET HG3 1 16 TRP HE1 . . 4.750 4.371 2.852 4.828 0.078 14 0 "[ . 1 . 2]" 1
116 1 14 MET HG3 1 44 TYR QD . . 5.500 4.366 3.665 5.050 . 0 0 "[ . 1 . 2]" 1
117 1 14 MET HG3 1 106 PHE H . . 5.300 3.789 2.893 4.790 . 0 0 "[ . 1 . 2]" 1
118 1 15 LYS H 1 15 LYS QB . . 3.890 2.507 2.204 3.081 . 0 0 "[ . 1 . 2]" 1
119 1 15 LYS H 1 15 LYS QE . . 5.260 4.103 2.948 4.941 . 0 0 "[ . 1 . 2]" 1
120 1 15 LYS H 1 15 LYS QG . . 3.570 3.003 2.183 3.687 0.117 4 0 "[ . 1 . 2]" 1
121 1 15 LYS H 1 16 TRP H . . 5.500 4.331 3.996 4.648 . 0 0 "[ . 1 . 2]" 1
122 1 15 LYS H 1 42 LYS H . . 5.500 4.581 3.758 5.581 0.081 10 0 "[ . 1 . 2]" 1
123 1 15 LYS H 1 43 ASN QB . . 5.500 3.356 1.879 4.766 . 0 0 "[ . 1 . 2]" 1
124 1 15 LYS H 1 43 ASN QD . . 4.100 2.715 2.092 3.335 . 0 0 "[ . 1 . 2]" 1
125 1 15 LYS H 1 44 TYR HB2 . . 5.500 4.883 4.029 5.566 0.066 5 0 "[ . 1 . 2]" 1
126 1 15 LYS H 1 44 TYR QD . . 3.470 3.363 3.038 3.563 0.093 10 0 "[ . 1 . 2]" 1
127 1 15 LYS H 1 44 TYR QE . . 4.550 4.354 3.655 4.644 0.094 1 0 "[ . 1 . 2]" 1
128 1 15 LYS HA 1 15 LYS QD . . 5.050 4.043 3.804 4.487 . 0 0 "[ . 1 . 2]" 1
129 1 15 LYS HA 1 15 LYS QG . . 3.390 2.476 1.980 3.355 . 0 0 "[ . 1 . 2]" 1
130 1 15 LYS HA 1 16 TRP H . . 2.890 2.114 1.807 2.336 . 0 0 "[ . 1 . 2]" 1
131 1 15 LYS HA 1 16 TRP HB2 . . 4.640 4.361 3.969 4.566 . 0 0 "[ . 1 . 2]" 1
132 1 15 LYS HA 1 16 TRP HD1 . . 3.430 3.133 2.648 3.502 0.072 5 0 "[ . 1 . 2]" 1
133 1 15 LYS HA 1 16 TRP HE1 . . 5.500 4.727 4.119 5.354 . 0 0 "[ . 1 . 2]" 1
134 1 15 LYS QB 1 15 LYS QD . . 2.400 2.296 2.108 2.385 . 0 0 "[ . 1 . 2]" 1
135 1 15 LYS QB 1 15 LYS QE . . 4.510 2.368 1.896 3.677 . 0 0 "[ . 1 . 2]" 1
136 1 15 LYS QB 1 16 TRP H . . 3.820 3.140 2.669 3.629 . 0 0 "[ . 1 . 2]" 1
137 1 15 LYS QB 1 42 LYS H . . 5.140 4.285 3.737 4.905 . 0 0 "[ . 1 . 2]" 1
138 1 15 LYS QB 1 43 ASN QB . . 4.700 2.934 1.946 3.987 . 0 0 "[ . 1 . 2]" 1
139 1 15 LYS QD 1 15 LYS QG . . 2.480 2.031 1.988 2.114 . 0 0 "[ . 1 . 2]" 1
140 1 15 LYS QD 1 43 ASN QD . . 5.500 4.386 2.774 5.215 . 0 0 "[ . 1 . 2]" 1
141 1 15 LYS QE 1 15 LYS QG . . 2.730 2.333 2.112 2.803 0.073 20 0 "[ . 1 . 2]" 1
142 1 15 LYS QE 1 43 ASN QB . . 3.470 3.054 2.018 3.479 0.009 4 0 "[ . 1 . 2]" 1
143 1 15 LYS QE 1 43 ASN QD . . 5.500 3.414 2.181 5.160 . 0 0 "[ . 1 . 2]" 1
144 1 15 LYS QG 1 16 TRP H . . 4.030 3.656 2.342 4.130 0.100 18 0 "[ . 1 . 2]" 1
145 1 16 TRP H 1 16 TRP HB2 . . 3.550 2.562 2.451 2.701 . 0 0 "[ . 1 . 2]" 1
146 1 16 TRP H 1 16 TRP HB3 . . 3.780 3.702 3.605 3.820 0.040 20 0 "[ . 1 . 2]" 1
147 1 16 TRP H 1 16 TRP HD1 . . 3.030 2.671 2.212 3.078 0.048 19 0 "[ . 1 . 2]" 1
148 1 16 TRP H 1 16 TRP HE1 . . 5.500 4.902 4.400 5.245 . 0 0 "[ . 1 . 2]" 1
149 1 16 TRP H 1 19 VAL MG1 . . 5.030 4.083 3.715 4.344 . 0 0 "[ . 1 . 2]" 1
150 1 16 TRP H 1 19 VAL MG2 . . 5.500 5.453 4.830 5.608 0.108 1 0 "[ . 1 . 2]" 1
151 1 16 TRP H 1 41 CYS HA . . 5.500 4.785 4.433 5.159 . 0 0 "[ . 1 . 2]" 1
152 1 16 TRP HA 1 16 TRP HD1 . . 4.910 4.224 4.071 4.377 . 0 0 "[ . 1 . 2]" 1
153 1 16 TRP HA 1 16 TRP HE3 . . 4.370 3.387 3.020 3.765 . 0 0 "[ . 1 . 2]" 1
154 1 16 TRP HA 1 17 SER H . . 3.120 2.249 2.157 2.369 . 0 0 "[ . 1 . 2]" 1
155 1 16 TRP HA 1 17 SER HA . . 5.160 4.507 4.446 4.624 . 0 0 "[ . 1 . 2]" 1
156 1 16 TRP HA 1 18 LYS H . . 4.010 3.737 3.356 4.107 0.097 4 0 "[ . 1 . 2]" 1
157 1 16 TRP HA 1 19 VAL MG1 . . 4.970 4.125 3.932 4.433 . 0 0 "[ . 1 . 2]" 1
158 1 16 TRP HA 1 41 CYS HA . . 3.430 2.225 1.936 2.577 . 0 0 "[ . 1 . 2]" 1
159 1 16 TRP HA 1 41 CYS HB2 . . 4.700 4.662 4.219 4.894 0.194 10 0 "[ . 1 . 2]" 1
160 1 16 TRP HA 1 42 LYS H . . 3.510 2.520 1.901 2.985 . 0 0 "[ . 1 . 2]" 1
161 1 16 TRP HA 1 42 LYS HB2 . . 5.360 4.118 2.973 5.367 0.007 1 0 "[ . 1 . 2]" 1
162 1 16 TRP HA 1 42 LYS HB3 . . 5.320 4.425 3.269 4.969 . 0 0 "[ . 1 . 2]" 1
163 1 16 TRP HA 1 43 ASN H . . 5.100 4.678 4.029 5.176 0.076 10 0 "[ . 1 . 2]" 1
164 1 16 TRP HB2 1 16 TRP HD1 . . 3.210 2.651 2.581 2.729 . 0 0 "[ . 1 . 2]" 1
165 1 16 TRP HB2 1 17 SER H . . 4.730 4.176 3.691 4.468 . 0 0 "[ . 1 . 2]" 1
166 1 16 TRP HB2 1 18 LYS H . . 4.700 4.079 3.806 4.423 . 0 0 "[ . 1 . 2]" 1
167 1 16 TRP HB2 1 19 VAL MG1 . . 3.190 2.148 2.043 2.237 . 0 0 "[ . 1 . 2]" 1
168 1 16 TRP HB2 1 19 VAL MG2 . . 4.210 3.940 3.197 4.205 . 0 0 "[ . 1 . 2]" 1
169 1 16 TRP HB3 1 16 TRP HE3 . . 3.480 2.620 2.532 2.698 . 0 0 "[ . 1 . 2]" 1
170 1 16 TRP HB3 1 17 SER H . . 4.370 3.384 2.664 3.930 . 0 0 "[ . 1 . 2]" 1
171 1 16 TRP HB3 1 18 LYS H . . 4.490 3.066 2.771 3.312 . 0 0 "[ . 1 . 2]" 1
172 1 16 TRP HB3 1 19 VAL HA . . 5.480 4.576 4.222 4.854 . 0 0 "[ . 1 . 2]" 1
173 1 16 TRP HB3 1 19 VAL HB . . 5.340 5.099 4.828 5.373 0.033 4 0 "[ . 1 . 2]" 1
174 1 16 TRP HB3 1 19 VAL MG1 . . 3.240 2.325 2.143 2.620 . 0 0 "[ . 1 . 2]" 1
175 1 16 TRP HB3 1 19 VAL MG2 . . 5.090 4.489 3.820 4.909 . 0 0 "[ . 1 . 2]" 1
176 1 16 TRP HB3 1 39 PHE QD . . 5.500 4.200 3.435 4.883 . 0 0 "[ . 1 . 2]" 1
177 1 16 TRP HB3 1 40 ALA H . . 5.350 3.433 3.045 3.911 . 0 0 "[ . 1 . 2]" 1
178 1 16 TRP HB3 1 41 CYS HA . . 5.040 3.776 3.242 4.289 . 0 0 "[ . 1 . 2]" 1
179 1 16 TRP HB3 1 42 LYS H . . 5.500 4.855 4.090 5.389 . 0 0 "[ . 1 . 2]" 1
180 1 16 TRP HD1 1 19 VAL MG1 . . 3.760 3.759 3.392 3.853 0.093 14 0 "[ . 1 . 2]" 1
181 1 16 TRP HE1 1 100 VAL MG2 . . 5.500 4.799 4.214 5.449 . 0 0 "[ . 1 . 2]" 1
182 1 16 TRP HE1 1 107 ASP HB2 . . 4.650 3.002 2.387 3.588 . 0 0 "[ . 1 . 2]" 1
183 1 16 TRP HE1 1 107 ASP HB3 . . 4.570 2.989 2.057 3.774 . 0 0 "[ . 1 . 2]" 1
184 1 16 TRP HE1 1 109 PHE QE . . 5.090 3.800 3.378 4.226 . 0 0 "[ . 1 . 2]" 1
185 1 16 TRP HE1 1 109 PHE HZ . . 4.290 2.870 2.369 3.546 . 0 0 "[ . 1 . 2]" 1
186 1 16 TRP HE3 1 17 SER H . . 5.310 4.538 4.166 5.082 . 0 0 "[ . 1 . 2]" 1
187 1 16 TRP HE3 1 39 PHE HA . . 5.210 3.609 3.402 4.148 . 0 0 "[ . 1 . 2]" 1
188 1 16 TRP HE3 1 39 PHE HB2 . . 4.940 3.547 2.910 4.003 . 0 0 "[ . 1 . 2]" 1
189 1 16 TRP HE3 1 39 PHE HB3 . . 3.340 2.619 2.323 2.944 . 0 0 "[ . 1 . 2]" 1
190 1 16 TRP HE3 1 39 PHE QD . . 4.500 4.376 3.860 4.570 0.070 13 0 "[ . 1 . 2]" 1
191 1 16 TRP HE3 1 40 ALA H . . 3.310 3.179 2.599 3.391 0.081 16 0 "[ . 1 . 2]" 1
192 1 16 TRP HE3 1 40 ALA MB . . 4.620 4.308 4.125 4.503 . 0 0 "[ . 1 . 2]" 1
193 1 16 TRP HE3 1 41 CYS HA . . 3.610 2.936 2.634 3.506 . 0 0 "[ . 1 . 2]" 1
194 1 16 TRP HE3 1 41 CYS HB2 . . 4.040 3.537 2.965 4.670 0.630 10 2 "[ - . + . 2]" 1
195 1 16 TRP HH2 1 41 CYS HB2 . . 4.650 3.952 3.078 5.096 0.446 3 0 "[ . 1 . 2]" 1
196 1 16 TRP HH2 1 81 LEU HB3 . . 4.220 3.740 2.988 4.291 0.071 11 0 "[ . 1 . 2]" 1
197 1 16 TRP HH2 1 81 LEU QD . . 4.040 3.298 2.310 3.946 . 0 0 "[ . 1 . 2]" 1
198 1 16 TRP HH2 1 100 VAL MG1 . . 4.580 3.874 3.128 4.587 0.007 10 0 "[ . 1 . 2]" 1
199 1 16 TRP HH2 1 100 VAL MG2 . . 3.220 2.629 2.106 3.227 0.007 10 0 "[ . 1 . 2]" 1
200 1 16 TRP HZ2 1 100 VAL MG2 . . 3.060 2.653 2.215 3.171 0.111 1 0 "[ . 1 . 2]" 1
201 1 16 TRP HZ2 1 107 ASP HB2 . . 3.820 3.216 2.440 3.852 0.032 7 0 "[ . 1 . 2]" 1
202 1 16 TRP HZ2 1 107 ASP HB3 . . 3.440 2.728 2.285 3.484 0.044 9 0 "[ . 1 . 2]" 1
203 1 16 TRP HZ2 1 109 PHE QE . . 4.720 3.358 2.622 4.055 . 0 0 "[ . 1 . 2]" 1
204 1 16 TRP HZ2 1 109 PHE HZ . . 4.020 3.398 2.788 4.072 0.052 10 0 "[ . 1 . 2]" 1
205 1 16 TRP HZ3 1 39 PHE HB2 . . 3.940 3.068 2.631 3.396 . 0 0 "[ . 1 . 2]" 1
206 1 16 TRP HZ3 1 39 PHE HB3 . . 3.980 3.282 2.782 3.949 . 0 0 "[ . 1 . 2]" 1
207 1 16 TRP HZ3 1 40 ALA H . . 5.500 4.868 4.317 5.225 . 0 0 "[ . 1 . 2]" 1
208 1 16 TRP HZ3 1 40 ALA HA . . 5.130 4.065 3.440 4.595 . 0 0 "[ . 1 . 2]" 1
209 1 16 TRP HZ3 1 41 CYS H . . 4.940 3.447 2.873 4.178 . 0 0 "[ . 1 . 2]" 1
210 1 16 TRP HZ3 1 41 CYS HB2 . . 3.600 3.075 2.405 4.529 0.929 3 3 "[* + . - . 2]" 1
211 1 16 TRP HZ3 1 81 LEU H . . 3.510 3.220 2.742 3.580 0.070 17 0 "[ . 1 . 2]" 1
212 1 16 TRP HZ3 1 81 LEU HB3 . . 4.290 2.699 2.078 3.296 . 0 0 "[ . 1 . 2]" 1
213 1 16 TRP HZ3 1 81 LEU QD . . 4.380 3.533 2.760 4.208 . 0 0 "[ . 1 . 2]" 1
214 1 17 SER H 1 18 LYS H . . 3.090 2.459 2.228 2.806 . 0 0 "[ . 1 . 2]" 1
215 1 17 SER H 1 18 LYS HA . . 5.200 5.087 4.804 5.273 0.073 14 0 "[ . 1 . 2]" 1
216 1 17 SER H 1 19 VAL MG1 . . 5.500 4.379 3.674 5.152 . 0 0 "[ . 1 . 2]" 1
217 1 17 SER H 1 40 ALA MB . . 4.680 3.384 3.007 3.801 . 0 0 "[ . 1 . 2]" 1
218 1 17 SER H 1 41 CYS HA . . 3.930 3.577 3.175 3.866 . 0 0 "[ . 1 . 2]" 1
219 1 17 SER H 1 42 LYS H . . 4.190 3.093 2.744 3.455 . 0 0 "[ . 1 . 2]" 1
220 1 17 SER H 1 42 LYS HA . . 4.680 4.639 4.218 4.770 0.090 8 0 "[ . 1 . 2]" 1
221 1 17 SER H 1 42 LYS HB2 . . 4.180 3.018 2.335 4.758 0.578 1 1 "[+ . 1 . 2]" 1
222 1 17 SER H 1 42 LYS HB3 . . 4.690 3.879 2.549 4.742 0.052 20 0 "[ . 1 . 2]" 1
223 1 17 SER H 1 43 ASN H . . 5.500 5.541 5.364 5.592 0.092 4 0 "[ . 1 . 2]" 1
224 1 17 SER HA 1 18 LYS QD . . 4.980 4.962 4.629 5.073 0.093 12 0 "[ . 1 . 2]" 1
225 1 17 SER QB 1 18 LYS H . . 4.540 3.526 2.945 3.830 . 0 0 "[ . 1 . 2]" 1
226 1 17 SER QB 1 18 LYS QD . . 4.340 3.937 3.237 4.310 . 0 0 "[ . 1 . 2]" 1
227 1 17 SER QB 1 40 ALA MB . . 4.960 3.497 2.924 3.897 . 0 0 "[ . 1 . 2]" 1
228 1 17 SER QB 1 42 LYS H . . 5.170 4.077 3.273 4.806 . 0 0 "[ . 1 . 2]" 1
229 1 17 SER QB 1 42 LYS HA . . 4.570 4.230 3.926 4.509 . 0 0 "[ . 1 . 2]" 1
230 1 17 SER QB 1 42 LYS HB2 . . 4.120 2.332 1.927 3.353 . 0 0 "[ . 1 . 2]" 1
231 1 17 SER QB 1 42 LYS HB3 . . 4.550 3.178 2.135 4.303 . 0 0 "[ . 1 . 2]" 1
232 1 17 SER QB 1 42 LYS QE . . 5.310 3.770 1.879 4.624 . 0 0 "[ . 1 . 2]" 1
233 1 17 SER QB 1 42 LYS QG . . 4.230 3.198 2.215 3.901 . 0 0 "[ . 1 . 2]" 1
234 1 18 LYS H 1 18 LYS QB . . 3.400 2.748 2.516 2.927 . 0 0 "[ . 1 . 2]" 1
235 1 18 LYS H 1 18 LYS QG . . 4.910 3.993 2.878 4.423 . 0 0 "[ . 1 . 2]" 1
236 1 18 LYS H 1 19 VAL H . . 4.430 3.594 2.170 4.296 . 0 0 "[ . 1 . 2]" 1
237 1 18 LYS H 1 19 VAL MG1 . . 4.860 3.154 2.428 3.810 . 0 0 "[ . 1 . 2]" 1
238 1 18 LYS H 1 19 VAL MG2 . . 5.500 4.293 3.650 4.826 . 0 0 "[ . 1 . 2]" 1
239 1 18 LYS H 1 39 PHE HA . . 5.170 4.169 3.746 4.513 . 0 0 "[ . 1 . 2]" 1
240 1 18 LYS H 1 40 ALA H . . 3.590 2.745 2.457 3.087 . 0 0 "[ . 1 . 2]" 1
241 1 18 LYS H 1 40 ALA MB . . 3.590 2.996 2.494 3.659 0.069 14 0 "[ . 1 . 2]" 1
242 1 18 LYS H 1 41 CYS HA . . 5.440 5.070 4.556 5.384 . 0 0 "[ . 1 . 2]" 1
243 1 18 LYS H 1 42 LYS H . . 5.500 5.364 4.932 5.584 0.084 18 0 "[ . 1 . 2]" 1
244 1 18 LYS HA 1 18 LYS QE . . 2.670 2.566 1.914 2.771 0.101 17 0 "[ . 1 . 2]" 1
245 1 18 LYS HA 1 18 LYS QG . . 3.530 2.450 2.282 2.699 . 0 0 "[ . 1 . 2]" 1
246 1 18 LYS HA 1 19 VAL H . . 2.770 2.383 2.152 2.835 0.065 14 0 "[ . 1 . 2]" 1
247 1 18 LYS HA 1 19 VAL MG2 . . 4.390 3.990 3.513 4.472 0.082 11 0 "[ . 1 . 2]" 1
248 1 18 LYS QB 1 19 VAL H . . 4.040 3.611 2.992 3.953 . 0 0 "[ . 1 . 2]" 1
249 1 18 LYS QB 1 38 LEU MD2 . . 4.730 2.887 2.349 3.369 . 0 0 "[ . 1 . 2]" 1
250 1 18 LYS QB 1 38 LEU HG . . 2.830 2.707 2.340 2.931 0.101 6 0 "[ . 1 . 2]" 1
251 1 18 LYS QB 1 39 PHE HA . . 4.930 3.397 2.827 4.109 . 0 0 "[ . 1 . 2]" 1
252 1 18 LYS QB 1 40 ALA H . . 3.380 2.290 1.934 2.595 . 0 0 "[ . 1 . 2]" 1
253 1 18 LYS QG 1 19 VAL H . . 4.390 3.572 2.854 4.332 . 0 0 "[ . 1 . 2]" 1
254 1 18 LYS QG 1 40 ALA H . . 4.890 4.102 3.462 4.421 . 0 0 "[ . 1 . 2]" 1
255 1 19 VAL H 1 19 VAL MG1 . . 3.840 3.045 2.097 3.610 . 0 0 "[ . 1 . 2]" 1
256 1 19 VAL H 1 19 VAL MG2 . . 3.000 2.475 2.245 2.698 . 0 0 "[ . 1 . 2]" 1
257 1 19 VAL H 1 20 PRO HD2 . . 5.500 4.838 4.647 5.109 . 0 0 "[ . 1 . 2]" 1
258 1 19 VAL H 1 20 PRO HD3 . . 5.160 4.838 4.613 5.057 . 0 0 "[ . 1 . 2]" 1
259 1 19 VAL H 1 40 ALA H . . 5.500 4.707 3.991 5.123 . 0 0 "[ . 1 . 2]" 1
260 1 19 VAL HA 1 19 VAL MG1 . . 3.190 2.362 2.284 2.448 . 0 0 "[ . 1 . 2]" 1
261 1 19 VAL HA 1 20 PRO HD2 . . 3.330 2.404 2.266 2.638 . 0 0 "[ . 1 . 2]" 1
262 1 19 VAL HA 1 20 PRO HD3 . . 3.130 2.391 2.196 2.639 . 0 0 "[ . 1 . 2]" 1
263 1 19 VAL HA 1 20 PRO QG . . 3.940 4.032 4.018 4.047 0.107 10 0 "[ . 1 . 2]" 1
264 1 19 VAL HA 1 39 PHE HA . . 3.510 2.795 2.579 2.990 . 0 0 "[ . 1 . 2]" 1
265 1 19 VAL HA 1 39 PHE QD . . 4.070 3.210 2.732 3.771 . 0 0 "[ . 1 . 2]" 1
266 1 19 VAL HA 1 40 ALA H . . 4.180 4.205 3.865 4.266 0.086 4 0 "[ . 1 . 2]" 1
267 1 19 VAL HB 1 20 PRO HD2 . . 3.140 2.207 2.105 2.339 . 0 0 "[ . 1 . 2]" 1
268 1 19 VAL HB 1 20 PRO HD3 . . 3.770 3.615 3.287 3.819 0.049 6 0 "[ . 1 . 2]" 1
269 1 19 VAL HB 1 39 PHE QD . . 3.840 3.501 3.050 3.933 0.093 10 0 "[ . 1 . 2]" 1
270 1 19 VAL HB 1 39 PHE QE . . 3.670 3.691 3.424 3.754 0.084 4 0 "[ . 1 . 2]" 1
271 1 19 VAL MG1 1 20 PRO HD2 . . 4.200 3.266 2.787 3.535 . 0 0 "[ . 1 . 2]" 1
272 1 19 VAL MG1 1 20 PRO HD3 . . 4.390 4.035 3.594 4.284 . 0 0 "[ . 1 . 2]" 1
273 1 19 VAL MG1 1 39 PHE HA . . 4.380 3.102 2.511 3.920 . 0 0 "[ . 1 . 2]" 1
274 1 19 VAL MG1 1 39 PHE HB3 . . 5.170 3.327 2.828 3.811 . 0 0 "[ . 1 . 2]" 1
275 1 19 VAL MG1 1 39 PHE QD . . 2.810 2.334 2.039 2.756 . 0 0 "[ . 1 . 2]" 1
276 1 19 VAL MG2 1 20 PRO HD2 . . 4.670 3.731 3.392 3.876 . 0 0 "[ . 1 . 2]" 1
277 1 19 VAL MG2 1 20 PRO HD3 . . 5.330 4.618 4.312 4.788 . 0 0 "[ . 1 . 2]" 1
278 1 20 PRO HA 1 21 SER H . . 2.980 2.361 2.152 2.607 . 0 0 "[ . 1 . 2]" 1
279 1 20 PRO HA 1 22 GLY H . . 5.440 4.129 3.594 4.519 . 0 0 "[ . 1 . 2]" 1
280 1 20 PRO HA 1 38 LEU H . . 5.300 4.560 4.158 4.993 . 0 0 "[ . 1 . 2]" 1
281 1 20 PRO QB 1 21 SER H . . 4.110 2.807 2.207 3.416 . 0 0 "[ . 1 . 2]" 1
282 1 20 PRO QB 1 21 SER QB . . 5.190 4.379 3.810 4.699 . 0 0 "[ . 1 . 2]" 1
283 1 20 PRO QB 1 22 GLY H . . 4.950 2.469 1.911 2.839 . 0 0 "[ . 1 . 2]" 1
284 1 20 PRO QB 1 23 LEU H . . 4.150 3.363 3.130 3.496 . 0 0 "[ . 1 . 2]" 1
285 1 20 PRO QB 1 28 LEU QD . . 3.810 3.109 2.671 3.408 . 0 0 "[ . 1 . 2]" 1
286 1 20 PRO QB 1 37 SER HA . . 4.540 3.133 2.778 3.360 . 0 0 "[ . 1 . 2]" 1
287 1 20 PRO QB 1 37 SER HB2 . . 4.180 3.782 2.674 4.816 0.636 18 1 "[ . 1 . + 2]" 1
288 1 20 PRO QB 1 37 SER HB3 . . 5.050 2.760 2.136 3.303 . 0 0 "[ . 1 . 2]" 1
289 1 20 PRO QB 1 38 LEU H . . 4.820 3.323 2.952 3.718 . 0 0 "[ . 1 . 2]" 1
290 1 20 PRO QB 1 39 PHE QE . . 5.120 4.444 4.273 4.661 . 0 0 "[ . 1 . 2]" 1
291 1 20 PRO HD2 1 23 LEU H . . 5.500 4.673 4.237 5.556 0.056 16 0 "[ . 1 . 2]" 1
292 1 20 PRO HD2 1 23 LEU HB2 . . 4.820 3.479 2.744 4.471 . 0 0 "[ . 1 . 2]" 1
293 1 20 PRO HD2 1 23 LEU MD1 . . 4.280 3.390 2.759 4.222 . 0 0 "[ . 1 . 2]" 1
294 1 20 PRO HD2 1 37 SER HB2 . . 5.300 5.194 4.042 6.131 0.831 18 4 "[ * . 1 *. +-2]" 1
295 1 20 PRO HD2 1 39 PHE HA . . 5.020 4.459 3.813 4.899 . 0 0 "[ . 1 . 2]" 1
296 1 20 PRO HD2 1 39 PHE QD . . 3.750 3.100 2.502 3.508 . 0 0 "[ . 1 . 2]" 1
297 1 20 PRO HD2 1 39 PHE QE . . 4.180 2.492 2.202 2.971 . 0 0 "[ . 1 . 2]" 1
298 1 20 PRO HD2 1 39 PHE HZ . . 4.910 3.856 3.372 4.213 . 0 0 "[ . 1 . 2]" 1
299 1 20 PRO HD3 1 37 SER HB2 . . 4.770 4.100 2.792 5.080 0.310 18 0 "[ . 1 . 2]" 1
300 1 20 PRO HD3 1 38 LEU H . . 5.270 3.032 2.281 4.203 . 0 0 "[ . 1 . 2]" 1
301 1 20 PRO HD3 1 39 PHE H . . 5.500 5.022 4.624 5.367 . 0 0 "[ . 1 . 2]" 1
302 1 20 PRO HD3 1 39 PHE HA . . 4.290 3.897 3.482 4.345 0.055 12 0 "[ . 1 . 2]" 1
303 1 20 PRO HD3 1 39 PHE QE . . 3.860 3.334 2.805 3.737 . 0 0 "[ . 1 . 2]" 1
304 1 20 PRO HD3 1 39 PHE HZ . . 5.110 3.944 3.441 4.342 . 0 0 "[ . 1 . 2]" 1
305 1 20 PRO QG 1 21 SER H . . 4.980 4.330 3.939 4.682 . 0 0 "[ . 1 . 2]" 1
306 1 20 PRO QG 1 23 LEU H . . 5.270 2.938 2.474 3.513 . 0 0 "[ . 1 . 2]" 1
307 1 20 PRO QG 1 37 SER H . . 5.500 5.592 5.576 5.605 0.105 9 0 "[ . 1 . 2]" 1
308 1 20 PRO QG 1 37 SER HA . . 4.460 3.923 3.444 4.300 . 0 0 "[ . 1 . 2]" 1
309 1 20 PRO QG 1 37 SER HB2 . . 3.510 2.917 2.068 3.727 0.217 18 0 "[ . 1 . 2]" 1
310 1 20 PRO QG 1 37 SER HB3 . . 4.160 2.299 1.994 2.856 . 0 0 "[ . 1 . 2]" 1
311 1 20 PRO QG 1 38 LEU H . . 4.030 3.732 3.293 4.109 0.079 11 0 "[ . 1 . 2]" 1
312 1 20 PRO QG 1 39 PHE QE . . 3.390 2.765 2.437 2.976 . 0 0 "[ . 1 . 2]" 1
313 1 20 PRO QG 1 39 PHE HZ . . 3.730 2.600 2.327 3.059 . 0 0 "[ . 1 . 2]" 1
314 1 21 SER H 1 21 SER QB . . 3.180 2.474 2.126 2.812 . 0 0 "[ . 1 . 2]" 1
315 1 21 SER H 1 22 GLY H . . 4.240 2.613 1.997 2.886 . 0 0 "[ . 1 . 2]" 1
316 1 21 SER H 1 22 GLY HA2 . . 5.500 5.186 4.693 5.434 . 0 0 "[ . 1 . 2]" 1
317 1 21 SER HA 1 21 SER QB . . 2.730 2.332 2.170 2.466 . 0 0 "[ . 1 . 2]" 1
318 1 21 SER HA 1 23 LEU H . . 4.060 3.890 3.497 4.128 0.068 14 0 "[ . 1 . 2]" 1
319 1 21 SER QB 1 22 GLY H . . 3.070 2.955 2.632 3.157 0.087 12 0 "[ . 1 . 2]" 1
320 1 21 SER QB 1 23 LEU H . . 5.110 4.718 4.533 5.005 . 0 0 "[ . 1 . 2]" 1
321 1 22 GLY H 1 23 LEU H . . 3.490 2.731 2.490 2.953 . 0 0 "[ . 1 . 2]" 1
322 1 22 GLY H 1 23 LEU HB2 . . 5.500 4.957 4.735 5.157 . 0 0 "[ . 1 . 2]" 1
323 1 22 GLY H 1 23 LEU HB3 . . 5.270 4.917 4.542 5.162 . 0 0 "[ . 1 . 2]" 1
324 1 22 GLY H 1 28 LEU QD . . 4.860 3.971 3.451 4.433 . 0 0 "[ . 1 . 2]" 1
325 1 22 GLY HA2 1 28 LEU QD . . 5.500 4.511 3.890 5.050 . 0 0 "[ . 1 . 2]" 1
326 1 22 GLY HA3 1 28 LEU QD . . 4.280 3.412 2.655 4.117 . 0 0 "[ . 1 . 2]" 1
327 1 23 LEU H 1 23 LEU HB2 . . 3.150 2.467 2.374 2.592 . 0 0 "[ . 1 . 2]" 1
328 1 23 LEU H 1 23 LEU HB3 . . 3.100 2.469 2.241 2.676 . 0 0 "[ . 1 . 2]" 1
329 1 23 LEU H 1 23 LEU MD1 . . 4.140 4.210 4.133 4.236 0.096 20 0 "[ . 1 . 2]" 1
330 1 23 LEU H 1 23 LEU HG . . 5.260 4.419 4.377 4.461 . 0 0 "[ . 1 . 2]" 1
331 1 23 LEU H 1 24 LYS H . . 4.450 4.452 4.278 4.533 0.083 6 0 "[ . 1 . 2]" 1
332 1 23 LEU H 1 28 LEU HA . . 5.500 4.511 4.271 4.748 . 0 0 "[ . 1 . 2]" 1
333 1 23 LEU H 1 28 LEU QD . . 3.620 2.919 2.224 3.260 . 0 0 "[ . 1 . 2]" 1
334 1 23 LEU H 1 29 LYS H . . 5.500 5.567 5.386 5.590 0.090 14 0 "[ . 1 . 2]" 1
335 1 23 LEU H 1 39 PHE QE . . 5.500 5.321 4.873 5.581 0.081 16 0 "[ . 1 . 2]" 1
336 1 23 LEU HA 1 23 LEU MD1 . . 3.940 3.298 2.940 3.571 . 0 0 "[ . 1 . 2]" 1
337 1 23 LEU HA 1 23 LEU HG . . 3.980 2.460 2.304 2.653 . 0 0 "[ . 1 . 2]" 1
338 1 23 LEU HA 1 24 LYS H . . 2.900 2.101 1.972 2.216 . 0 0 "[ . 1 . 2]" 1
339 1 23 LEU HA 1 24 LYS HB2 . . 4.730 4.519 4.290 4.914 0.184 9 0 "[ . 1 . 2]" 1
340 1 23 LEU HA 1 27 GLU H . . 4.810 4.442 3.851 4.699 . 0 0 "[ . 1 . 2]" 1
341 1 23 LEU HA 1 28 LEU H . . 5.420 4.889 4.440 5.205 . 0 0 "[ . 1 . 2]" 1
342 1 23 LEU HA 1 28 LEU HA . . 3.710 2.993 2.388 3.408 . 0 0 "[ . 1 . 2]" 1
343 1 23 LEU HA 1 28 LEU HB3 . . 5.040 4.671 4.409 5.076 0.036 17 0 "[ . 1 . 2]" 1
344 1 23 LEU HA 1 28 LEU QD . . 3.030 2.202 1.945 2.574 . 0 0 "[ . 1 . 2]" 1
345 1 23 LEU HB2 1 24 LYS H . . 4.480 4.276 4.128 4.478 . 0 0 "[ . 1 . 2]" 1
346 1 23 LEU HB2 1 28 LEU QD . . 3.160 2.351 2.032 3.008 . 0 0 "[ . 1 . 2]" 1
347 1 23 LEU HB3 1 23 LEU MD1 . . 3.140 2.803 2.639 3.028 . 0 0 "[ . 1 . 2]" 1
348 1 23 LEU HB3 1 24 LYS H . . 4.810 4.309 4.138 4.511 . 0 0 "[ . 1 . 2]" 1
349 1 23 LEU HB3 1 39 PHE QE . . 5.470 4.815 4.144 5.378 . 0 0 "[ . 1 . 2]" 1
350 1 23 LEU MD1 1 24 LYS H . . 4.200 4.283 4.234 4.303 0.103 12 0 "[ . 1 . 2]" 1
351 1 23 LEU MD1 1 26 GLY H . . 5.240 3.294 2.684 3.892 . 0 0 "[ . 1 . 2]" 1
352 1 23 LEU MD1 1 26 GLY HA2 . . 4.360 2.699 2.083 3.480 . 0 0 "[ . 1 . 2]" 1
353 1 23 LEU MD1 1 26 GLY HA3 . . 4.860 4.146 3.637 4.937 0.077 9 0 "[ . 1 . 2]" 1
354 1 23 LEU MD1 1 27 GLU H . . 4.980 4.741 4.232 5.065 0.085 20 0 "[ . 1 . 2]" 1
355 1 23 LEU MD1 1 28 LEU QD . . 2.900 2.116 1.958 2.552 . 0 0 "[ . 1 . 2]" 1
356 1 23 LEU MD1 1 39 PHE QE . . 2.940 2.584 2.044 3.047 0.107 6 0 "[ . 1 . 2]" 1
357 1 23 LEU MD1 1 109 PHE QD . . 3.650 2.875 2.375 3.773 0.123 9 0 "[ . 1 . 2]" 1
358 1 23 LEU MD1 1 109 PHE QE . . 3.480 2.798 2.121 3.578 0.098 9 0 "[ . 1 . 2]" 1
359 1 23 LEU HG 1 24 LYS H . . 3.890 2.837 2.666 3.188 . 0 0 "[ . 1 . 2]" 1
360 1 23 LEU HG 1 24 LYS HA . . 5.230 4.183 3.830 4.560 . 0 0 "[ . 1 . 2]" 1
361 1 23 LEU HG 1 26 GLY H . . 4.530 2.449 1.813 2.978 . 0 0 "[ . 1 . 2]" 1
362 1 23 LEU HG 1 26 GLY HA2 . . 4.670 3.141 2.618 3.763 . 0 0 "[ . 1 . 2]" 1
363 1 23 LEU HG 1 26 GLY HA3 . . 4.960 4.564 4.054 5.017 0.057 9 0 "[ . 1 . 2]" 1
364 1 23 LEU HG 1 27 GLU H . . 4.380 3.908 3.298 4.391 0.011 2 0 "[ . 1 . 2]" 1
365 1 23 LEU HG 1 28 LEU QD . . 3.020 2.830 2.407 3.076 0.056 19 0 "[ . 1 . 2]" 1
366 1 24 LYS H 1 24 LYS HB2 . . 3.430 2.797 2.469 3.489 0.059 9 0 "[ . 1 . 2]" 1
367 1 24 LYS H 1 24 LYS HB3 . . 3.700 3.406 2.629 3.771 0.071 17 0 "[ . 1 . 2]" 1
368 1 24 LYS H 1 25 ASN H . . 5.260 3.937 3.790 4.188 . 0 0 "[ . 1 . 2]" 1
369 1 24 LYS H 1 27 GLU H . . 3.500 3.057 2.637 3.303 . 0 0 "[ . 1 . 2]" 1
370 1 24 LYS H 1 27 GLU HB3 . . 4.210 3.846 3.279 4.270 0.060 12 0 "[ . 1 . 2]" 1
371 1 24 LYS H 1 28 LEU QD . . 3.610 3.285 2.869 3.601 . 0 0 "[ . 1 . 2]" 1
372 1 24 LYS HA 1 25 ASN H . . 3.490 2.210 2.101 2.713 . 0 0 "[ . 1 . 2]" 1
373 1 24 LYS HA 1 25 ASN HB2 . . 4.450 4.217 3.816 4.546 0.096 12 0 "[ . 1 . 2]" 1
374 1 24 LYS HA 1 26 GLY H . . 4.320 4.105 3.765 4.376 0.056 8 0 "[ . 1 . 2]" 1
375 1 24 LYS HA 1 27 GLU H . . 4.980 4.747 4.505 5.033 0.053 16 0 "[ . 1 . 2]" 1
376 1 24 LYS HB2 1 25 ASN HB2 . . 5.360 5.362 4.427 6.064 0.704 1 2 "[+- . 1 . 2]" 1
377 1 25 ASN H 1 26 GLY H . . 4.440 2.970 2.788 3.385 . 0 0 "[ . 1 . 2]" 1
378 1 25 ASN H 1 27 GLU H . . 5.420 4.362 3.974 4.677 . 0 0 "[ . 1 . 2]" 1
379 1 25 ASN HA 1 25 ASN HD22 . . 5.500 3.859 3.458 4.500 . 0 0 "[ . 1 . 2]" 1
380 1 25 ASN HA 1 26 GLY H . . 3.430 2.909 2.518 3.470 0.040 13 0 "[ . 1 . 2]" 1
381 1 25 ASN HA 1 27 GLU H . . 4.860 4.549 4.267 4.942 0.082 13 0 "[ . 1 . 2]" 1
382 1 25 ASN HB2 1 25 ASN HD21 . . 3.540 2.885 2.183 3.619 0.079 19 0 "[ . 1 . 2]" 1
383 1 25 ASN HB2 1 26 GLY H . . 4.720 4.514 4.228 4.655 . 0 0 "[ . 1 . 2]" 1
384 1 25 ASN HB2 1 27 GLU H . . 5.250 4.833 4.062 5.329 0.079 12 0 "[ . 1 . 2]" 1
385 1 25 ASN HB3 1 26 GLY H . . 4.830 4.177 3.130 4.459 . 0 0 "[ . 1 . 2]" 1
386 1 25 ASN HB3 1 27 GLU H . . 5.320 3.907 3.428 4.496 . 0 0 "[ . 1 . 2]" 1
387 1 26 GLY H 1 27 GLU H . . 3.390 2.646 1.583 3.083 . 0 0 "[ . 1 . 2]" 1
388 1 26 GLY H 1 28 LEU QD . . 4.810 4.020 3.630 4.446 . 0 0 "[ . 1 . 2]" 1
389 1 26 GLY HA2 1 28 LEU QD . . 3.860 3.382 2.720 3.783 . 0 0 "[ . 1 . 2]" 1
390 1 26 GLY HA2 1 109 PHE HA . . 5.220 3.662 3.159 4.351 . 0 0 "[ . 1 . 2]" 1
391 1 26 GLY HA2 1 109 PHE QD . . 4.300 2.699 2.221 3.197 . 0 0 "[ . 1 . 2]" 1
392 1 26 GLY HA2 1 110 LYS H . . 5.080 4.445 4.089 5.155 0.075 11 0 "[ . 1 . 2]" 1
393 1 26 GLY HA3 1 27 GLU HB2 . . 5.150 4.942 4.550 5.218 0.068 17 0 "[ . 1 . 2]" 1
394 1 26 GLY HA3 1 28 LEU QD . . 4.580 4.418 3.821 4.616 0.036 12 0 "[ . 1 . 2]" 1
395 1 26 GLY HA3 1 109 PHE QD . . 4.540 3.760 3.004 4.309 . 0 0 "[ . 1 . 2]" 1
396 1 27 GLU H 1 27 GLU HB2 . . 3.190 2.628 2.159 3.014 . 0 0 "[ . 1 . 2]" 1
397 1 27 GLU H 1 27 GLU HB3 . . 3.650 2.729 2.428 3.300 . 0 0 "[ . 1 . 2]" 1
398 1 27 GLU H 1 28 LEU H . . 4.500 4.486 4.220 4.565 0.065 20 0 "[ . 1 . 2]" 1
399 1 27 GLU H 1 28 LEU QD . . 3.860 3.763 3.296 3.916 0.056 15 0 "[ . 1 . 2]" 1
400 1 27 GLU H 1 110 LYS H . . 5.190 4.830 4.437 5.172 . 0 0 "[ . 1 . 2]" 1
401 1 27 GLU HA 1 27 GLU HG3 . . 3.840 2.591 2.260 3.419 . 0 0 "[ . 1 . 2]" 1
402 1 27 GLU HA 1 28 LEU H . . 2.950 2.256 2.135 2.360 . 0 0 "[ . 1 . 2]" 1
403 1 27 GLU HA 1 28 LEU HB2 . . 4.970 4.385 4.101 4.709 . 0 0 "[ . 1 . 2]" 1
404 1 27 GLU HA 1 28 LEU QD . . 4.510 3.247 2.964 3.496 . 0 0 "[ . 1 . 2]" 1
405 1 27 GLU HA 1 110 LYS H . . 3.650 2.900 2.512 3.429 . 0 0 "[ . 1 . 2]" 1
406 1 27 GLU HA 1 110 LYS QB . . 3.460 2.494 2.083 2.892 . 0 0 "[ . 1 . 2]" 1
407 1 27 GLU HA 1 110 LYS QD . . 5.090 4.361 3.522 5.177 0.087 15 0 "[ . 1 . 2]" 1
408 1 27 GLU HB3 1 28 LEU H . . 4.820 3.853 3.338 4.358 . 0 0 "[ . 1 . 2]" 1
409 1 27 GLU HG2 1 28 LEU H . . 3.900 2.519 1.887 3.246 . 0 0 "[ . 1 . 2]" 1
410 1 27 GLU HG2 1 110 LYS QB . . 3.530 3.418 2.310 3.628 0.098 6 0 "[ . 1 . 2]" 1
411 1 27 GLU HG2 1 111 PHE HA . . 4.640 4.316 3.794 4.713 0.073 16 0 "[ . 1 . 2]" 1
412 1 27 GLU HG2 1 112 VAL QG . . 4.010 2.821 2.130 3.895 . 0 0 "[ . 1 . 2]" 1
413 1 27 GLU HG3 1 28 LEU H . . 4.070 3.555 3.015 4.141 0.071 4 0 "[ . 1 . 2]" 1
414 1 27 GLU HG3 1 110 LYS H . . 5.410 4.657 4.095 5.474 0.064 5 0 "[ . 1 . 2]" 1
415 1 27 GLU HG3 1 110 LYS QB . . 3.700 2.498 2.078 3.229 . 0 0 "[ . 1 . 2]" 1
416 1 27 GLU HG3 1 112 VAL QG . . 4.400 3.424 2.429 4.407 0.007 4 0 "[ . 1 . 2]" 1
417 1 28 LEU H 1 28 LEU HB2 . . 3.780 2.543 2.209 2.805 . 0 0 "[ . 1 . 2]" 1
418 1 28 LEU H 1 28 LEU HB3 . . 3.750 3.668 3.513 3.815 0.065 20 0 "[ . 1 . 2]" 1
419 1 28 LEU H 1 28 LEU QD . . 4.500 2.845 2.347 3.160 . 0 0 "[ . 1 . 2]" 1
420 1 28 LEU H 1 29 LYS H . . 4.960 4.168 3.920 4.549 . 0 0 "[ . 1 . 2]" 1
421 1 28 LEU H 1 110 LYS H . . 4.910 4.099 3.382 4.613 . 0 0 "[ . 1 . 2]" 1
422 1 28 LEU H 1 110 LYS QB . . 4.570 3.722 3.285 4.101 . 0 0 "[ . 1 . 2]" 1
423 1 28 LEU H 1 111 PHE H . . 5.500 4.678 4.356 4.906 . 0 0 "[ . 1 . 2]" 1
424 1 28 LEU H 1 111 PHE HA . . 4.060 2.811 2.445 3.274 . 0 0 "[ . 1 . 2]" 1
425 1 28 LEU H 1 111 PHE QD . . 5.500 4.711 4.087 5.203 . 0 0 "[ . 1 . 2]" 1
426 1 28 LEU H 1 112 VAL H . . 4.640 4.094 3.530 4.701 0.061 11 0 "[ . 1 . 2]" 1
427 1 28 LEU HA 1 28 LEU HB3 . . 2.930 2.582 2.517 2.661 . 0 0 "[ . 1 . 2]" 1
428 1 28 LEU HA 1 28 LEU QD . . 3.960 2.540 1.965 2.996 . 0 0 "[ . 1 . 2]" 1
429 1 28 LEU HA 1 29 LYS H . . 2.820 2.170 2.048 2.551 . 0 0 "[ . 1 . 2]" 1
430 1 28 LEU HB2 1 29 LYS H . . 5.000 4.404 3.629 4.581 . 0 0 "[ . 1 . 2]" 1
431 1 28 LEU HB2 1 111 PHE H . . 5.500 4.775 3.922 5.281 . 0 0 "[ . 1 . 2]" 1
432 1 28 LEU HB2 1 111 PHE HA . . 4.460 2.534 2.115 3.037 . 0 0 "[ . 1 . 2]" 1
433 1 28 LEU HB2 1 111 PHE QD . . 4.330 3.043 2.711 3.423 . 0 0 "[ . 1 . 2]" 1
434 1 28 LEU HB2 1 111 PHE QE . . 5.200 3.654 2.899 4.278 . 0 0 "[ . 1 . 2]" 1
435 1 28 LEU HB3 1 29 LYS H . . 3.760 3.505 2.281 3.830 0.070 10 0 "[ . 1 . 2]" 1
436 1 28 LEU HB3 1 111 PHE HA . . 4.790 3.682 3.185 4.303 . 0 0 "[ . 1 . 2]" 1
437 1 28 LEU HB3 1 111 PHE QD . . 3.560 3.106 2.538 3.599 0.039 3 0 "[ . 1 . 2]" 1
438 1 28 LEU HB3 1 111 PHE QE . . 5.500 3.474 2.806 4.536 . 0 0 "[ . 1 . 2]" 1
439 1 28 LEU QD 1 29 LYS H . . 5.500 3.860 3.014 4.434 . 0 0 "[ . 1 . 2]" 1
440 1 28 LEU QD 1 39 PHE QE . . 3.340 2.631 2.208 3.126 . 0 0 "[ . 1 . 2]" 1
441 1 28 LEU QD 1 39 PHE HZ . . 3.620 2.332 1.968 2.933 . 0 0 "[ . 1 . 2]" 1
442 1 28 LEU QD 1 109 PHE HB2 . . 5.500 3.691 3.208 4.285 . 0 0 "[ . 1 . 2]" 1
443 1 28 LEU QD 1 109 PHE QD . . 3.460 3.086 2.533 3.529 0.069 16 0 "[ . 1 . 2]" 1
444 1 28 LEU QD 1 110 LYS H . . 5.500 3.522 2.738 4.059 . 0 0 "[ . 1 . 2]" 1
445 1 28 LEU QD 1 110 LYS HA . . 5.210 5.073 4.781 5.245 0.035 5 0 "[ . 1 . 2]" 1
446 1 28 LEU QD 1 111 PHE QE . . 5.470 2.699 2.106 3.257 . 0 0 "[ . 1 . 2]" 1
447 1 29 LYS H 1 29 LYS HB2 . . 3.230 2.582 2.120 3.311 0.081 16 0 "[ . 1 . 2]" 1
448 1 29 LYS H 1 29 LYS HB3 . . 3.150 2.751 2.354 3.295 0.145 7 0 "[ . 1 . 2]" 1
449 1 29 LYS H 1 29 LYS QD . . 4.230 4.180 3.255 4.335 0.105 11 0 "[ . 1 . 2]" 1
450 1 29 LYS H 1 30 VAL H . . 4.840 4.550 4.236 4.699 . 0 0 "[ . 1 . 2]" 1
451 1 29 LYS HA 1 29 LYS QD . . 4.420 2.516 2.023 3.686 . 0 0 "[ . 1 . 2]" 1
452 1 29 LYS HA 1 29 LYS HG2 . . 3.950 3.543 2.376 3.854 . 0 0 "[ . 1 . 2]" 1
453 1 29 LYS HA 1 29 LYS HG3 . . 3.950 2.893 2.294 3.821 . 0 0 "[ . 1 . 2]" 1
454 1 29 LYS HA 1 30 VAL H . . 2.800 2.235 1.878 2.438 . 0 0 "[ . 1 . 2]" 1
455 1 29 LYS HA 1 30 VAL HA . . 4.620 4.492 4.083 4.605 . 0 0 "[ . 1 . 2]" 1
456 1 29 LYS HA 1 30 VAL HB . . 4.680 4.551 3.968 4.797 0.117 16 0 "[ . 1 . 2]" 1
457 1 29 LYS HA 1 112 VAL H . . 3.950 3.241 2.367 3.861 . 0 0 "[ . 1 . 2]" 1
458 1 29 LYS HA 1 112 VAL QG . . 4.950 2.720 1.986 3.677 . 0 0 "[ . 1 . 2]" 1
459 1 29 LYS HB2 1 29 LYS QE . . 4.600 3.892 2.244 4.576 . 0 0 "[ . 1 . 2]" 1
460 1 29 LYS HB2 1 30 VAL H . . 4.190 4.301 3.617 4.679 0.489 18 0 "[ . 1 . 2]" 1
461 1 29 LYS HB2 1 112 VAL QG . . 4.770 4.022 2.357 4.588 . 0 0 "[ . 1 . 2]" 1
462 1 29 LYS QD 1 29 LYS QE . . 2.470 2.062 1.990 2.138 . 0 0 "[ . 1 . 2]" 1
463 1 29 LYS QD 1 29 LYS HG2 . . 2.690 2.389 2.142 2.578 . 0 0 "[ . 1 . 2]" 1
464 1 29 LYS QD 1 29 LYS HG3 . . 2.760 2.363 2.177 2.562 . 0 0 "[ . 1 . 2]" 1
465 1 29 LYS QD 1 30 VAL H . . 4.640 3.306 2.113 4.599 . 0 0 "[ . 1 . 2]" 1
466 1 29 LYS QE 1 112 VAL QG . . 4.020 2.922 1.812 4.051 0.031 16 0 "[ . 1 . 2]" 1
467 1 29 LYS HG2 1 30 VAL H . . 4.560 4.140 2.066 4.831 0.271 7 0 "[ . 1 . 2]" 1
468 1 29 LYS HG2 1 112 VAL QG . . 5.340 4.342 2.584 5.645 0.305 10 0 "[ . 1 . 2]" 1
469 1 30 VAL H 1 30 VAL HB . . 3.450 2.753 2.500 3.434 . 0 0 "[ . 1 . 2]" 1
470 1 30 VAL H 1 30 VAL QG . . 4.120 2.735 2.340 3.218 . 0 0 "[ . 1 . 2]" 1
471 1 30 VAL H 1 31 GLU H . . 4.990 4.329 4.153 4.436 . 0 0 "[ . 1 . 2]" 1
472 1 30 VAL H 1 112 VAL H . . 4.480 3.689 3.305 4.528 0.048 3 0 "[ . 1 . 2]" 1
473 1 30 VAL H 1 112 VAL QG . . 4.540 3.375 1.766 4.419 . 0 0 "[ . 1 . 2]" 1
474 1 30 VAL H 1 113 GLN H . . 5.340 5.133 4.797 5.403 0.063 3 0 "[ . 1 . 2]" 1
475 1 30 VAL H 1 113 GLN HA . . 3.760 3.331 2.760 3.837 0.077 18 0 "[ . 1 . 2]" 1
476 1 30 VAL H 1 114 ASP H . . 4.280 4.032 2.898 4.348 0.068 18 0 "[ . 1 . 2]" 1
477 1 30 VAL HA 1 30 VAL QG . . 3.120 2.195 2.132 2.335 . 0 0 "[ . 1 . 2]" 1
478 1 30 VAL HA 1 31 GLU H . . 2.750 2.279 2.157 2.692 . 0 0 "[ . 1 . 2]" 1
479 1 30 VAL HA 1 31 GLU HA . . 4.300 4.366 4.323 4.391 0.091 9 0 "[ . 1 . 2]" 1
480 1 30 VAL HA 1 31 GLU HG2 . . 4.030 4.045 3.680 4.114 0.084 8 0 "[ . 1 . 2]" 1
481 1 30 VAL HA 1 85 ILE MD . . 5.220 4.955 4.476 5.309 0.089 16 0 "[ . 1 . 2]" 1
482 1 30 VAL HB 1 31 GLU H . . 4.840 3.779 2.177 4.174 . 0 0 "[ . 1 . 2]" 1
483 1 30 VAL HB 1 113 GLN HA . . 3.410 2.518 2.150 3.492 0.082 16 0 "[ . 1 . 2]" 1
484 1 30 VAL HB 1 113 GLN QB . . 5.170 3.154 2.373 4.237 . 0 0 "[ . 1 . 2]" 1
485 1 30 VAL HB 1 114 ASP H . . 3.930 3.996 3.810 4.041 0.111 16 0 "[ . 1 . 2]" 1
486 1 30 VAL QG 1 31 GLU H . . 3.280 2.348 1.942 3.020 . 0 0 "[ . 1 . 2]" 1
487 1 30 VAL QG 1 31 GLU HB3 . . 5.230 4.569 4.262 4.858 . 0 0 "[ . 1 . 2]" 1
488 1 30 VAL QG 1 31 GLU HG2 . . 5.490 3.534 2.801 4.213 . 0 0 "[ . 1 . 2]" 1
489 1 30 VAL QG 1 31 GLU HG3 . . 5.160 4.214 3.589 4.845 . 0 0 "[ . 1 . 2]" 1
490 1 30 VAL QG 1 32 ALA HA . . 5.140 4.517 3.534 4.880 . 0 0 "[ . 1 . 2]" 1
491 1 30 VAL QG 1 33 GLU H . . 5.500 4.056 3.237 4.540 . 0 0 "[ . 1 . 2]" 1
492 1 30 VAL QG 1 33 GLU HB2 . . 5.490 4.936 4.283 5.847 0.357 15 0 "[ . 1 . 2]" 1
493 1 30 VAL QG 1 34 GLY H . . 3.540 2.959 2.377 3.410 . 0 0 "[ . 1 . 2]" 1
494 1 30 VAL QG 1 34 GLY HA2 . . 3.540 2.111 1.939 2.551 . 0 0 "[ . 1 . 2]" 1
495 1 30 VAL QG 1 34 GLY HA3 . . 4.430 3.390 2.933 3.905 . 0 0 "[ . 1 . 2]" 1
496 1 30 VAL QG 1 35 GLY H . . 4.220 2.833 2.293 3.506 . 0 0 "[ . 1 . 2]" 1
497 1 30 VAL QG 1 35 GLY HA2 . . 5.070 4.508 3.488 4.997 . 0 0 "[ . 1 . 2]" 1
498 1 30 VAL QG 1 35 GLY HA3 . . 5.090 3.628 2.315 4.311 . 0 0 "[ . 1 . 2]" 1
499 1 30 VAL QG 1 85 ILE MD . . 3.390 1.969 1.854 2.110 . 0 0 "[ . 1 . 2]" 1
500 1 30 VAL QG 1 85 ILE MG . . 3.440 2.502 2.109 3.088 . 0 0 "[ . 1 . 2]" 1
501 1 30 VAL QG 1 111 PHE QD . . 3.570 2.472 1.988 3.254 . 0 0 "[ . 1 . 2]" 1
502 1 30 VAL QG 1 112 VAL H . . 4.480 3.178 2.617 4.316 . 0 0 "[ . 1 . 2]" 1
503 1 30 VAL QG 1 113 GLN HA . . 4.070 3.001 1.767 3.586 . 0 0 "[ . 1 . 2]" 1
504 1 30 VAL QG 1 113 GLN QB . . 3.860 2.993 2.034 3.597 . 0 0 "[ . 1 . 2]" 1
505 1 30 VAL QG 1 113 GLN HE21 . . 4.050 2.810 2.036 4.075 0.025 10 0 "[ . 1 . 2]" 1
506 1 30 VAL QG 1 113 GLN HE22 . . 5.240 3.672 2.963 4.507 . 0 0 "[ . 1 . 2]" 1
507 1 30 VAL QG 1 113 GLN QG . . 5.330 2.938 2.051 4.270 . 0 0 "[ . 1 . 2]" 1
508 1 30 VAL QG 1 114 ASP H . . 4.900 3.784 1.804 4.347 . 0 0 "[ . 1 . 2]" 1
509 1 31 GLU H 1 31 GLU HB2 . . 3.750 3.699 3.590 3.816 0.066 19 0 "[ . 1 . 2]" 1
510 1 31 GLU H 1 31 GLU HB3 . . 3.370 2.861 2.634 3.200 . 0 0 "[ . 1 . 2]" 1
511 1 31 GLU H 1 31 GLU HG2 . . 3.260 2.088 1.919 2.327 . 0 0 "[ . 1 . 2]" 1
512 1 31 GLU H 1 31 GLU HG3 . . 3.390 3.226 2.835 3.463 0.073 1 0 "[ . 1 . 2]" 1
513 1 31 GLU H 1 32 ALA H . . 4.810 4.497 4.341 4.633 . 0 0 "[ . 1 . 2]" 1
514 1 31 GLU H 1 33 GLU H . . 5.230 4.030 3.602 4.519 . 0 0 "[ . 1 . 2]" 1
515 1 31 GLU H 1 34 GLY H . . 5.240 3.607 3.076 4.143 . 0 0 "[ . 1 . 2]" 1
516 1 31 GLU H 1 35 GLY H . . 5.500 5.570 5.454 5.589 0.089 5 0 "[ . 1 . 2]" 1
517 1 31 GLU HA 1 32 ALA H . . 2.850 2.568 2.387 2.766 . 0 0 "[ . 1 . 2]" 1
518 1 31 GLU HA 1 32 ALA MB . . 4.190 4.088 3.816 4.235 0.045 11 0 "[ . 1 . 2]" 1
519 1 31 GLU HA 1 33 GLU H . . 4.380 4.268 4.185 4.353 . 0 0 "[ . 1 . 2]" 1
520 1 31 GLU HA 1 114 ASP H . . 4.610 3.059 2.527 4.378 . 0 0 "[ . 1 . 2]" 1
521 1 31 GLU HA 1 114 ASP HB2 . . 2.800 2.337 1.944 2.875 0.075 3 0 "[ . 1 . 2]" 1
522 1 31 GLU HA 1 114 ASP HB3 . . 5.090 3.563 2.160 4.121 . 0 0 "[ . 1 . 2]" 1
523 1 31 GLU HB2 1 32 ALA H . . 3.250 2.298 2.010 2.615 . 0 0 "[ . 1 . 2]" 1
524 1 31 GLU HB2 1 32 ALA MB . . 5.280 3.883 3.508 4.226 . 0 0 "[ . 1 . 2]" 1
525 1 31 GLU HB2 1 33 GLU H . . 3.940 3.627 3.057 4.024 0.084 13 0 "[ . 1 . 2]" 1
526 1 31 GLU HB2 1 34 GLY H . . 5.090 4.893 4.230 5.164 0.074 8 0 "[ . 1 . 2]" 1
527 1 31 GLU HB3 1 31 GLU HG2 . . 2.670 2.530 2.339 2.725 0.055 1 0 "[ . 1 . 2]" 1
528 1 31 GLU HB3 1 32 ALA H . . 3.850 3.755 3.549 3.909 0.059 9 0 "[ . 1 . 2]" 1
529 1 31 GLU HB3 1 32 ALA MB . . 5.500 5.232 4.961 5.385 . 0 0 "[ . 1 . 2]" 1
530 1 31 GLU HG2 1 33 GLU H . . 4.320 3.345 2.448 3.919 . 0 0 "[ . 1 . 2]" 1
531 1 31 GLU HG2 1 34 GLY H . . 5.090 3.366 2.350 4.405 . 0 0 "[ . 1 . 2]" 1
532 1 31 GLU HG3 1 32 ALA H . . 3.900 3.273 2.900 3.780 . 0 0 "[ . 1 . 2]" 1
533 1 31 GLU HG3 1 32 ALA HA . . 4.710 4.703 4.524 4.791 0.081 8 0 "[ . 1 . 2]" 1
534 1 31 GLU HG3 1 34 GLY H . . 4.750 2.967 2.155 3.431 . 0 0 "[ . 1 . 2]" 1
535 1 32 ALA H 1 32 ALA MB . . 2.960 2.133 2.015 2.204 . 0 0 "[ . 1 . 2]" 1
536 1 32 ALA H 1 33 GLU H . . 3.520 3.038 2.818 3.349 . 0 0 "[ . 1 . 2]" 1
537 1 32 ALA H 1 34 GLY H . . 5.200 4.574 4.291 5.098 . 0 0 "[ . 1 . 2]" 1
538 1 32 ALA H 1 114 ASP H . . 5.270 4.203 3.834 5.207 . 0 0 "[ . 1 . 2]" 1
539 1 32 ALA H 1 114 ASP HB2 . . 3.630 3.137 2.605 3.900 0.270 12 0 "[ . 1 . 2]" 1
540 1 32 ALA H 1 114 ASP HB3 . . 3.830 3.311 2.187 3.905 0.075 1 0 "[ . 1 . 2]" 1
541 1 32 ALA H 1 116 ALA HA . . 5.010 5.010 4.673 5.084 0.074 11 0 "[ . 1 . 2]" 1
542 1 32 ALA HA 1 88 ASN HB2 . . 4.020 3.443 2.918 4.157 0.137 9 0 "[ . 1 . 2]" 1
543 1 32 ALA HA 1 88 ASN HB3 . . 4.300 2.949 2.358 3.728 . 0 0 "[ . 1 . 2]" 1
544 1 32 ALA HA 1 88 ASN HD21 . . 5.500 3.882 3.375 5.174 . 0 0 "[ . 1 . 2]" 1
545 1 32 ALA HA 1 113 GLN HE21 . . 3.670 3.230 2.599 3.514 . 0 0 "[ . 1 . 2]" 1
546 1 32 ALA HA 1 113 GLN HE22 . . 4.500 4.321 3.898 4.589 0.089 1 0 "[ . 1 . 2]" 1
547 1 32 ALA HA 1 113 GLN QG . . 4.380 2.717 2.162 3.775 . 0 0 "[ . 1 . 2]" 1
548 1 32 ALA HA 1 114 ASP H . . 4.930 3.994 3.401 4.916 . 0 0 "[ . 1 . 2]" 1
549 1 32 ALA HA 1 114 ASP HB2 . . 5.130 4.219 3.458 4.920 . 0 0 "[ . 1 . 2]" 1
550 1 32 ALA MB 1 33 GLU H . . 3.750 3.377 3.059 3.691 . 0 0 "[ . 1 . 2]" 1
551 1 32 ALA MB 1 33 GLU HA . . 5.140 4.220 3.931 4.582 . 0 0 "[ . 1 . 2]" 1
552 1 32 ALA MB 1 33 GLU HB2 . . 4.990 5.088 4.845 5.567 0.577 13 2 "[ . 1 + - 2]" 1
553 1 32 ALA MB 1 33 GLU HG2 . . 5.500 3.764 3.036 5.586 0.086 13 0 "[ . 1 . 2]" 1
554 1 32 ALA MB 1 33 GLU HG3 . . 5.500 4.745 3.529 5.489 . 0 0 "[ . 1 . 2]" 1
555 1 32 ALA MB 1 87 ARG HG2 . . 3.920 3.887 3.660 4.027 0.107 11 0 "[ . 1 . 2]" 1
556 1 32 ALA MB 1 88 ASN H . . 4.780 3.541 3.087 4.017 . 0 0 "[ . 1 . 2]" 1
557 1 32 ALA MB 1 88 ASN HB2 . . 4.070 3.951 3.373 4.559 0.489 13 0 "[ . 1 . 2]" 1
558 1 32 ALA MB 1 88 ASN HB3 . . 4.500 2.667 2.294 3.229 . 0 0 "[ . 1 . 2]" 1
559 1 32 ALA MB 1 88 ASN HD21 . . 5.500 3.734 3.208 4.499 . 0 0 "[ . 1 . 2]" 1
560 1 32 ALA MB 1 88 ASN HD22 . . 5.500 4.895 4.440 5.580 0.080 9 0 "[ . 1 . 2]" 1
561 1 32 ALA MB 1 113 GLN HE21 . . 4.830 4.629 3.786 4.940 0.110 1 0 "[ . 1 . 2]" 1
562 1 32 ALA MB 1 114 ASP HB2 . . 3.530 3.606 3.168 4.242 0.712 8 2 "[ . + 1 - . 2]" 1
563 1 32 ALA MB 1 114 ASP HB3 . . 4.180 2.970 2.174 3.547 . 0 0 "[ . 1 . 2]" 1
564 1 32 ALA MB 1 115 ALA H . . 5.500 3.941 3.231 4.409 . 0 0 "[ . 1 . 2]" 1
565 1 32 ALA MB 1 115 ALA HA . . 4.800 3.718 3.203 4.152 . 0 0 "[ . 1 . 2]" 1
566 1 32 ALA MB 1 116 ALA H . . 4.110 3.375 3.031 3.681 . 0 0 "[ . 1 . 2]" 1
567 1 32 ALA MB 1 116 ALA HA . . 3.170 2.306 2.111 2.584 . 0 0 "[ . 1 . 2]" 1
568 1 32 ALA MB 1 116 ALA MB . . 3.980 2.620 2.121 2.991 . 0 0 "[ . 1 . 2]" 1
569 1 32 ALA MB 1 117 LYS H . . 3.790 3.739 3.401 3.894 0.104 1 0 "[ . 1 . 2]" 1
570 1 33 GLU H 1 33 GLU HB2 . . 3.200 2.578 2.184 3.921 0.721 13 1 "[ . 1 + . 2]" 1
571 1 33 GLU H 1 33 GLU HG2 . . 3.820 2.858 2.180 3.806 . 0 0 "[ . 1 . 2]" 1
572 1 33 GLU H 1 33 GLU HG3 . . 3.740 3.314 2.380 3.895 0.155 1 0 "[ . 1 . 2]" 1
573 1 33 GLU H 1 34 GLY H . . 3.420 1.989 1.652 2.151 . 0 0 "[ . 1 . 2]" 1
574 1 33 GLU H 1 34 GLY HA2 . . 4.210 4.207 3.871 4.294 0.084 10 0 "[ . 1 . 2]" 1
575 1 33 GLU H 1 34 GLY HA3 . . 5.310 4.721 4.298 4.904 . 0 0 "[ . 1 . 2]" 1
576 1 33 GLU H 1 88 ASN H . . 4.740 4.563 3.679 4.820 0.080 10 0 "[ . 1 . 2]" 1
577 1 33 GLU H 1 113 GLN HE21 . . 5.300 3.832 2.610 4.770 . 0 0 "[ . 1 . 2]" 1
578 1 33 GLU H 1 113 GLN HE22 . . 5.500 4.893 3.840 5.568 0.068 4 0 "[ . 1 . 2]" 1
579 1 33 GLU HA 1 33 GLU HB2 . . 2.950 2.955 2.347 3.031 0.081 1 0 "[ . 1 . 2]" 1
580 1 33 GLU HA 1 33 GLU HG3 . . 3.740 3.751 3.273 3.957 0.217 5 0 "[ . 1 . 2]" 1
581 1 33 GLU HA 1 87 ARG HB3 . . 3.990 4.050 3.887 4.080 0.090 1 0 "[ . 1 . 2]" 1
582 1 33 GLU HA 1 87 ARG HG2 . . 3.690 2.613 2.177 3.172 . 0 0 "[ . 1 . 2]" 1
583 1 33 GLU HA 1 87 ARG HG3 . . 3.310 2.851 2.155 3.362 0.052 2 0 "[ . 1 . 2]" 1
584 1 33 GLU HA 1 88 ASN H . . 4.380 3.723 3.230 4.441 0.061 9 0 "[ . 1 . 2]" 1
585 1 33 GLU HB2 1 34 GLY H . . 4.170 2.833 2.284 3.996 . 0 0 "[ . 1 . 2]" 1
586 1 33 GLU HB2 1 34 GLY HA2 . . 5.120 4.762 4.343 5.662 0.542 13 1 "[ . 1 + . 2]" 1
587 1 33 GLU HB3 1 33 GLU HG2 . . 2.970 2.882 2.088 3.079 0.109 5 0 "[ . 1 . 2]" 1
588 1 33 GLU HB3 1 34 GLY H . . 4.130 3.780 3.218 4.185 0.055 12 0 "[ . 1 . 2]" 1
589 1 33 GLU HG2 1 34 GLY H . . 4.520 4.243 3.633 4.625 0.105 12 0 "[ . 1 . 2]" 1
590 1 33 GLU HG3 1 34 GLY H . . 4.540 4.318 1.953 4.611 0.071 14 0 "[ . 1 . 2]" 1
591 1 34 GLY H 1 35 GLY H . . 4.320 4.346 4.036 4.401 0.081 18 0 "[ . 1 . 2]" 1
592 1 34 GLY H 1 113 GLN HE21 . . 3.900 2.999 2.433 3.916 0.016 9 0 "[ . 1 . 2]" 1
593 1 34 GLY HA2 1 35 GLY H . . 3.440 2.489 2.207 2.846 . 0 0 "[ . 1 . 2]" 1
594 1 34 GLY HA2 1 35 GLY HA3 . . 5.160 4.438 4.218 4.577 . 0 0 "[ . 1 . 2]" 1
595 1 34 GLY HA2 1 85 ILE H . . 5.500 5.106 4.183 5.490 . 0 0 "[ . 1 . 2]" 1
596 1 34 GLY HA2 1 85 ILE HB . . 4.590 2.969 2.333 3.401 . 0 0 "[ . 1 . 2]" 1
597 1 34 GLY HA2 1 85 ILE MG . . 4.070 3.067 2.665 3.895 . 0 0 "[ . 1 . 2]" 1
598 1 34 GLY HA2 1 113 GLN HE21 . . 4.230 2.911 2.344 3.916 . 0 0 "[ . 1 . 2]" 1
599 1 34 GLY HA2 1 113 GLN HE22 . . 4.710 3.279 2.430 4.039 . 0 0 "[ . 1 . 2]" 1
600 1 34 GLY HA3 1 35 GLY H . . 3.250 2.638 2.184 3.085 . 0 0 "[ . 1 . 2]" 1
601 1 34 GLY HA3 1 35 GLY HA2 . . 4.500 4.301 4.054 4.547 0.047 11 0 "[ . 1 . 2]" 1
602 1 34 GLY HA3 1 85 ILE H . . 5.500 4.443 4.053 4.733 . 0 0 "[ . 1 . 2]" 1
603 1 34 GLY HA3 1 85 ILE HB . . 5.150 2.951 2.286 3.591 . 0 0 "[ . 1 . 2]" 1
604 1 34 GLY HA3 1 85 ILE MG . . 4.430 3.055 2.367 4.164 . 0 0 "[ . 1 . 2]" 1
605 1 34 GLY HA3 1 87 ARG H . . 5.500 4.610 4.005 5.342 . 0 0 "[ . 1 . 2]" 1
606 1 34 GLY HA3 1 113 GLN HE21 . . 4.400 3.542 2.692 4.466 0.066 9 0 "[ . 1 . 2]" 1
607 1 34 GLY HA3 1 113 GLN HE22 . . 5.050 3.187 2.522 4.036 . 0 0 "[ . 1 . 2]" 1
608 1 35 GLY H 1 84 ILE MG . . 5.390 4.875 4.008 5.458 0.068 11 0 "[ . 1 . 2]" 1
609 1 35 GLY H 1 85 ILE H . . 3.570 3.241 2.787 3.644 0.074 11 0 "[ . 1 . 2]" 1
610 1 35 GLY H 1 85 ILE HB . . 3.520 2.147 1.786 2.786 . 0 0 "[ . 1 . 2]" 1
611 1 35 GLY H 1 85 ILE MD . . 4.250 3.345 2.599 4.245 . 0 0 "[ . 1 . 2]" 1
612 1 35 GLY H 1 85 ILE MG . . 4.740 3.629 3.078 4.242 . 0 0 "[ . 1 . 2]" 1
613 1 35 GLY H 1 113 GLN HE22 . . 5.500 5.209 4.508 5.584 0.084 3 0 "[ . 1 . 2]" 1
614 1 35 GLY HA2 1 36 SER H . . 2.910 2.549 2.094 2.843 . 0 0 "[ . 1 . 2]" 1
615 1 35 GLY HA2 1 36 SER HA . . 4.950 4.468 4.322 4.606 . 0 0 "[ . 1 . 2]" 1
616 1 35 GLY HA2 1 84 ILE MG . . 5.500 4.677 3.768 5.573 0.073 13 0 "[ . 1 . 2]" 1
617 1 35 GLY HA2 1 85 ILE H . . 5.500 4.432 3.762 5.201 . 0 0 "[ . 1 . 2]" 1
618 1 35 GLY HA3 1 36 SER H . . 2.990 2.677 2.443 3.058 0.068 13 0 "[ . 1 . 2]" 1
619 1 35 GLY HA3 1 36 SER HA . . 4.980 4.572 4.422 4.709 . 0 0 "[ . 1 . 2]" 1
620 1 36 SER H 1 36 SER QB . . 3.230 2.803 2.282 3.200 . 0 0 "[ . 1 . 2]" 1
621 1 36 SER H 1 37 SER H . . 4.700 4.534 4.223 4.691 . 0 0 "[ . 1 . 2]" 1
622 1 36 SER H 1 84 ILE MG . . 5.500 4.606 3.716 5.138 . 0 0 "[ . 1 . 2]" 1
623 1 36 SER H 1 85 ILE H . . 5.270 4.861 4.329 5.329 0.059 13 0 "[ . 1 . 2]" 1
624 1 36 SER HA 1 37 SER H . . 2.860 2.363 2.227 2.470 . 0 0 "[ . 1 . 2]" 1
625 1 36 SER HA 1 37 SER HA . . 4.650 4.544 4.493 4.611 . 0 0 "[ . 1 . 2]" 1
626 1 36 SER HA 1 37 SER HB3 . . 5.110 5.365 4.436 5.931 0.821 8 8 "[*-**. +** *. 2]" 1
627 1 36 SER HA 1 83 VAL H . . 5.060 4.619 4.129 5.111 0.051 14 0 "[ . 1 . 2]" 1
628 1 36 SER HA 1 83 VAL QG . . 5.500 3.915 3.420 4.417 . 0 0 "[ . 1 . 2]" 1
629 1 36 SER HA 1 84 ILE H . . 5.500 4.775 4.641 4.990 . 0 0 "[ . 1 . 2]" 1
630 1 36 SER HA 1 84 ILE HA . . 3.200 2.233 2.088 2.514 . 0 0 "[ . 1 . 2]" 1
631 1 36 SER HA 1 84 ILE MD . . 4.600 4.397 2.106 4.705 0.105 15 0 "[ . 1 . 2]" 1
632 1 36 SER HA 1 84 ILE HG12 . . 4.480 3.813 3.084 4.565 0.085 14 0 "[ . 1 . 2]" 1
633 1 36 SER HA 1 84 ILE HG13 . . 4.490 3.265 2.226 4.256 . 0 0 "[ . 1 . 2]" 1
634 1 36 SER HA 1 84 ILE MG . . 3.970 3.476 2.230 4.052 0.082 6 0 "[ . 1 . 2]" 1
635 1 36 SER HA 1 85 ILE H . . 3.790 3.431 3.160 3.835 0.045 3 0 "[ . 1 . 2]" 1
636 1 36 SER QB 1 37 SER H . . 3.640 2.885 2.265 3.704 0.064 18 0 "[ . 1 . 2]" 1
637 1 36 SER QB 1 84 ILE HA . . 3.830 3.231 2.718 3.743 . 0 0 "[ . 1 . 2]" 1
638 1 36 SER QB 1 84 ILE MD . . 3.810 3.467 1.955 3.901 0.091 13 0 "[ . 1 . 2]" 1
639 1 36 SER QB 1 84 ILE HG12 . . 3.960 2.715 1.965 4.301 0.341 14 0 "[ . 1 . 2]" 1
640 1 36 SER QB 1 84 ILE HG13 . . 4.220 2.771 2.045 3.610 . 0 0 "[ . 1 . 2]" 1
641 1 36 SER QB 1 84 ILE MG . . 3.940 2.880 2.139 4.041 0.101 8 0 "[ . 1 . 2]" 1
642 1 36 SER QB 1 85 ILE H . . 5.140 4.349 3.545 5.161 0.021 8 0 "[ . 1 . 2]" 1
643 1 37 SER H 1 38 LEU H . . 4.920 4.364 3.983 4.552 . 0 0 "[ . 1 . 2]" 1
644 1 37 SER H 1 38 LEU HA . . 4.940 4.837 4.633 5.015 0.075 3 0 "[ . 1 . 2]" 1
645 1 37 SER H 1 82 LYS QB . . 4.220 4.217 3.619 4.323 0.103 4 0 "[ . 1 . 2]" 1
646 1 37 SER H 1 83 VAL H . . 3.660 2.875 2.567 3.295 . 0 0 "[ . 1 . 2]" 1
647 1 37 SER H 1 83 VAL QG . . 5.020 3.335 2.338 4.218 . 0 0 "[ . 1 . 2]" 1
648 1 37 SER H 1 84 ILE HA . . 4.140 3.762 3.382 4.149 0.009 7 0 "[ . 1 . 2]" 1
649 1 37 SER H 1 84 ILE HG12 . . 5.140 4.888 4.215 5.225 0.085 9 0 "[ . 1 . 2]" 1
650 1 37 SER H 1 84 ILE HG13 . . 5.500 3.859 2.747 5.227 . 0 0 "[ . 1 . 2]" 1
651 1 37 SER H 1 85 ILE H . . 5.320 5.364 5.262 5.402 0.082 6 0 "[ . 1 . 2]" 1
652 1 37 SER HA 1 38 LEU H . . 2.980 2.343 2.030 2.687 . 0 0 "[ . 1 . 2]" 1
653 1 37 SER HA 1 38 LEU HA . . 5.340 4.526 4.425 4.618 . 0 0 "[ . 1 . 2]" 1
654 1 37 SER HA 1 38 LEU HB2 . . 4.500 4.430 3.794 4.633 0.133 13 0 "[ . 1 . 2]" 1
655 1 37 SER HA 1 38 LEU HB3 . . 4.560 4.285 4.150 4.500 . 0 0 "[ . 1 . 2]" 1
656 1 37 SER HB2 1 38 LEU H . . 3.810 3.427 2.262 4.129 0.319 14 0 "[ . 1 . 2]" 1
657 1 37 SER HB2 1 39 PHE QE . . 3.520 2.577 2.147 3.654 0.134 19 0 "[ . 1 . 2]" 1
658 1 37 SER HB2 1 111 PHE QE . . 5.500 3.889 3.298 4.646 . 0 0 "[ . 1 . 2]" 1
659 1 37 SER HB3 1 38 LEU H . . 4.340 3.075 2.266 3.972 . 0 0 "[ . 1 . 2]" 1
660 1 37 SER HB3 1 39 PHE QE . . 4.260 3.388 2.612 4.160 . 0 0 "[ . 1 . 2]" 1
661 1 37 SER HB3 1 83 VAL H . . 5.380 4.968 4.243 5.446 0.066 6 0 "[ . 1 . 2]" 1
662 1 37 SER HB3 1 83 VAL QG . . 5.500 4.042 3.341 4.880 . 0 0 "[ . 1 . 2]" 1
663 1 37 SER HB3 1 111 PHE QE . . 5.280 4.337 3.067 5.260 . 0 0 "[ . 1 . 2]" 1
664 1 38 LEU H 1 38 LEU HB2 . . 3.240 3.207 2.928 3.492 0.252 7 0 "[ . 1 . 2]" 1
665 1 38 LEU H 1 38 LEU HB3 . . 3.490 2.549 2.299 2.844 . 0 0 "[ . 1 . 2]" 1
666 1 38 LEU H 1 38 LEU MD1 . . 4.450 4.426 4.353 4.526 0.076 12 0 "[ . 1 . 2]" 1
667 1 38 LEU H 1 38 LEU MD2 . . 4.960 4.470 4.280 4.697 . 0 0 "[ . 1 . 2]" 1
668 1 38 LEU H 1 39 PHE H . . 4.670 4.301 4.085 4.546 . 0 0 "[ . 1 . 2]" 1
669 1 38 LEU H 1 39 PHE QE . . 5.350 4.413 3.790 5.032 . 0 0 "[ . 1 . 2]" 1
670 1 38 LEU H 1 83 VAL H . . 5.500 5.129 4.849 5.373 . 0 0 "[ . 1 . 2]" 1
671 1 38 LEU HA 1 38 LEU MD1 . . 3.180 2.278 2.171 2.455 . 0 0 "[ . 1 . 2]" 1
672 1 38 LEU HA 1 38 LEU HG . . 3.580 3.208 2.626 3.417 . 0 0 "[ . 1 . 2]" 1
673 1 38 LEU HA 1 39 PHE H . . 2.890 2.192 2.060 2.343 . 0 0 "[ . 1 . 2]" 1
674 1 38 LEU HA 1 39 PHE HB2 . . 4.800 4.610 4.384 4.867 0.067 8 0 "[ . 1 . 2]" 1
675 1 38 LEU HA 1 39 PHE QD . . 4.020 3.332 2.899 3.630 . 0 0 "[ . 1 . 2]" 1
676 1 38 LEU HA 1 39 PHE QE . . 5.290 4.566 3.761 4.939 . 0 0 "[ . 1 . 2]" 1
677 1 38 LEU HA 1 82 LYS QE . . 5.290 4.796 3.646 5.378 0.088 16 0 "[ . 1 . 2]" 1
678 1 38 LEU HB2 1 38 LEU MD2 . . 3.670 2.492 2.396 2.899 . 0 0 "[ . 1 . 2]" 1
679 1 38 LEU HB2 1 39 PHE H . . 4.190 4.157 4.063 4.274 0.084 6 0 "[ . 1 . 2]" 1
680 1 38 LEU HB3 1 39 PHE H . . 4.160 4.202 4.071 4.271 0.111 5 0 "[ . 1 . 2]" 1
681 1 38 LEU MD1 1 39 PHE H . . 3.400 2.283 1.940 3.319 . 0 0 "[ . 1 . 2]" 1
682 1 38 LEU MD1 1 80 GLU HA . . 4.900 3.339 2.699 4.661 . 0 0 "[ . 1 . 2]" 1
683 1 38 LEU MD1 1 80 GLU HB3 . . 4.060 2.240 2.008 3.426 . 0 0 "[ . 1 . 2]" 1
684 1 38 LEU MD1 1 82 LYS QE . . 3.450 2.587 1.852 3.539 0.089 6 0 "[ . 1 . 2]" 1
685 1 38 LEU MD1 1 82 LYS HG3 . . 3.960 3.154 1.964 4.957 0.997 19 6 "[ * .** 1 - .* +2]" 1
686 1 38 LEU MD2 1 80 GLU HG2 . . 4.840 4.007 3.554 4.838 . 0 0 "[ . 1 . 2]" 1
687 1 38 LEU MD2 1 80 GLU HG3 . . 4.910 4.971 4.738 5.033 0.123 6 0 "[ . 1 . 2]" 1
688 1 38 LEU HG 1 39 PHE H . . 3.740 3.013 2.668 3.450 . 0 0 "[ . 1 . 2]" 1
689 1 38 LEU HG 1 39 PHE HA . . 4.110 3.687 3.197 4.103 . 0 0 "[ . 1 . 2]" 1
690 1 39 PHE H 1 39 PHE HB2 . . 4.000 2.734 2.554 2.972 . 0 0 "[ . 1 . 2]" 1
691 1 39 PHE H 1 39 PHE HB3 . . 3.910 3.797 3.699 3.908 . 0 0 "[ . 1 . 2]" 1
692 1 39 PHE H 1 39 PHE QD . . 2.900 2.729 2.512 2.900 0.000 20 0 "[ . 1 . 2]" 1
693 1 39 PHE H 1 39 PHE QE . . 5.030 4.776 4.468 5.075 0.045 17 0 "[ . 1 . 2]" 1
694 1 39 PHE H 1 81 LEU HB3 . . 4.720 3.799 3.082 4.294 . 0 0 "[ . 1 . 2]" 1
695 1 39 PHE H 1 81 LEU QD . . 4.590 3.941 3.555 4.430 . 0 0 "[ . 1 . 2]" 1
696 1 39 PHE H 1 83 VAL H . . 5.500 5.335 4.952 5.560 0.060 3 0 "[ . 1 . 2]" 1
697 1 39 PHE HA 1 39 PHE QD . . 4.120 3.105 2.855 3.298 . 0 0 "[ . 1 . 2]" 1
698 1 39 PHE HA 1 40 ALA H . . 2.880 2.265 2.175 2.375 . 0 0 "[ . 1 . 2]" 1
699 1 39 PHE HA 1 40 ALA MB . . 4.940 4.220 4.005 4.397 . 0 0 "[ . 1 . 2]" 1
700 1 39 PHE HB2 1 40 ALA H . . 4.560 4.315 3.659 4.519 . 0 0 "[ . 1 . 2]" 1
701 1 39 PHE HB2 1 80 GLU HA . . 5.060 4.948 4.595 5.109 0.049 7 0 "[ . 1 . 2]" 1
702 1 39 PHE HB2 1 81 LEU H . . 4.400 3.327 2.985 3.488 . 0 0 "[ . 1 . 2]" 1
703 1 39 PHE HB2 1 81 LEU HB2 . . 4.380 3.914 3.051 4.358 . 0 0 "[ . 1 . 2]" 1
704 1 39 PHE HB2 1 81 LEU HB3 . . 3.980 2.288 2.079 2.674 . 0 0 "[ . 1 . 2]" 1
705 1 39 PHE HB2 1 81 LEU QD . . 3.870 2.469 2.168 2.911 . 0 0 "[ . 1 . 2]" 1
706 1 39 PHE HB3 1 40 ALA H . . 4.410 3.705 2.844 4.028 . 0 0 "[ . 1 . 2]" 1
707 1 39 PHE HB3 1 81 LEU HB2 . . 5.420 5.251 4.637 5.492 0.072 3 0 "[ . 1 . 2]" 1
708 1 39 PHE HB3 1 81 LEU QD . . 4.820 3.455 2.957 3.897 . 0 0 "[ . 1 . 2]" 1
709 1 39 PHE QD 1 81 LEU H . . 5.310 4.619 4.196 5.018 . 0 0 "[ . 1 . 2]" 1
710 1 39 PHE QD 1 81 LEU HB2 . . 5.500 4.973 3.930 5.536 0.036 3 0 "[ . 1 . 2]" 1
711 1 39 PHE QD 1 81 LEU HB3 . . 4.740 3.550 2.304 4.283 . 0 0 "[ . 1 . 2]" 1
712 1 39 PHE QD 1 81 LEU QD . . 3.420 2.421 2.118 2.989 . 0 0 "[ . 1 . 2]" 1
713 1 39 PHE QD 1 81 LEU HG . . 5.110 4.196 2.519 5.156 0.046 3 0 "[ . 1 . 2]" 1
714 1 39 PHE QD 1 82 LYS H . . 5.500 4.747 4.324 5.325 . 0 0 "[ . 1 . 2]" 1
715 1 39 PHE QE 1 81 LEU QD . . 3.850 3.392 2.824 3.829 . 0 0 "[ . 1 . 2]" 1
716 1 39 PHE QE 1 82 LYS HA . . 4.560 4.124 3.337 4.656 0.096 19 0 "[ . 1 . 2]" 1
717 1 39 PHE QE 1 83 VAL H . . 5.320 3.767 2.996 4.495 . 0 0 "[ . 1 . 2]" 1
718 1 39 PHE QE 1 83 VAL QG . . 3.800 2.492 2.147 3.354 . 0 0 "[ . 1 . 2]" 1
719 1 40 ALA H 1 40 ALA MB . . 3.120 2.507 2.341 2.721 . 0 0 "[ . 1 . 2]" 1
720 1 40 ALA HA 1 41 CYS H . . 2.950 2.190 2.055 2.286 . 0 0 "[ . 1 . 2]" 1
721 1 40 ALA HA 1 41 CYS HA . . 5.020 4.416 4.245 4.518 . 0 0 "[ . 1 . 2]" 1
722 1 40 ALA HA 1 41 CYS HB2 . . 5.410 4.555 3.948 5.430 0.020 1 0 "[ . 1 . 2]" 1
723 1 40 ALA HA 1 41 CYS HB3 . . 5.340 4.882 4.286 5.396 0.056 18 0 "[ . 1 . 2]" 1
724 1 40 ALA HA 1 79 ASN QD . . 5.500 3.975 2.858 4.838 . 0 0 "[ . 1 . 2]" 1
725 1 40 ALA HA 1 80 GLU H . . 5.430 4.736 4.546 4.980 . 0 0 "[ . 1 . 2]" 1
726 1 40 ALA HA 1 80 GLU HG2 . . 4.310 2.775 2.145 3.575 . 0 0 "[ . 1 . 2]" 1
727 1 40 ALA HA 1 80 GLU HG3 . . 5.200 4.110 3.361 5.106 . 0 0 "[ . 1 . 2]" 1
728 1 40 ALA MB 1 41 CYS H . . 4.340 3.279 3.015 3.491 . 0 0 "[ . 1 . 2]" 1
729 1 40 ALA MB 1 79 ASN QD . . 3.940 3.151 2.414 3.693 . 0 0 "[ . 1 . 2]" 1
730 1 40 ALA MB 1 80 GLU HA . . 4.560 3.409 3.185 3.882 . 0 0 "[ . 1 . 2]" 1
731 1 40 ALA MB 1 80 GLU HG2 . . 4.230 2.381 2.133 2.930 . 0 0 "[ . 1 . 2]" 1
732 1 40 ALA MB 1 80 GLU HG3 . . 4.140 3.504 3.032 4.220 0.080 9 0 "[ . 1 . 2]" 1
733 1 41 CYS H 1 41 CYS HB2 . . 3.720 2.584 1.974 3.588 . 0 0 "[ . 1 . 2]" 1
734 1 41 CYS H 1 41 CYS HB3 . . 3.690 2.803 2.564 3.253 . 0 0 "[ . 1 . 2]" 1
735 1 41 CYS H 1 79 ASN HB2 . . 4.470 3.303 2.934 4.531 0.061 7 0 "[ . 1 . 2]" 1
736 1 41 CYS H 1 79 ASN HB3 . . 4.810 4.870 4.644 4.897 0.087 5 0 "[ . 1 . 2]" 1
737 1 41 CYS H 1 79 ASN QD . . 4.940 3.219 2.596 3.924 . 0 0 "[ . 1 . 2]" 1
738 1 41 CYS HA 1 42 LYS H . . 3.190 2.242 2.051 2.386 . 0 0 "[ . 1 . 2]" 1
739 1 41 CYS HA 1 42 LYS HB3 . . 5.370 4.871 4.144 5.182 . 0 0 "[ . 1 . 2]" 1
740 1 41 CYS HA 1 43 ASN H . . 4.420 3.695 3.420 3.944 . 0 0 "[ . 1 . 2]" 1
741 1 41 CYS HA 1 79 ASN QD . . 5.500 4.708 4.250 5.351 . 0 0 "[ . 1 . 2]" 1
742 1 41 CYS HB2 1 42 LYS H . . 5.380 4.386 3.057 4.742 . 0 0 "[ . 1 . 2]" 1
743 1 41 CYS HB2 1 47 PHE QE . . 3.560 3.112 2.384 4.110 0.550 1 2 "[+ . - . 2]" 1
744 1 41 CYS HB2 1 79 ASN HB2 . . 4.990 4.030 2.713 5.046 0.056 7 0 "[ . 1 . 2]" 1
745 1 41 CYS HB3 1 42 LYS H . . 5.500 4.172 3.590 4.506 . 0 0 "[ . 1 . 2]" 1
746 1 41 CYS HB3 1 44 TYR H . . 4.530 3.365 2.668 4.636 0.106 3 0 "[ . 1 . 2]" 1
747 1 41 CYS HB3 1 47 PHE QE . . 4.040 2.990 2.309 3.888 . 0 0 "[ . 1 . 2]" 1
748 1 41 CYS HB3 1 79 ASN HA . . 5.380 4.217 3.489 5.058 . 0 0 "[ . 1 . 2]" 1
749 1 41 CYS HB3 1 79 ASN HB2 . . 4.370 3.177 2.380 4.880 0.510 10 1 "[ . + . 2]" 1
750 1 41 CYS HB3 1 79 ASN QD . . 5.390 3.999 3.323 5.752 0.362 10 0 "[ . 1 . 2]" 1
751 1 42 LYS H 1 42 LYS HB2 . . 3.790 2.707 2.321 3.714 . 0 0 "[ . 1 . 2]" 1
752 1 42 LYS H 1 42 LYS HB3 . . 3.710 2.741 2.554 3.013 . 0 0 "[ . 1 . 2]" 1
753 1 42 LYS H 1 42 LYS QG . . 4.100 3.907 2.097 4.174 0.074 8 0 "[ . 1 . 2]" 1
754 1 42 LYS H 1 43 ASN H . . 3.500 2.485 2.100 2.930 . 0 0 "[ . 1 . 2]" 1
755 1 42 LYS H 1 44 TYR H . . 5.030 4.149 3.638 4.574 . 0 0 "[ . 1 . 2]" 1
756 1 42 LYS HA 1 42 LYS QG . . 3.250 2.487 2.056 3.356 0.106 6 0 "[ . 1 . 2]" 1
757 1 42 LYS HA 1 44 TYR H . . 5.500 4.451 4.047 5.053 . 0 0 "[ . 1 . 2]" 1
758 1 42 LYS HA 1 79 ASN QD . . 5.500 3.375 2.473 4.941 . 0 0 "[ . 1 . 2]" 1
759 1 42 LYS HB2 1 43 ASN H . . 4.770 4.269 3.961 4.574 . 0 0 "[ . 1 . 2]" 1
760 1 42 LYS HB3 1 43 ASN H . . 4.100 3.652 2.949 4.347 0.247 1 0 "[ . 1 . 2]" 1
761 1 42 LYS QE 1 42 LYS QG . . 3.340 2.163 1.894 2.336 . 0 0 "[ . 1 . 2]" 1
762 1 42 LYS QG 1 43 ASN QB . . 4.750 4.288 2.648 4.668 . 0 0 "[ . 1 . 2]" 1
763 1 43 ASN H 1 44 TYR H . . 3.130 2.118 1.823 2.442 . 0 0 "[ . 1 . 2]" 1
764 1 43 ASN H 1 44 TYR HB3 . . 5.500 5.566 5.503 5.590 0.090 4 0 "[ . 1 . 2]" 1
765 1 43 ASN H 1 44 TYR QD . . 5.500 4.379 4.061 4.882 . 0 0 "[ . 1 . 2]" 1
766 1 43 ASN QD 1 44 TYR QD . . 3.440 2.819 2.026 3.338 . 0 0 "[ . 1 . 2]" 1
767 1 43 ASN QD 1 44 TYR QE . . 5.500 2.695 2.071 4.153 . 0 0 "[ . 1 . 2]" 1
768 1 44 TYR H 1 44 TYR HB2 . . 3.640 2.713 2.291 2.921 . 0 0 "[ . 1 . 2]" 1
769 1 44 TYR H 1 44 TYR HB3 . . 4.020 3.716 3.529 3.852 . 0 0 "[ . 1 . 2]" 1
770 1 44 TYR H 1 44 TYR QD . . 4.310 3.697 2.790 4.060 . 0 0 "[ . 1 . 2]" 1
771 1 44 TYR H 1 45 LYS QG . . 5.330 4.061 3.407 5.237 . 0 0 "[ . 1 . 2]" 1
772 1 44 TYR H 1 102 ALA MB . . 5.500 5.338 4.789 5.575 0.075 12 0 "[ . 1 . 2]" 1
773 1 44 TYR HA 1 44 TYR QD . . 3.220 2.752 2.346 3.065 . 0 0 "[ . 1 . 2]" 1
774 1 44 TYR HA 1 45 LYS H . . 3.270 2.290 2.119 2.452 . 0 0 "[ . 1 . 2]" 1
775 1 44 TYR HA 1 46 SER H . . 4.120 3.911 3.285 4.196 0.076 19 0 "[ . 1 . 2]" 1
776 1 44 TYR HB2 1 45 LYS H . . 5.140 4.307 3.998 4.630 . 0 0 "[ . 1 . 2]" 1
777 1 44 TYR HB2 1 102 ALA MB . . 4.840 3.220 2.870 3.505 . 0 0 "[ . 1 . 2]" 1
778 1 44 TYR HB3 1 45 LYS H . . 4.530 3.296 2.717 4.139 . 0 0 "[ . 1 . 2]" 1
779 1 44 TYR HB3 1 46 SER H . . 3.940 3.019 2.744 3.472 . 0 0 "[ . 1 . 2]" 1
780 1 44 TYR QD 1 45 LYS H . . 5.500 3.779 2.956 4.742 . 0 0 "[ . 1 . 2]" 1
781 1 44 TYR QD 1 102 ALA MB . . 3.250 2.552 2.087 3.053 . 0 0 "[ . 1 . 2]" 1
782 1 44 TYR QE 1 102 ALA MB . . 3.890 3.345 3.029 3.859 . 0 0 "[ . 1 . 2]" 1
783 1 45 LYS H 1 45 LYS QB . . 3.530 2.486 2.294 2.630 . 0 0 "[ . 1 . 2]" 1
784 1 45 LYS H 1 45 LYS QD . . 4.400 3.636 2.460 4.493 0.093 19 0 "[ . 1 . 2]" 1
785 1 45 LYS H 1 45 LYS QG . . 4.110 3.445 2.697 3.908 . 0 0 "[ . 1 . 2]" 1
786 1 45 LYS H 1 46 SER H . . 3.290 2.505 1.896 3.164 . 0 0 "[ . 1 . 2]" 1
787 1 45 LYS H 1 102 ALA MB . . 4.910 4.751 4.081 5.013 0.103 5 0 "[ . 1 . 2]" 1
788 1 45 LYS HA 1 45 LYS QD . . 3.980 3.820 3.326 4.049 0.069 18 0 "[ . 1 . 2]" 1
789 1 45 LYS HA 1 45 LYS QG . . 3.600 2.205 1.997 2.428 . 0 0 "[ . 1 . 2]" 1
790 1 45 LYS HA 1 79 ASN HA . . 4.610 3.298 2.647 3.903 . 0 0 "[ . 1 . 2]" 1
791 1 45 LYS HA 1 79 ASN HB2 . . 3.770 3.017 1.918 3.624 . 0 0 "[ . 1 . 2]" 1
792 1 45 LYS HA 1 79 ASN HB3 . . 3.370 2.758 2.043 3.457 0.087 7 0 "[ . 1 . 2]" 1
793 1 45 LYS HA 1 79 ASN QD . . 5.100 4.694 4.084 4.988 . 0 0 "[ . 1 . 2]" 1
794 1 45 LYS QB 1 46 SER H . . 4.340 3.735 3.217 3.928 . 0 0 "[ . 1 . 2]" 1
795 1 45 LYS QB 1 46 SER HB2 . . 5.040 5.279 4.535 5.873 0.833 3 6 "[ + * * 1 * . -*2]" 1
796 1 45 LYS QB 1 79 ASN HB3 . . 4.930 3.352 2.391 4.142 . 0 0 "[ . 1 . 2]" 1
797 1 45 LYS QD 1 45 LYS QG . . 2.400 2.097 2.019 2.136 . 0 0 "[ . 1 . 2]" 1
798 1 45 LYS QD 1 79 ASN QD . . 5.500 4.482 3.881 5.110 . 0 0 "[ . 1 . 2]" 1
799 1 45 LYS QE 1 45 LYS QG . . 3.090 2.170 2.004 2.523 . 0 0 "[ . 1 . 2]" 1
800 1 45 LYS QG 1 46 SER H . . 4.670 4.464 4.134 4.548 . 0 0 "[ . 1 . 2]" 1
801 1 45 LYS QG 1 79 ASN HA . . 4.190 3.950 3.626 4.159 . 0 0 "[ . 1 . 2]" 1
802 1 46 SER H 1 46 SER HB2 . . 3.830 3.516 2.561 4.069 0.239 12 0 "[ . 1 . 2]" 1
803 1 46 SER H 1 46 SER HB3 . . 4.010 3.680 2.960 3.953 . 0 0 "[ . 1 . 2]" 1
804 1 46 SER H 1 47 PHE QD . . 5.340 2.661 2.234 3.353 . 0 0 "[ . 1 . 2]" 1
805 1 46 SER H 1 102 ALA MB . . 5.500 3.803 3.131 4.082 . 0 0 "[ . 1 . 2]" 1
806 1 46 SER HA 1 47 PHE H . . 2.970 2.407 2.162 2.902 . 0 0 "[ . 1 . 2]" 1
807 1 46 SER HA 1 47 PHE QD . . 4.530 4.270 3.481 4.614 0.084 9 0 "[ . 1 . 2]" 1
808 1 46 SER HB2 1 47 PHE H . . 4.550 4.228 3.633 4.513 . 0 0 "[ . 1 . 2]" 1
809 1 47 PHE H 1 47 PHE QD . . 4.000 3.039 2.152 3.587 . 0 0 "[ . 1 . 2]" 1
810 1 47 PHE H 1 48 TRP H . . 4.980 4.388 4.259 4.567 . 0 0 "[ . 1 . 2]" 1
811 1 47 PHE H 1 76 ILE MD . . 5.500 4.470 4.105 4.866 . 0 0 "[ . 1 . 2]" 1
812 1 47 PHE H 1 76 ILE MG . . 4.280 3.757 3.156 4.248 . 0 0 "[ . 1 . 2]" 1
813 1 47 PHE H 1 102 ALA MB . . 5.500 4.671 3.580 4.980 . 0 0 "[ . 1 . 2]" 1
814 1 47 PHE HA 1 48 TRP H . . 3.360 2.412 2.293 2.604 . 0 0 "[ . 1 . 2]" 1
815 1 47 PHE HA 1 48 TRP HA . . 5.340 4.557 4.489 4.694 . 0 0 "[ . 1 . 2]" 1
816 1 47 PHE HA 1 48 TRP HE3 . . 4.070 2.871 2.193 3.430 . 0 0 "[ . 1 . 2]" 1
817 1 47 PHE HA 1 48 TRP HZ3 . . 4.480 3.829 3.122 4.546 0.066 5 0 "[ . 1 . 2]" 1
818 1 47 PHE HB2 1 48 TRP H . . 3.740 2.503 2.129 2.746 . 0 0 "[ . 1 . 2]" 1
819 1 47 PHE HB2 1 76 ILE MD . . 5.500 4.131 3.693 4.372 . 0 0 "[ . 1 . 2]" 1
820 1 47 PHE HB2 1 100 VAL HB . . 4.890 2.846 2.415 3.831 . 0 0 "[ . 1 . 2]" 1
821 1 47 PHE HB2 1 102 ALA HA . . 4.980 3.396 2.910 3.931 . 0 0 "[ . 1 . 2]" 1
822 1 47 PHE HB2 1 102 ALA MB . . 3.380 2.937 2.536 3.425 0.045 1 0 "[ . 1 . 2]" 1
823 1 47 PHE HB3 1 48 TRP H . . 4.040 3.836 3.599 3.998 . 0 0 "[ . 1 . 2]" 1
824 1 47 PHE HB3 1 102 ALA MB . . 3.150 2.141 1.982 2.271 . 0 0 "[ . 1 . 2]" 1
825 1 47 PHE QD 1 48 TRP H . . 3.600 3.364 3.010 3.646 0.046 8 0 "[ . 1 . 2]" 1
826 1 47 PHE QD 1 76 ILE MD . . 2.710 2.435 2.166 2.693 . 0 0 "[ . 1 . 2]" 1
827 1 47 PHE QD 1 76 ILE HG12 . . 5.500 3.899 3.304 4.259 . 0 0 "[ . 1 . 2]" 1
828 1 47 PHE QD 1 76 ILE HG13 . . 5.310 4.972 4.475 5.242 . 0 0 "[ . 1 . 2]" 1
829 1 47 PHE QD 1 76 ILE MG . . 3.740 3.491 3.204 3.844 0.104 5 0 "[ . 1 . 2]" 1
830 1 47 PHE QD 1 100 VAL HA . . 5.200 4.500 3.964 5.183 . 0 0 "[ . 1 . 2]" 1
831 1 47 PHE QD 1 100 VAL HB . . 2.960 2.383 2.108 3.033 0.073 19 0 "[ . 1 . 2]" 1
832 1 47 PHE QD 1 100 VAL MG1 . . 3.860 2.621 2.128 3.305 . 0 0 "[ . 1 . 2]" 1
833 1 47 PHE QD 1 100 VAL MG2 . . 3.500 3.060 2.455 3.568 0.068 19 0 "[ . 1 . 2]" 1
834 1 47 PHE QD 1 101 GLU H . . 5.500 4.548 3.689 5.427 . 0 0 "[ . 1 . 2]" 1
835 1 47 PHE QD 1 102 ALA MB . . 3.780 3.560 3.096 3.857 0.077 8 0 "[ . 1 . 2]" 1
836 1 47 PHE QE 1 76 ILE MD . . 2.830 2.706 2.398 2.929 0.099 6 0 "[ . 1 . 2]" 1
837 1 47 PHE QE 1 76 ILE HG12 . . 4.610 2.406 2.177 2.770 . 0 0 "[ . 1 . 2]" 1
838 1 47 PHE QE 1 76 ILE HG13 . . 5.330 3.961 3.650 4.284 . 0 0 "[ . 1 . 2]" 1
839 1 47 PHE QE 1 76 ILE MG . . 3.760 2.954 2.664 3.365 . 0 0 "[ . 1 . 2]" 1
840 1 47 PHE QE 1 80 GLU HA . . 5.260 5.012 4.390 5.340 0.080 1 0 "[ . 1 . 2]" 1
841 1 47 PHE QE 1 81 LEU HB2 . . 3.120 2.212 2.049 2.577 . 0 0 "[ . 1 . 2]" 1
842 1 47 PHE QE 1 81 LEU HB3 . . 3.480 3.502 3.101 3.589 0.109 8 0 "[ . 1 . 2]" 1
843 1 47 PHE QE 1 81 LEU QD . . 3.420 2.874 2.336 3.269 . 0 0 "[ . 1 . 2]" 1
844 1 47 PHE QE 1 100 VAL HB . . 5.030 4.168 3.505 4.870 . 0 0 "[ . 1 . 2]" 1
845 1 47 PHE QE 1 100 VAL MG1 . . 3.980 2.947 2.414 3.712 . 0 0 "[ . 1 . 2]" 1
846 1 47 PHE HZ 1 76 ILE HG12 . . 3.960 3.690 3.257 4.024 0.064 2 0 "[ . 1 . 2]" 1
847 1 47 PHE HZ 1 76 ILE MG . . 3.880 3.003 2.539 3.523 . 0 0 "[ . 1 . 2]" 1
848 1 47 PHE HZ 1 80 GLU HA . . 4.670 4.243 3.731 4.747 0.077 3 0 "[ . 1 . 2]" 1
849 1 47 PHE HZ 1 81 LEU H . . 3.790 3.178 2.542 3.870 0.080 3 0 "[ . 1 . 2]" 1
850 1 47 PHE HZ 1 81 LEU HB2 . . 3.560 2.355 2.024 2.965 . 0 0 "[ . 1 . 2]" 1
851 1 47 PHE HZ 1 81 LEU HB3 . . 4.580 3.269 2.464 3.771 . 0 0 "[ . 1 . 2]" 1
852 1 47 PHE HZ 1 81 LEU QD . . 4.360 3.898 3.533 4.137 . 0 0 "[ . 1 . 2]" 1
853 1 48 TRP H 1 48 TRP HD1 . . 5.000 4.312 3.897 4.751 . 0 0 "[ . 1 . 2]" 1
854 1 48 TRP H 1 48 TRP HE3 . . 4.380 3.425 2.768 3.943 . 0 0 "[ . 1 . 2]" 1
855 1 48 TRP H 1 49 ILE H . . 5.160 4.352 4.282 4.408 . 0 0 "[ . 1 . 2]" 1
856 1 48 TRP H 1 49 ILE HA . . 5.500 4.998 4.818 5.194 . 0 0 "[ . 1 . 2]" 1
857 1 48 TRP H 1 76 ILE MD . . 5.300 3.820 3.471 4.111 . 0 0 "[ . 1 . 2]" 1
858 1 48 TRP H 1 100 VAL HB . . 5.090 3.395 2.901 4.485 . 0 0 "[ . 1 . 2]" 1
859 1 48 TRP H 1 102 ALA HA . . 5.300 4.129 3.546 4.710 . 0 0 "[ . 1 . 2]" 1
860 1 48 TRP H 1 102 ALA MB . . 4.930 4.627 4.192 4.982 0.052 1 0 "[ . 1 . 2]" 1
861 1 48 TRP HA 1 48 TRP HD1 . . 4.610 4.424 4.242 4.574 . 0 0 "[ . 1 . 2]" 1
862 1 48 TRP HA 1 49 ILE H . . 3.370 2.361 2.185 2.561 . 0 0 "[ . 1 . 2]" 1
863 1 48 TRP HA 1 49 ILE HB . . 4.940 4.723 4.468 5.014 0.074 9 0 "[ . 1 . 2]" 1
864 1 48 TRP HA 1 49 ILE QG . . 4.960 3.358 3.264 3.518 . 0 0 "[ . 1 . 2]" 1
865 1 48 TRP HA 1 64 TYR QB . . 5.020 4.097 3.657 4.818 . 0 0 "[ . 1 . 2]" 1
866 1 48 TRP HA 1 76 ILE HB . . 4.970 4.410 4.095 4.817 . 0 0 "[ . 1 . 2]" 1
867 1 48 TRP HA 1 76 ILE MD . . 3.440 2.191 2.020 2.446 . 0 0 "[ . 1 . 2]" 1
868 1 48 TRP HB2 1 48 TRP HD1 . . 3.460 2.645 2.520 2.832 . 0 0 "[ . 1 . 2]" 1
869 1 48 TRP HB2 1 49 ILE H . . 3.780 2.170 1.876 2.424 . 0 0 "[ . 1 . 2]" 1
870 1 48 TRP HB2 1 49 ILE QG . . 5.500 4.188 3.993 4.373 . 0 0 "[ . 1 . 2]" 1
871 1 48 TRP HB2 1 64 TYR QD . . 5.040 3.025 2.348 3.698 . 0 0 "[ . 1 . 2]" 1
872 1 48 TRP HB2 1 76 ILE MD . . 5.500 3.977 3.681 4.279 . 0 0 "[ . 1 . 2]" 1
873 1 48 TRP HB3 1 49 ILE H . . 3.970 3.553 3.371 3.719 . 0 0 "[ . 1 . 2]" 1
874 1 48 TRP HB3 1 49 ILE QG . . 5.500 5.196 5.073 5.340 . 0 0 "[ . 1 . 2]" 1
875 1 48 TRP HB3 1 64 TYR QD . . 5.000 4.064 2.621 4.910 . 0 0 "[ . 1 . 2]" 1
876 1 48 TRP HB3 1 76 ILE MD . . 5.500 4.085 3.755 4.462 . 0 0 "[ . 1 . 2]" 1
877 1 48 TRP HD1 1 49 ILE H . . 4.320 3.454 3.022 3.842 . 0 0 "[ . 1 . 2]" 1
878 1 48 TRP HD1 1 64 TYR QB . . 5.070 3.997 3.115 4.848 . 0 0 "[ . 1 . 2]" 1
879 1 48 TRP HE1 1 50 SER HA . . 4.970 4.567 3.058 5.056 0.086 20 0 "[ . 1 . 2]" 1
880 1 48 TRP HE1 1 50 SER HB3 . . 5.500 4.049 3.507 4.675 . 0 0 "[ . 1 . 2]" 1
881 1 48 TRP HE1 1 64 TYR QD . . 5.410 4.451 3.843 5.106 . 0 0 "[ . 1 . 2]" 1
882 1 48 TRP HE1 1 64 TYR QE . . 4.720 4.335 3.111 4.818 0.098 2 0 "[ . 1 . 2]" 1
883 1 48 TRP HE1 1 101 GLU HB2 . . 5.500 4.812 2.932 5.562 0.062 1 0 "[ . 1 . 2]" 1
884 1 48 TRP HE1 1 101 GLU HB3 . . 4.930 4.199 3.213 5.036 0.106 10 0 "[ . 1 . 2]" 1
885 1 48 TRP HE3 1 102 ALA HA . . 5.090 4.531 3.439 5.145 0.055 1 0 "[ . 1 . 2]" 1
886 1 48 TRP HZ2 1 101 GLU HB3 . . 5.130 4.321 2.729 5.609 0.479 10 0 "[ . 1 . 2]" 1
887 1 49 ILE H 1 49 ILE HB . . 3.480 2.467 2.298 2.751 . 0 0 "[ . 1 . 2]" 1
888 1 49 ILE H 1 49 ILE QG . . 3.920 2.277 2.045 2.830 . 0 0 "[ . 1 . 2]" 1
889 1 49 ILE H 1 61 ASN HD21 . . 5.500 5.104 4.283 5.566 0.066 12 0 "[ . 1 . 2]" 1
890 1 49 ILE H 1 64 TYR H . . 5.470 5.459 4.959 5.542 0.072 19 0 "[ . 1 . 2]" 1
891 1 49 ILE H 1 64 TYR HA . . 4.110 2.895 2.356 3.396 . 0 0 "[ . 1 . 2]" 1
892 1 49 ILE H 1 64 TYR QB . . 4.790 3.786 3.502 3.954 . 0 0 "[ . 1 . 2]" 1
893 1 49 ILE H 1 64 TYR QD . . 4.180 3.999 3.530 4.278 0.098 14 0 "[ . 1 . 2]" 1
894 1 49 ILE H 1 76 ILE HB . . 5.500 5.465 5.095 5.586 0.086 14 0 "[ . 1 . 2]" 1
895 1 49 ILE H 1 76 ILE MD . . 3.890 2.987 2.657 3.410 . 0 0 "[ . 1 . 2]" 1
896 1 49 ILE HA 1 49 ILE QG . . 3.760 2.961 2.774 3.083 . 0 0 "[ . 1 . 2]" 1
897 1 49 ILE HA 1 49 ILE MG . . 3.410 2.340 2.148 2.441 . 0 0 "[ . 1 . 2]" 1
898 1 49 ILE HA 1 50 SER H . . 3.330 2.288 2.152 2.412 . 0 0 "[ . 1 . 2]" 1
899 1 49 ILE HA 1 50 SER HA . . 5.220 4.465 4.375 4.514 . 0 0 "[ . 1 . 2]" 1
900 1 49 ILE HA 1 51 SER H . . 4.520 3.735 3.393 4.176 . 0 0 "[ . 1 . 2]" 1
901 1 49 ILE HA 1 100 VAL HA . . 3.710 3.116 2.622 3.508 . 0 0 "[ . 1 . 2]" 1
902 1 49 ILE HA 1 100 VAL HB . . 4.940 4.435 4.143 4.921 . 0 0 "[ . 1 . 2]" 1
903 1 49 ILE HA 1 100 VAL MG1 . . 3.650 2.538 2.102 3.089 . 0 0 "[ . 1 . 2]" 1
904 1 49 ILE HA 1 101 GLU H . . 4.800 4.611 4.173 4.873 0.073 1 0 "[ . 1 . 2]" 1
905 1 49 ILE HB 1 50 SER H . . 5.500 4.332 4.076 4.520 . 0 0 "[ . 1 . 2]" 1
906 1 49 ILE HB 1 61 ASN HD21 . . 5.150 3.073 1.959 4.150 . 0 0 "[ . 1 . 2]" 1
907 1 49 ILE HB 1 61 ASN HD22 . . 5.290 2.868 2.301 3.598 . 0 0 "[ . 1 . 2]" 1
908 1 49 ILE HB 1 64 TYR HA . . 3.770 3.115 2.634 3.830 0.060 9 0 "[ . 1 . 2]" 1
909 1 49 ILE HB 1 64 TYR QD . . 4.690 4.396 3.936 4.783 0.093 14 0 "[ . 1 . 2]" 1
910 1 49 ILE HB 1 67 PHE HB2 . . 5.340 4.359 3.666 5.069 . 0 0 "[ . 1 . 2]" 1
911 1 49 ILE MD 1 67 PHE HB2 . . 4.960 3.980 3.149 4.588 . 0 0 "[ . 1 . 2]" 1
912 1 49 ILE MD 1 74 VAL HB . . 3.240 3.234 2.952 3.352 0.112 9 0 "[ . 1 . 2]" 1
913 1 49 ILE QG 1 50 SER H . . 5.360 4.872 4.706 4.978 . 0 0 "[ . 1 . 2]" 1
914 1 49 ILE QG 1 61 ASN HD22 . . 5.500 3.714 3.037 4.587 . 0 0 "[ . 1 . 2]" 1
915 1 49 ILE QG 1 65 LYS H . . 5.330 3.978 3.181 4.729 . 0 0 "[ . 1 . 2]" 1
916 1 49 ILE QG 1 65 LYS HA . . 5.350 3.085 2.404 4.228 . 0 0 "[ . 1 . 2]" 1
917 1 49 ILE QG 1 66 GLU H . . 4.120 3.393 2.831 3.998 . 0 0 "[ . 1 . 2]" 1
918 1 49 ILE QG 1 66 GLU HA . . 3.910 3.792 3.595 3.866 . 0 0 "[ . 1 . 2]" 1
919 1 49 ILE QG 1 67 PHE HB2 . . 4.090 3.576 3.095 4.066 . 0 0 "[ . 1 . 2]" 1
920 1 49 ILE QG 1 74 VAL HB . . 3.790 3.718 2.959 3.785 . 0 0 "[ . 1 . 2]" 1
921 1 49 ILE QG 1 76 ILE MD . . 3.640 2.150 2.035 2.290 . 0 0 "[ . 1 . 2]" 1
922 1 49 ILE MG 1 50 SER H . . 3.740 3.031 2.766 3.413 . 0 0 "[ . 1 . 2]" 1
923 1 49 ILE MG 1 50 SER HA . . 3.850 3.614 3.203 3.960 0.110 16 0 "[ . 1 . 2]" 1
924 1 49 ILE MG 1 50 SER HB2 . . 5.360 4.960 4.737 5.241 . 0 0 "[ . 1 . 2]" 1
925 1 49 ILE MG 1 50 SER HB3 . . 5.290 5.280 4.782 5.460 0.170 5 0 "[ . 1 . 2]" 1
926 1 49 ILE MG 1 51 SER H . . 3.620 3.004 2.554 3.705 0.085 14 0 "[ . 1 . 2]" 1
927 1 49 ILE MG 1 51 SER HA . . 4.310 4.265 3.919 4.419 0.109 20 0 "[ . 1 . 2]" 1
928 1 49 ILE MG 1 52 VAL H . . 4.750 4.759 4.538 4.845 0.095 15 0 "[ . 1 . 2]" 1
929 1 49 ILE MG 1 61 ASN HB2 . . 5.360 3.470 2.423 4.565 . 0 0 "[ . 1 . 2]" 1
930 1 49 ILE MG 1 61 ASN HB3 . . 5.500 3.987 2.937 5.390 . 0 0 "[ . 1 . 2]" 1
931 1 49 ILE MG 1 61 ASN HD21 . . 4.930 2.909 2.061 4.027 . 0 0 "[ . 1 . 2]" 1
932 1 49 ILE MG 1 61 ASN HD22 . . 4.880 2.725 1.752 3.572 . 0 0 "[ . 1 . 2]" 1
933 1 49 ILE MG 1 66 GLU H . . 5.500 4.930 4.493 5.460 . 0 0 "[ . 1 . 2]" 1
934 1 49 ILE MG 1 67 PHE HB2 . . 4.580 2.751 2.372 3.309 . 0 0 "[ . 1 . 2]" 1
935 1 49 ILE MG 1 100 VAL HA . . 4.720 4.652 4.065 4.830 0.110 14 0 "[ . 1 . 2]" 1
936 1 50 SER H 1 51 SER H . . 3.330 2.146 1.872 2.847 . 0 0 "[ . 1 . 2]" 1
937 1 50 SER H 1 100 VAL HA . . 3.620 3.084 2.471 3.694 0.074 2 0 "[ . 1 . 2]" 1
938 1 50 SER H 1 100 VAL HB . . 5.480 5.267 4.589 5.559 0.079 2 0 "[ . 1 . 2]" 1
939 1 50 SER H 1 100 VAL MG1 . . 5.220 3.862 3.279 4.479 . 0 0 "[ . 1 . 2]" 1
940 1 50 SER H 1 101 GLU H . . 4.580 4.283 3.691 4.652 0.072 12 0 "[ . 1 . 2]" 1
941 1 50 SER HB2 1 51 SER H . . 4.420 3.945 2.310 4.482 0.062 4 0 "[ . 1 . 2]" 1
942 1 50 SER HB3 1 51 SER H . . 4.380 3.727 2.792 4.437 0.057 7 0 "[ . 1 . 2]" 1
943 1 50 SER HB3 1 101 GLU H . . 5.500 5.207 3.625 5.713 0.213 17 0 "[ . 1 . 2]" 1
944 1 51 SER H 1 52 VAL H . . 4.850 4.312 4.125 4.520 . 0 0 "[ . 1 . 2]" 1
945 1 51 SER H 1 100 VAL MG1 . . 5.500 4.872 4.257 5.525 0.025 17 0 "[ . 1 . 2]" 1
946 1 51 SER HA 1 52 VAL H . . 3.270 2.244 2.045 2.416 . 0 0 "[ . 1 . 2]" 1
947 1 51 SER HA 1 52 VAL HB . . 5.200 4.531 4.204 4.865 . 0 0 "[ . 1 . 2]" 1
948 1 51 SER HA 1 52 VAL QG . . 4.990 3.483 3.138 3.882 . 0 0 "[ . 1 . 2]" 1
949 1 51 SER HB2 1 52 VAL H . . 4.120 3.679 2.453 4.284 0.164 11 0 "[ . 1 . 2]" 1
950 1 51 SER HB2 1 58 PHE QR . . 5.350 3.087 1.916 4.731 . 0 0 "[ . 1 . 2]" 1
951 1 51 SER HB3 1 58 PHE QR . . 4.740 2.757 2.077 5.115 0.375 12 0 "[ . 1 . 2]" 1
952 1 52 VAL H 1 52 VAL HB . . 3.590 3.015 2.533 3.564 . 0 0 "[ . 1 . 2]" 1
953 1 52 VAL H 1 52 VAL QG . . 3.790 2.730 2.289 3.084 . 0 0 "[ . 1 . 2]" 1
954 1 52 VAL H 1 53 LYS QB . . 5.350 4.879 4.484 5.308 . 0 0 "[ . 1 . 2]" 1
955 1 52 VAL H 1 58 PHE QD . . 5.500 3.927 2.512 4.833 . 0 0 "[ . 1 . 2]" 1
956 1 52 VAL HA 1 52 VAL QG . . 3.120 2.261 2.157 2.473 . 0 0 "[ . 1 . 2]" 1
957 1 52 VAL HA 1 53 LYS H . . 3.150 2.265 2.136 2.544 . 0 0 "[ . 1 . 2]" 1
958 1 52 VAL HA 1 97 THR H . . 4.190 4.078 3.716 4.273 0.083 6 0 "[ . 1 . 2]" 1
959 1 52 VAL HA 1 97 THR HB . . 4.300 4.136 3.585 4.383 0.083 11 0 "[ . 1 . 2]" 1
960 1 52 VAL HB 1 53 LYS H . . 4.570 4.015 3.327 4.512 . 0 0 "[ . 1 . 2]" 1
961 1 52 VAL HB 1 67 PHE QE . . 5.500 4.365 3.652 5.018 . 0 0 "[ . 1 . 2]" 1
962 1 52 VAL QG 1 53 LYS H . . 3.430 2.470 1.854 3.194 . 0 0 "[ . 1 . 2]" 1
963 1 52 VAL QG 1 53 LYS HA . . 5.190 3.507 3.077 3.885 . 0 0 "[ . 1 . 2]" 1
964 1 52 VAL QG 1 54 GLU QB . . 4.660 3.104 2.437 3.897 . 0 0 "[ . 1 . 2]" 1
965 1 52 VAL QG 1 59 LYS H . . 4.930 3.757 2.641 4.417 . 0 0 "[ . 1 . 2]" 1
966 1 52 VAL QG 1 59 LYS HD2 . . 5.500 3.341 2.111 4.779 . 0 0 "[ . 1 . 2]" 1
967 1 52 VAL QG 1 59 LYS HD3 . . 5.340 3.967 2.275 5.298 . 0 0 "[ . 1 . 2]" 1
968 1 52 VAL QG 1 59 LYS QE . . 4.820 3.528 2.939 4.275 . 0 0 "[ . 1 . 2]" 1
969 1 52 VAL QG 1 59 LYS QG . . 3.930 2.621 1.964 3.916 . 0 0 "[ . 1 . 2]" 1
970 1 52 VAL QG 1 67 PHE QD . . 3.720 2.747 2.259 3.258 . 0 0 "[ . 1 . 2]" 1
971 1 52 VAL QG 1 67 PHE QE . . 3.650 2.592 2.261 3.080 . 0 0 "[ . 1 . 2]" 1
972 1 52 VAL QG 1 72 TYR QD . . 4.150 4.013 3.486 4.208 0.058 18 0 "[ . 1 . 2]" 1
973 1 52 VAL QG 1 96 PHE HB3 . . 5.490 4.671 3.860 5.361 . 0 0 "[ . 1 . 2]" 1
974 1 52 VAL QG 1 96 PHE QD . . 3.600 2.947 2.205 3.658 0.058 8 0 "[ . 1 . 2]" 1
975 1 52 VAL QG 1 97 THR H . . 4.220 3.607 3.154 4.207 . 0 0 "[ . 1 . 2]" 1
976 1 53 LYS H 1 53 LYS QB . . 3.430 2.601 2.359 3.159 . 0 0 "[ . 1 . 2]" 1
977 1 53 LYS H 1 53 LYS QG . . 4.430 3.732 2.664 4.048 . 0 0 "[ . 1 . 2]" 1
978 1 53 LYS H 1 54 GLU QB . . 5.500 4.601 4.103 4.973 . 0 0 "[ . 1 . 2]" 1
979 1 53 LYS H 1 96 PHE HA . . 5.500 4.186 3.776 4.587 . 0 0 "[ . 1 . 2]" 1
980 1 53 LYS H 1 96 PHE HB3 . . 5.500 5.025 4.423 5.562 0.062 2 0 "[ . 1 . 2]" 1
981 1 53 LYS H 1 97 THR H . . 3.900 2.533 2.205 2.845 . 0 0 "[ . 1 . 2]" 1
982 1 53 LYS H 1 97 THR HB . . 4.340 3.218 2.593 3.790 . 0 0 "[ . 1 . 2]" 1
983 1 53 LYS H 1 97 THR MG . . 5.370 4.522 4.085 4.970 . 0 0 "[ . 1 . 2]" 1
984 1 53 LYS HA 1 53 LYS QG . . 3.580 2.831 2.613 3.413 . 0 0 "[ . 1 . 2]" 1
985 1 53 LYS HA 1 54 GLU H . . 2.950 2.262 2.148 2.455 . 0 0 "[ . 1 . 2]" 1
986 1 53 LYS HA 1 57 LYS H . . 5.150 4.518 4.298 4.903 . 0 0 "[ . 1 . 2]" 1
987 1 53 LYS HA 1 58 PHE HA . . 3.490 2.455 2.007 3.428 . 0 0 "[ . 1 . 2]" 1
988 1 53 LYS HA 1 58 PHE QR . . 5.060 3.783 3.161 4.635 . 0 0 "[ . 1 . 2]" 1
989 1 53 LYS HA 1 59 LYS H . . 3.950 3.537 2.658 4.018 0.068 18 0 "[ . 1 . 2]" 1
990 1 53 LYS QB 1 53 LYS QD . . 3.180 2.348 2.202 2.497 . 0 0 "[ . 1 . 2]" 1
991 1 53 LYS QB 1 53 LYS HE3 . . 4.260 2.550 1.949 3.246 . 0 0 "[ . 1 . 2]" 1
992 1 53 LYS QB 1 54 GLU H . . 3.590 3.520 2.737 3.682 0.092 5 0 "[ . 1 . 2]" 1
993 1 53 LYS QB 1 56 GLY H . . 5.500 4.545 2.747 5.103 . 0 0 "[ . 1 . 2]" 1
994 1 53 LYS QB 1 56 GLY HA2 . . 5.500 4.900 3.646 5.406 . 0 0 "[ . 1 . 2]" 1
995 1 53 LYS QB 1 57 LYS H . . 4.710 4.341 2.725 4.787 0.077 3 0 "[ . 1 . 2]" 1
996 1 53 LYS QB 1 58 PHE QD . . 3.670 2.492 2.066 3.115 . 0 0 "[ . 1 . 2]" 1
997 1 53 LYS QB 1 58 PHE QR . . 4.070 2.358 2.034 2.903 . 0 0 "[ . 1 . 2]" 1
998 1 53 LYS QB 1 97 THR H . . 4.180 3.085 2.370 4.266 0.086 18 0 "[ . 1 . 2]" 1
999 1 53 LYS QB 1 97 THR HB . . 3.710 2.357 2.023 3.680 . 0 0 "[ . 1 . 2]" 1
1000 1 53 LYS QB 1 97 THR MG . . 4.700 3.779 3.227 4.806 0.106 15 0 "[ . 1 . 2]" 1
1001 1 53 LYS QD 1 54 GLU H . . 5.500 4.463 3.995 4.842 . 0 0 "[ . 1 . 2]" 1
1002 1 53 LYS QD 1 56 GLY H . . 5.500 3.044 2.439 3.637 . 0 0 "[ . 1 . 2]" 1
1003 1 53 LYS QD 1 56 GLY HA2 . . 4.490 2.302 2.101 2.943 . 0 0 "[ . 1 . 2]" 1
1004 1 53 LYS QD 1 56 GLY HA3 . . 5.140 3.797 3.529 4.550 . 0 0 "[ . 1 . 2]" 1
1005 1 53 LYS QD 1 57 LYS H . . 5.500 3.582 2.673 4.342 . 0 0 "[ . 1 . 2]" 1
1006 1 53 LYS QD 1 58 PHE QD . . 3.860 3.322 2.531 3.968 0.108 20 0 "[ . 1 . 2]" 1
1007 1 53 LYS QD 1 58 PHE QR . . 4.180 2.994 2.437 3.608 . 0 0 "[ . 1 . 2]" 1
1008 1 53 LYS QD 1 58 PHE QE . . 4.080 3.501 2.871 4.162 0.082 17 0 "[ . 1 . 2]" 1
1009 1 53 LYS QD 1 95 SER QB . . 4.760 4.508 3.926 4.722 . 0 0 "[ . 1 . 2]" 1
1010 1 53 LYS QD 1 97 THR HB . . 5.100 4.191 2.837 4.909 . 0 0 "[ . 1 . 2]" 1
1011 1 53 LYS HE2 1 58 PHE QD . . 4.210 3.566 2.244 4.622 0.412 12 0 "[ . 1 . 2]" 1
1012 1 53 LYS HE3 1 53 LYS QG . . 3.770 2.692 2.226 3.015 . 0 0 "[ . 1 . 2]" 1
1013 1 53 LYS HE3 1 56 GLY HA2 . . 4.980 4.821 4.391 5.380 0.400 15 0 "[ . 1 . 2]" 1
1014 1 53 LYS HE3 1 58 PHE QR . . 4.500 3.167 1.768 4.471 . 0 0 "[ . 1 . 2]" 1
1015 1 53 LYS HE3 1 97 THR MG . . 5.420 3.871 2.762 5.423 0.003 5 0 "[ . 1 . 2]" 1
1016 1 53 LYS QG 1 54 GLU H . . 4.060 2.682 2.097 3.490 . 0 0 "[ . 1 . 2]" 1
1017 1 53 LYS QG 1 54 GLU HA . . 3.500 3.487 3.043 3.599 0.099 10 0 "[ . 1 . 2]" 1
1018 1 53 LYS QG 1 56 GLY H . . 5.250 2.656 2.237 3.225 . 0 0 "[ . 1 . 2]" 1
1019 1 53 LYS QG 1 56 GLY HA2 . . 5.300 3.404 3.066 3.752 . 0 0 "[ . 1 . 2]" 1
1020 1 53 LYS QG 1 56 GLY HA3 . . 5.320 4.512 4.153 5.099 . 0 0 "[ . 1 . 2]" 1
1021 1 53 LYS QG 1 57 LYS H . . 4.490 3.105 2.513 4.560 0.070 18 0 "[ . 1 . 2]" 1
1022 1 53 LYS QG 1 58 PHE QE . . 5.140 4.573 3.957 5.202 0.062 10 0 "[ . 1 . 2]" 1
1023 1 53 LYS QG 1 95 SER QB . . 4.550 4.386 4.051 4.528 . 0 0 "[ . 1 . 2]" 1
1024 1 53 LYS QG 1 96 PHE H . . 4.960 4.711 4.292 5.045 0.085 17 0 "[ . 1 . 2]" 1
1025 1 53 LYS QG 1 96 PHE HA . . 4.660 2.886 2.173 3.302 . 0 0 "[ . 1 . 2]" 1
1026 1 53 LYS QG 1 97 THR HB . . 4.990 3.735 2.130 4.324 . 0 0 "[ . 1 . 2]" 1
1027 1 54 GLU H 1 54 GLU QB . . 3.850 3.064 2.707 3.255 . 0 0 "[ . 1 . 2]" 1
1028 1 54 GLU H 1 55 GLU H . . 5.170 1.817 1.617 2.066 . 0 0 "[ . 1 . 2]" 1
1029 1 54 GLU H 1 57 LYS H . . 3.710 3.729 3.517 3.794 0.084 4 0 "[ . 1 . 2]" 1
1030 1 54 GLU H 1 57 LYS QE . . 5.120 4.731 3.814 5.208 0.088 2 0 "[ . 1 . 2]" 1
1031 1 54 GLU HA 1 55 GLU H . . 3.460 3.316 2.987 3.438 . 0 0 "[ . 1 . 2]" 1
1032 1 54 GLU HA 1 55 GLU HB2 . . 5.500 5.078 4.470 6.277 0.777 17 3 "[ * 1 - . + 2]" 1
1033 1 54 GLU HA 1 55 GLU QG . . 5.500 5.167 4.541 5.342 . 0 0 "[ . 1 . 2]" 1
1034 1 54 GLU HA 1 71 TRP HE1 . . 5.500 5.360 4.589 5.578 0.078 10 0 "[ . 1 . 2]" 1
1035 1 54 GLU HA 1 96 PHE HA . . 3.380 2.592 2.003 3.055 . 0 0 "[ . 1 . 2]" 1
1036 1 54 GLU QB 1 55 GLU H . . 5.000 3.836 3.272 4.063 . 0 0 "[ . 1 . 2]" 1
1037 1 54 GLU QB 1 71 TRP HE1 . . 5.500 3.619 2.676 4.361 . 0 0 "[ . 1 . 2]" 1
1038 1 54 GLU QB 1 71 TRP HZ2 . . 4.740 3.642 2.309 4.562 . 0 0 "[ . 1 . 2]" 1
1039 1 54 GLU QB 1 96 PHE HA . . 4.720 4.136 3.565 4.467 . 0 0 "[ . 1 . 2]" 1
1040 1 54 GLU QB 1 97 THR H . . 5.500 4.975 4.613 5.352 . 0 0 "[ . 1 . 2]" 1
1041 1 55 GLU H 1 55 GLU HB2 . . 4.120 2.901 2.408 3.905 . 0 0 "[ . 1 . 2]" 1
1042 1 55 GLU H 1 56 GLY H . . 3.970 2.349 1.929 2.723 . 0 0 "[ . 1 . 2]" 1
1043 1 55 GLU H 1 56 GLY HA2 . . 5.350 4.385 3.956 4.574 . 0 0 "[ . 1 . 2]" 1
1044 1 55 GLU H 1 57 LYS H . . 5.020 2.675 2.386 3.051 . 0 0 "[ . 1 . 2]" 1
1045 1 55 GLU H 1 57 LYS QE . . 5.040 4.421 3.382 5.100 0.060 20 0 "[ . 1 . 2]" 1
1046 1 55 GLU H 1 57 LYS QG . . 5.480 3.717 2.814 4.438 . 0 0 "[ . 1 . 2]" 1
1047 1 55 GLU H 1 96 PHE HA . . 4.870 4.872 4.595 4.948 0.078 12 0 "[ . 1 . 2]" 1
1048 1 55 GLU HA 1 55 GLU QG . . 3.590 2.381 2.048 3.354 . 0 0 "[ . 1 . 2]" 1
1049 1 55 GLU HA 1 56 GLY H . . 3.270 2.888 2.524 3.279 0.009 15 0 "[ . 1 . 2]" 1
1050 1 55 GLU HA 1 57 LYS H . . 4.700 4.231 3.984 4.751 0.051 15 0 "[ . 1 . 2]" 1
1051 1 55 GLU HB2 1 56 GLY H . . 4.420 4.342 3.828 4.499 0.079 16 0 "[ . 1 . 2]" 1
1052 1 55 GLU HB2 1 57 LYS H . . 4.860 3.967 3.134 4.489 . 0 0 "[ . 1 . 2]" 1
1053 1 55 GLU HB2 1 57 LYS QE . . 5.500 3.171 2.027 5.502 0.002 5 0 "[ . 1 . 2]" 1
1054 1 55 GLU HB3 1 56 GLY H . . 4.310 4.255 3.852 4.485 0.175 13 0 "[ . 1 . 2]" 1
1055 1 55 GLU HB3 1 57 LYS H . . 5.210 3.522 2.820 4.926 . 0 0 "[ . 1 . 2]" 1
1056 1 55 GLU HB3 1 57 LYS QE . . 5.420 2.904 1.926 5.097 . 0 0 "[ . 1 . 2]" 1
1057 1 55 GLU QG 1 56 GLY H . . 5.100 4.532 3.095 4.887 . 0 0 "[ . 1 . 2]" 1
1058 1 55 GLU QG 1 57 LYS QE . . 4.970 3.499 1.984 4.232 . 0 0 "[ . 1 . 2]" 1
1059 1 56 GLY H 1 57 LYS H . . 3.620 2.834 2.419 3.124 . 0 0 "[ . 1 . 2]" 1
1060 1 56 GLY H 1 57 LYS QG . . 5.360 4.487 4.033 4.785 . 0 0 "[ . 1 . 2]" 1
1061 1 56 GLY HA3 1 57 LYS QG . . 4.970 4.398 4.090 4.907 . 0 0 "[ . 1 . 2]" 1
1062 1 57 LYS H 1 57 LYS HB2 . . 3.810 3.799 3.696 3.884 0.074 4 0 "[ . 1 . 2]" 1
1063 1 57 LYS H 1 57 LYS HB3 . . 3.590 3.249 2.948 3.501 . 0 0 "[ . 1 . 2]" 1
1064 1 57 LYS H 1 57 LYS QD . . 5.070 3.726 3.043 4.420 . 0 0 "[ . 1 . 2]" 1
1065 1 57 LYS H 1 57 LYS QE . . 4.870 4.027 3.040 4.534 . 0 0 "[ . 1 . 2]" 1
1066 1 57 LYS H 1 57 LYS QG . . 3.760 2.187 1.899 2.422 . 0 0 "[ . 1 . 2]" 1
1067 1 57 LYS H 1 58 PHE H . . 4.510 4.446 4.306 4.555 0.045 18 0 "[ . 1 . 2]" 1
1068 1 57 LYS H 1 58 PHE HA . . 5.500 4.932 4.583 5.258 . 0 0 "[ . 1 . 2]" 1
1069 1 57 LYS HA 1 57 LYS QD . . 4.220 4.000 3.776 4.228 0.008 12 0 "[ . 1 . 2]" 1
1070 1 57 LYS HA 1 57 LYS QG . . 3.460 3.459 3.381 3.530 0.070 10 0 "[ . 1 . 2]" 1
1071 1 57 LYS HA 1 58 PHE H . . 2.830 2.407 2.254 2.632 . 0 0 "[ . 1 . 2]" 1
1072 1 57 LYS HA 1 58 PHE QD . . 4.150 3.479 2.930 4.139 . 0 0 "[ . 1 . 2]" 1
1073 1 57 LYS HB2 1 58 PHE H . . 3.080 2.499 2.321 2.672 . 0 0 "[ . 1 . 2]" 1
1074 1 57 LYS HB3 1 58 PHE H . . 3.710 3.760 3.672 3.784 0.074 4 0 "[ . 1 . 2]" 1
1075 1 57 LYS QD 1 58 PHE H . . 4.850 3.530 2.855 4.066 . 0 0 "[ . 1 . 2]" 1
1076 1 57 LYS QD 1 59 LYS H . . 4.800 4.823 4.595 4.909 0.109 20 0 "[ . 1 . 2]" 1
1077 1 57 LYS QE 1 57 LYS QG . . 3.040 2.118 1.997 2.389 . 0 0 "[ . 1 . 2]" 1
1078 1 57 LYS QG 1 58 PHE H . . 4.360 4.143 3.503 4.431 0.071 15 0 "[ . 1 . 2]" 1
1079 1 58 PHE H 1 58 PHE HB2 . . 3.630 2.278 2.173 2.421 . 0 0 "[ . 1 . 2]" 1
1080 1 58 PHE H 1 58 PHE HB3 . . 3.260 3.521 3.430 3.615 0.355 12 0 "[ . 1 . 2]" 1
1081 1 58 PHE H 1 58 PHE QD . . 3.190 2.872 2.482 3.282 0.092 5 0 "[ . 1 . 2]" 1
1082 1 58 PHE HA 1 58 PHE QD . . 3.230 2.632 2.236 3.019 . 0 0 "[ . 1 . 2]" 1
1083 1 58 PHE HA 1 59 LYS H . . 3.110 2.316 2.087 2.482 . 0 0 "[ . 1 . 2]" 1
1084 1 58 PHE HA 1 59 LYS HB3 . . 5.350 4.623 4.240 5.544 0.194 20 0 "[ . 1 . 2]" 1
1085 1 58 PHE HB2 1 59 LYS H . . 4.130 3.948 3.703 4.286 0.156 12 0 "[ . 1 . 2]" 1
1086 1 58 PHE HB3 1 59 LYS H . . 4.500 2.668 2.314 3.353 . 0 0 "[ . 1 . 2]" 1
1087 1 58 PHE QD 1 59 LYS H . . 4.700 4.001 3.188 4.328 . 0 0 "[ . 1 . 2]" 1
1088 1 59 LYS H 1 59 LYS HB2 . . 3.880 3.635 2.053 3.952 0.072 13 0 "[ . 1 . 2]" 1
1089 1 59 LYS H 1 59 LYS HB3 . . 3.740 3.283 3.145 3.471 . 0 0 "[ . 1 . 2]" 1
1090 1 59 LYS H 1 59 LYS HG3 . . 3.350 2.862 2.261 3.822 0.472 20 0 "[ . 1 . 2]" 1
1091 1 59 LYS HA 1 59 LYS QG . . 3.600 3.231 2.027 3.468 . 0 0 "[ . 1 . 2]" 1
1092 1 59 LYS HA 1 60 GLU H . . 2.910 2.627 2.417 2.954 0.044 14 0 "[ . 1 . 2]" 1
1093 1 59 LYS HA 1 60 GLU QB . . 4.570 4.424 4.062 4.485 . 0 0 "[ . 1 . 2]" 1
1094 1 59 LYS HA 1 60 GLU HG2 . . 4.740 4.420 3.816 4.820 0.080 3 0 "[ . 1 . 2]" 1
1095 1 59 LYS HB2 1 59 LYS QE . . 3.400 2.804 1.996 3.779 0.379 20 0 "[ . 1 . 2]" 1
1096 1 59 LYS HB2 1 60 GLU H . . 3.590 2.319 1.880 3.592 0.002 8 0 "[ . 1 . 2]" 1
1097 1 59 LYS HB2 1 67 PHE QE . . 5.460 5.354 4.261 5.556 0.096 9 0 "[ . 1 . 2]" 1
1098 1 59 LYS HB3 1 59 LYS QE . . 4.770 2.847 2.008 3.894 . 0 0 "[ . 1 . 2]" 1
1099 1 59 LYS HD2 1 60 GLU H . . 4.140 4.022 2.599 4.231 0.091 12 0 "[ . 1 . 2]" 1
1100 1 59 LYS HD2 1 67 PHE QE . . 5.500 3.069 2.005 4.961 . 0 0 "[ . 1 . 2]" 1
1101 1 59 LYS HD3 1 60 GLU H . . 4.140 3.243 2.590 4.226 0.086 7 0 "[ . 1 . 2]" 1
1102 1 59 LYS QE 1 60 GLU H . . 4.690 3.902 2.056 4.528 . 0 0 "[ . 1 . 2]" 1
1103 1 59 LYS QE 1 67 PHE QE . . 4.460 3.008 1.991 3.462 . 0 0 "[ . 1 . 2]" 1
1104 1 59 LYS HG3 1 60 GLU H . . 4.090 3.382 2.425 4.646 0.556 8 1 "[ . + 1 . 2]" 1
1105 1 60 GLU H 1 60 GLU QB . . 3.320 2.350 2.072 2.775 . 0 0 "[ . 1 . 2]" 1
1106 1 60 GLU H 1 60 GLU HG2 . . 3.830 3.245 1.766 3.905 0.075 8 0 "[ . 1 . 2]" 1
1107 1 60 GLU H 1 60 GLU HG3 . . 4.160 3.330 1.914 4.222 0.062 5 0 "[ . 1 . 2]" 1
1108 1 60 GLU HA 1 60 GLU HG2 . . 3.530 2.605 2.173 3.800 0.270 4 0 "[ . 1 . 2]" 1
1109 1 60 GLU HA 1 60 GLU HG3 . . 3.710 3.515 3.071 3.780 0.070 7 0 "[ . 1 . 2]" 1
1110 1 60 GLU HA 1 61 ASN H . . 2.810 2.551 2.320 2.728 . 0 0 "[ . 1 . 2]" 1
1111 1 60 GLU HA 1 61 ASN HB2 . . 4.910 4.321 3.753 5.679 0.769 3 1 "[ + . 1 . 2]" 1
1112 1 60 GLU QB 1 60 GLU HG2 . . 2.790 2.429 2.147 2.556 . 0 0 "[ . 1 . 2]" 1
1113 1 61 ASN H 1 61 ASN HB2 . . 3.680 3.026 2.464 3.901 0.221 3 0 "[ . 1 . 2]" 1
1114 1 61 ASN H 1 61 ASN HB3 . . 3.810 2.944 2.518 3.423 . 0 0 "[ . 1 . 2]" 1
1115 1 61 ASN H 1 61 ASN HD21 . . 5.500 5.155 4.797 5.553 0.053 18 0 "[ . 1 . 2]" 1
1116 1 61 ASN H 1 62 THR H . . 4.280 4.277 3.925 4.366 0.086 6 0 "[ . 1 . 2]" 1
1117 1 61 ASN H 1 62 THR MG . . 5.500 5.266 4.374 5.611 0.111 11 0 "[ . 1 . 2]" 1
1118 1 61 ASN HA 1 61 ASN HD21 . . 4.600 3.757 2.802 4.584 . 0 0 "[ . 1 . 2]" 1
1119 1 61 ASN HA 1 61 ASN HD22 . . 5.180 4.120 3.556 5.163 . 0 0 "[ . 1 . 2]" 1
1120 1 61 ASN HA 1 62 THR H . . 3.130 2.291 2.069 2.661 . 0 0 "[ . 1 . 2]" 1
1121 1 61 ASN HA 1 62 THR MG . . 4.890 3.618 3.287 3.959 . 0 0 "[ . 1 . 2]" 1
1122 1 61 ASN HA 1 67 PHE QD . . 3.840 3.396 2.674 3.932 0.092 15 0 "[ . 1 . 2]" 1
1123 1 61 ASN HB2 1 61 ASN HD21 . . 3.490 3.063 2.332 3.560 0.070 20 0 "[ . 1 . 2]" 1
1124 1 61 ASN HB2 1 62 THR H . . 4.970 4.124 2.655 4.640 . 0 0 "[ . 1 . 2]" 1
1125 1 61 ASN HB2 1 63 SER H . . 4.980 4.601 3.844 5.059 0.079 20 0 "[ . 1 . 2]" 1
1126 1 61 ASN HB3 1 62 THR H . . 5.060 3.764 2.497 4.325 . 0 0 "[ . 1 . 2]" 1
1127 1 61 ASN HB3 1 62 THR HA . . 5.190 4.808 3.951 5.908 0.718 3 1 "[ + . 1 . 2]" 1
1128 1 61 ASN HB3 1 63 SER H . . 4.950 3.625 2.401 4.821 . 0 0 "[ . 1 . 2]" 1
1129 1 61 ASN HD21 1 62 THR H . . 5.500 3.841 2.973 5.560 0.060 18 0 "[ . 1 . 2]" 1
1130 1 61 ASN HD21 1 63 SER H . . 5.160 2.973 2.053 4.352 . 0 0 "[ . 1 . 2]" 1
1131 1 61 ASN HD22 1 63 SER H . . 5.260 3.186 2.497 4.269 . 0 0 "[ . 1 . 2]" 1
1132 1 61 ASN HD22 1 67 PHE QD . . 4.550 3.581 2.631 4.644 0.094 12 0 "[ . 1 . 2]" 1
1133 1 62 THR H 1 62 THR MG . . 3.720 2.188 1.908 2.596 . 0 0 "[ . 1 . 2]" 1
1134 1 62 THR H 1 63 SER H . . 3.230 2.388 1.633 3.064 . 0 0 "[ . 1 . 2]" 1
1135 1 62 THR HA 1 62 THR MG . . 3.110 3.044 2.272 3.218 0.108 8 0 "[ . 1 . 2]" 1
1136 1 62 THR HA 1 63 SER H . . 3.160 3.190 2.974 3.248 0.088 6 0 "[ . 1 . 2]" 1
1137 1 62 THR MG 1 63 SER H . . 4.310 3.534 2.990 4.390 0.080 9 0 "[ . 1 . 2]" 1
1138 1 62 THR MG 1 67 PHE QD . . 3.900 3.816 3.109 4.028 0.128 14 0 "[ . 1 . 2]" 1
1139 1 62 THR MG 1 67 PHE QE . . 4.260 3.884 2.285 4.378 0.118 11 0 "[ . 1 . 2]" 1
1140 1 63 SER H 1 63 SER HB2 . . 3.480 3.192 2.775 3.605 0.125 15 0 "[ . 1 . 2]" 1
1141 1 63 SER H 1 63 SER HB3 . . 4.080 3.426 2.682 4.017 . 0 0 "[ . 1 . 2]" 1
1142 1 63 SER H 1 64 TYR H . . 4.730 4.262 3.727 4.389 . 0 0 "[ . 1 . 2]" 1
1143 1 63 SER H 1 67 PHE QD . . 5.170 4.654 3.985 5.243 0.073 13 0 "[ . 1 . 2]" 1
1144 1 63 SER HA 1 64 TYR H . . 3.370 2.453 2.044 2.791 . 0 0 "[ . 1 . 2]" 1
1145 1 63 SER HB2 1 65 LYS H . . 4.910 3.951 2.778 4.759 . 0 0 "[ . 1 . 2]" 1
1146 1 63 SER HB2 1 66 GLU H . . 4.060 3.583 2.308 4.499 0.439 15 0 "[ . 1 . 2]" 1
1147 1 63 SER HB2 1 66 GLU QB . . 4.670 3.476 2.416 4.734 0.064 19 0 "[ . 1 . 2]" 1
1148 1 63 SER HB3 1 64 TYR H . . 4.040 3.122 2.108 4.189 0.149 15 0 "[ . 1 . 2]" 1
1149 1 63 SER HB3 1 66 GLU H . . 4.570 3.012 2.284 4.288 . 0 0 "[ . 1 . 2]" 1
1150 1 64 TYR H 1 64 TYR QB . . 3.670 2.464 2.278 2.717 . 0 0 "[ . 1 . 2]" 1
1151 1 64 TYR H 1 64 TYR QD . . 4.340 3.436 2.731 3.878 . 0 0 "[ . 1 . 2]" 1
1152 1 64 TYR H 1 65 LYS HB2 . . 5.500 5.089 3.849 5.576 0.076 13 0 "[ . 1 . 2]" 1
1153 1 64 TYR H 1 65 LYS QG . . 5.500 3.523 2.391 5.186 . 0 0 "[ . 1 . 2]" 1
1154 1 64 TYR H 1 66 GLU H . . 4.680 3.869 3.190 4.336 . 0 0 "[ . 1 . 2]" 1
1155 1 64 TYR HA 1 64 TYR QD . . 2.800 2.376 2.025 2.873 0.073 7 0 "[ . 1 . 2]" 1
1156 1 64 TYR HA 1 65 LYS QG . . 4.730 4.533 4.155 4.677 . 0 0 "[ . 1 . 2]" 1
1157 1 64 TYR QB 1 65 LYS H . . 4.520 3.543 3.114 3.928 . 0 0 "[ . 1 . 2]" 1
1158 1 64 TYR QB 1 65 LYS QG . . 5.280 3.414 2.680 4.223 . 0 0 "[ . 1 . 2]" 1
1159 1 64 TYR QD 1 65 LYS H . . 5.500 4.857 4.680 5.041 . 0 0 "[ . 1 . 2]" 1
1160 1 65 LYS H 1 65 LYS HB2 . . 3.960 3.462 2.542 3.995 0.035 12 0 "[ . 1 . 2]" 1
1161 1 65 LYS H 1 65 LYS QG . . 4.530 2.713 1.868 3.925 . 0 0 "[ . 1 . 2]" 1
1162 1 65 LYS H 1 66 GLU H . . 2.970 1.943 1.656 2.276 . 0 0 "[ . 1 . 2]" 1
1163 1 65 LYS H 1 66 GLU HA . . 5.500 4.595 4.260 4.831 . 0 0 "[ . 1 . 2]" 1
1164 1 65 LYS H 1 66 GLU QB . . 5.160 3.787 3.429 4.132 . 0 0 "[ . 1 . 2]" 1
1165 1 65 LYS H 1 76 ILE MD . . 5.500 4.612 4.270 5.028 . 0 0 "[ . 1 . 2]" 1
1166 1 65 LYS HA 1 76 ILE H . . 4.640 3.765 3.314 4.171 . 0 0 "[ . 1 . 2]" 1
1167 1 65 LYS HA 1 76 ILE HB . . 3.730 2.445 2.066 2.816 . 0 0 "[ . 1 . 2]" 1
1168 1 65 LYS HA 1 76 ILE MD . . 3.660 2.276 2.002 2.666 . 0 0 "[ . 1 . 2]" 1
1169 1 65 LYS HA 1 76 ILE MG . . 3.820 3.684 3.159 3.908 0.088 4 0 "[ . 1 . 2]" 1
1170 1 65 LYS HB2 1 66 GLU H . . 4.380 4.101 3.497 4.441 0.061 11 0 "[ . 1 . 2]" 1
1171 1 65 LYS HB3 1 66 GLU H . . 5.500 4.461 4.091 4.753 . 0 0 "[ . 1 . 2]" 1
1172 1 65 LYS HB3 1 76 ILE H . . 4.710 4.202 3.133 4.784 0.074 5 0 "[ . 1 . 2]" 1
1173 1 65 LYS HB3 1 76 ILE HB . . 4.080 3.118 2.505 3.526 . 0 0 "[ . 1 . 2]" 1
1174 1 65 LYS QG 1 66 GLU H . . 5.500 3.691 2.302 4.780 . 0 0 "[ . 1 . 2]" 1
1175 1 66 GLU H 1 66 GLU QB . . 3.440 2.598 2.328 2.967 . 0 0 "[ . 1 . 2]" 1
1176 1 66 GLU H 1 66 GLU QG . . 4.370 3.913 3.590 4.115 . 0 0 "[ . 1 . 2]" 1
1177 1 66 GLU H 1 67 PHE H . . 4.560 4.269 4.133 4.386 . 0 0 "[ . 1 . 2]" 1
1178 1 66 GLU H 1 67 PHE HB2 . . 4.900 4.747 4.380 4.968 0.068 2 0 "[ . 1 . 2]" 1
1179 1 66 GLU HA 1 66 GLU QG . . 3.860 2.421 2.155 2.815 . 0 0 "[ . 1 . 2]" 1
1180 1 66 GLU HA 1 67 PHE H . . 2.930 2.309 2.180 2.403 . 0 0 "[ . 1 . 2]" 1
1181 1 66 GLU HA 1 67 PHE HB3 . . 5.500 4.768 4.408 5.189 . 0 0 "[ . 1 . 2]" 1
1182 1 66 GLU HA 1 74 VAL H . . 5.340 4.560 4.239 4.853 . 0 0 "[ . 1 . 2]" 1
1183 1 66 GLU HA 1 74 VAL HA . . 5.270 5.181 4.906 5.353 0.083 7 0 "[ . 1 . 2]" 1
1184 1 66 GLU HA 1 74 VAL MG1 . . 5.120 3.852 2.996 4.394 . 0 0 "[ . 1 . 2]" 1
1185 1 66 GLU QB 1 67 PHE H . . 3.740 3.131 2.295 3.771 0.031 17 0 "[ . 1 . 2]" 1
1186 1 66 GLU QB 1 67 PHE HA . . 5.500 3.877 2.979 4.674 . 0 0 "[ . 1 . 2]" 1
1187 1 66 GLU QB 1 68 ASP H . . 5.500 4.853 3.512 5.573 0.073 17 0 "[ . 1 . 2]" 1
1188 1 66 GLU QB 1 73 LEU QD . . 4.630 4.278 3.521 4.628 . 0 0 "[ . 1 . 2]" 1
1189 1 66 GLU QB 1 75 LYS QG . . 4.130 3.554 2.242 4.206 0.076 13 0 "[ . 1 . 2]" 1
1190 1 66 GLU QG 1 67 PHE H . . 4.090 2.760 2.132 3.481 . 0 0 "[ . 1 . 2]" 1
1191 1 66 GLU QG 1 67 PHE HA . . 5.500 4.142 2.854 5.202 . 0 0 "[ . 1 . 2]" 1
1192 1 66 GLU QG 1 73 LEU QD . . 4.300 3.150 2.478 4.169 . 0 0 "[ . 1 . 2]" 1
1193 1 66 GLU QG 1 75 LYS HA . . 3.910 2.948 2.117 3.845 . 0 0 "[ . 1 . 2]" 1
1194 1 66 GLU QG 1 75 LYS QE . . 5.420 4.144 3.402 4.770 . 0 0 "[ . 1 . 2]" 1
1195 1 66 GLU QG 1 75 LYS QG . . 4.110 2.278 2.019 2.691 . 0 0 "[ . 1 . 2]" 1
1196 1 67 PHE H 1 67 PHE QD . . 5.280 4.449 4.254 4.573 . 0 0 "[ . 1 . 2]" 1
1197 1 67 PHE H 1 68 ASP H . . 5.000 3.948 3.619 4.227 . 0 0 "[ . 1 . 2]" 1
1198 1 67 PHE H 1 73 LEU QD . . 4.840 3.366 3.049 3.830 . 0 0 "[ . 1 . 2]" 1
1199 1 67 PHE H 1 74 VAL H . . 3.840 2.829 2.605 3.081 . 0 0 "[ . 1 . 2]" 1
1200 1 67 PHE H 1 74 VAL HA . . 4.930 4.642 4.491 4.776 . 0 0 "[ . 1 . 2]" 1
1201 1 67 PHE H 1 74 VAL HB . . 3.740 2.701 2.440 2.885 . 0 0 "[ . 1 . 2]" 1
1202 1 67 PHE H 1 74 VAL MG2 . . 3.950 3.881 3.662 4.028 0.078 13 0 "[ . 1 . 2]" 1
1203 1 67 PHE H 1 75 LYS HA . . 4.310 4.110 3.845 4.366 0.056 8 0 "[ . 1 . 2]" 1
1204 1 67 PHE H 1 75 LYS QG . . 5.480 4.051 3.809 4.300 . 0 0 "[ . 1 . 2]" 1
1205 1 67 PHE HA 1 67 PHE QD . . 3.510 2.735 2.151 3.168 . 0 0 "[ . 1 . 2]" 1
1206 1 67 PHE HA 1 67 PHE QE . . 5.120 4.576 4.347 4.884 . 0 0 "[ . 1 . 2]" 1
1207 1 67 PHE HA 1 68 ASP H . . 2.910 2.243 2.107 2.375 . 0 0 "[ . 1 . 2]" 1
1208 1 67 PHE HA 1 74 VAL HB . . 4.580 4.576 4.384 4.664 0.084 3 0 "[ . 1 . 2]" 1
1209 1 67 PHE HB2 1 68 ASP H . . 4.600 4.356 4.045 4.605 0.005 6 0 "[ . 1 . 2]" 1
1210 1 67 PHE HB2 1 74 VAL H . . 5.500 5.035 4.583 5.377 . 0 0 "[ . 1 . 2]" 1
1211 1 67 PHE HB2 1 74 VAL HB . . 4.050 3.602 3.156 4.058 0.008 3 0 "[ . 1 . 2]" 1
1212 1 67 PHE HB3 1 68 ASP H . . 5.340 4.256 3.682 4.481 . 0 0 "[ . 1 . 2]" 1
1213 1 67 PHE HB3 1 74 VAL H . . 5.010 3.631 3.114 4.065 . 0 0 "[ . 1 . 2]" 1
1214 1 67 PHE HB3 1 74 VAL HB . . 3.840 2.534 2.201 3.125 . 0 0 "[ . 1 . 2]" 1
1215 1 67 PHE HB3 1 74 VAL MG2 . . 4.120 2.577 2.170 3.228 . 0 0 "[ . 1 . 2]" 1
1216 1 67 PHE QD 1 68 ASP H . . 3.850 3.501 2.902 3.929 0.079 15 0 "[ . 1 . 2]" 1
1217 1 67 PHE QD 1 69 GLY H . . 5.240 3.718 2.448 4.402 . 0 0 "[ . 1 . 2]" 1
1218 1 67 PHE QD 1 69 GLY HA2 . . 5.100 4.448 3.495 5.164 0.064 5 0 "[ . 1 . 2]" 1
1219 1 67 PHE QD 1 69 GLY HA3 . . 4.690 3.772 2.835 4.417 . 0 0 "[ . 1 . 2]" 1
1220 1 67 PHE QD 1 74 VAL HB . . 4.830 4.258 3.539 4.920 0.090 3 0 "[ . 1 . 2]" 1
1221 1 67 PHE QE 1 68 ASP H . . 5.120 4.512 3.750 5.188 0.068 6 0 "[ . 1 . 2]" 1
1222 1 67 PHE QE 1 69 GLY H . . 5.350 3.974 3.143 5.150 . 0 0 "[ . 1 . 2]" 1
1223 1 67 PHE QE 1 69 GLY HA2 . . 4.100 3.224 2.453 3.932 . 0 0 "[ . 1 . 2]" 1
1224 1 67 PHE QE 1 69 GLY HA3 . . 3.830 2.621 2.146 3.881 0.051 9 0 "[ . 1 . 2]" 1
1225 1 68 ASP H 1 68 ASP HB2 . . 3.390 3.544 2.979 3.682 0.292 16 0 "[ . 1 . 2]" 1
1226 1 68 ASP H 1 68 ASP HB3 . . 3.590 2.972 2.281 3.469 . 0 0 "[ . 1 . 2]" 1
1227 1 68 ASP H 1 73 LEU QD . . 5.100 3.838 3.454 4.306 . 0 0 "[ . 1 . 2]" 1
1228 1 68 ASP H 1 74 VAL H . . 5.030 4.852 4.648 5.037 0.007 2 0 "[ . 1 . 2]" 1
1229 1 68 ASP HA 1 69 GLY H . . 2.970 2.126 2.043 2.390 . 0 0 "[ . 1 . 2]" 1
1230 1 68 ASP HA 1 69 GLY HA2 . . 4.470 4.476 4.407 4.544 0.074 20 0 "[ . 1 . 2]" 1
1231 1 68 ASP HA 1 69 GLY HA3 . . 4.580 4.373 4.214 4.577 . 0 0 "[ . 1 . 2]" 1
1232 1 68 ASP HA 1 70 GLY H . . 4.180 3.732 3.288 4.249 0.069 18 0 "[ . 1 . 2]" 1
1233 1 68 ASP HA 1 73 LEU HA . . 3.590 2.493 2.248 2.802 . 0 0 "[ . 1 . 2]" 1
1234 1 68 ASP HA 1 73 LEU HB2 . . 5.270 4.422 3.873 4.883 . 0 0 "[ . 1 . 2]" 1
1235 1 68 ASP HA 1 73 LEU QD . . 3.740 2.256 1.908 2.730 . 0 0 "[ . 1 . 2]" 1
1236 1 68 ASP HA 1 74 VAL H . . 4.310 3.565 3.247 3.911 . 0 0 "[ . 1 . 2]" 1
1237 1 68 ASP HB2 1 69 GLY H . . 5.100 3.771 3.123 4.354 . 0 0 "[ . 1 . 2]" 1
1238 1 68 ASP HB2 1 70 GLY H . . 5.500 3.609 2.675 4.729 . 0 0 "[ . 1 . 2]" 1
1239 1 68 ASP HB2 1 73 LEU HB2 . . 5.500 5.394 4.106 6.189 0.689 1 2 "[+- . 1 . 2]" 1
1240 1 68 ASP HB2 1 73 LEU QD . . 4.440 2.642 2.114 3.413 . 0 0 "[ . 1 . 2]" 1
1241 1 68 ASP HB3 1 69 GLY H . . 4.860 4.279 3.862 4.579 . 0 0 "[ . 1 . 2]" 1
1242 1 68 ASP HB3 1 70 GLY H . . 5.500 4.699 4.246 5.350 . 0 0 "[ . 1 . 2]" 1
1243 1 68 ASP HB3 1 73 LEU QD . . 4.150 2.527 1.971 3.804 . 0 0 "[ . 1 . 2]" 1
1244 1 69 GLY H 1 70 GLY H . . 3.420 2.721 2.054 3.458 0.038 20 0 "[ . 1 . 2]" 1
1245 1 69 GLY H 1 70 GLY HA2 . . 5.350 4.772 4.135 5.420 0.070 20 0 "[ . 1 . 2]" 1
1246 1 69 GLY H 1 70 GLY HA3 . . 5.280 5.054 4.527 5.369 0.089 20 0 "[ . 1 . 2]" 1
1247 1 69 GLY H 1 71 TRP H . . 5.200 4.930 4.104 5.265 0.065 12 0 "[ . 1 . 2]" 1
1248 1 69 GLY H 1 72 TYR H . . 4.240 3.310 2.999 3.962 . 0 0 "[ . 1 . 2]" 1
1249 1 69 GLY H 1 73 LEU H . . 5.500 4.917 4.454 5.477 . 0 0 "[ . 1 . 2]" 1
1250 1 69 GLY H 1 73 LEU HA . . 4.270 3.272 2.835 3.579 . 0 0 "[ . 1 . 2]" 1
1251 1 69 GLY H 1 73 LEU QD . . 4.620 3.512 2.612 4.253 . 0 0 "[ . 1 . 2]" 1
1252 1 69 GLY H 1 74 VAL H . . 4.800 4.664 4.032 4.878 0.078 8 0 "[ . 1 . 2]" 1
1253 1 69 GLY HA2 1 71 TRP H . . 5.290 4.940 4.354 5.358 0.068 7 0 "[ . 1 . 2]" 1
1254 1 69 GLY HA3 1 72 TYR H . . 5.460 3.897 3.535 4.463 . 0 0 "[ . 1 . 2]" 1
1255 1 70 GLY H 1 71 TRP H . . 4.450 3.959 3.389 4.249 . 0 0 "[ . 1 . 2]" 1
1256 1 70 GLY H 1 72 TYR H . . 4.330 3.639 3.228 4.081 . 0 0 "[ . 1 . 2]" 1
1257 1 70 GLY HA2 1 71 TRP HA . . 5.450 4.614 4.415 4.709 . 0 0 "[ . 1 . 2]" 1
1258 1 70 GLY HA2 1 72 TYR H . . 5.500 4.199 4.008 4.548 . 0 0 "[ . 1 . 2]" 1
1259 1 70 GLY HA3 1 71 TRP HD1 . . 4.870 3.866 3.198 4.221 . 0 0 "[ . 1 . 2]" 1
1260 1 70 GLY HA3 1 72 TYR H . . 4.660 4.122 3.908 4.519 . 0 0 "[ . 1 . 2]" 1
1261 1 71 TRP H 1 71 TRP HB2 . . 4.130 3.666 3.599 3.787 . 0 0 "[ . 1 . 2]" 1
1262 1 71 TRP H 1 71 TRP HB3 . . 3.870 2.781 2.528 3.189 . 0 0 "[ . 1 . 2]" 1
1263 1 71 TRP H 1 71 TRP HE1 . . 5.170 4.434 4.242 4.761 . 0 0 "[ . 1 . 2]" 1
1264 1 71 TRP H 1 72 TYR H . . 3.260 2.724 2.220 2.964 . 0 0 "[ . 1 . 2]" 1
1265 1 71 TRP H 1 72 TYR HA . . 5.500 5.199 4.600 5.499 . 0 0 "[ . 1 . 2]" 1
1266 1 71 TRP H 1 72 TYR HB3 . . 5.500 4.373 3.573 5.038 . 0 0 "[ . 1 . 2]" 1
1267 1 71 TRP HA 1 71 TRP HD1 . . 4.320 4.364 4.268 4.397 0.077 13 0 "[ . 1 . 2]" 1
1268 1 71 TRP HA 1 86 ASN H . . 3.920 3.686 3.206 3.991 0.071 6 0 "[ . 1 . 2]" 1
1269 1 71 TRP HA 1 86 ASN QD . . 4.190 3.077 1.835 3.913 . 0 0 "[ . 1 . 2]" 1
1270 1 71 TRP HB2 1 71 TRP HE3 . . 3.460 2.624 2.511 2.700 . 0 0 "[ . 1 . 2]" 1
1271 1 71 TRP HB2 1 72 TYR H . . 5.480 4.485 4.350 4.604 . 0 0 "[ . 1 . 2]" 1
1272 1 71 TRP HB2 1 85 ILE MG . . 5.500 4.071 3.698 4.473 . 0 0 "[ . 1 . 2]" 1
1273 1 71 TRP HB2 1 86 ASN H . . 5.310 3.427 3.105 3.796 . 0 0 "[ . 1 . 2]" 1
1274 1 71 TRP HB2 1 86 ASN HB3 . . 5.450 4.131 3.485 5.759 0.309 15 0 "[ . 1 . 2]" 1
1275 1 71 TRP HB2 1 86 ASN QD . . 5.500 4.325 3.292 5.100 . 0 0 "[ . 1 . 2]" 1
1276 1 71 TRP HB3 1 71 TRP HD1 . . 3.380 2.697 2.605 2.855 . 0 0 "[ . 1 . 2]" 1
1277 1 71 TRP HB3 1 71 TRP HE1 . . 4.970 4.776 4.689 4.834 . 0 0 "[ . 1 . 2]" 1
1278 1 71 TRP HB3 1 72 TYR H . . 4.930 4.580 4.399 4.708 . 0 0 "[ . 1 . 2]" 1
1279 1 71 TRP HE1 1 94 ARG QB . . 5.460 4.994 4.279 5.537 0.077 6 0 "[ . 1 . 2]" 1
1280 1 71 TRP HE1 1 96 PHE QD . . 5.500 5.144 4.518 5.599 0.099 6 0 "[ . 1 . 2]" 1
1281 1 71 TRP HE3 1 72 TYR HA . . 5.140 4.448 4.012 4.896 . 0 0 "[ . 1 . 2]" 1
1282 1 71 TRP HE3 1 72 TYR HB2 . . 4.980 3.525 3.037 4.216 . 0 0 "[ . 1 . 2]" 1
1283 1 71 TRP HE3 1 85 ILE MG . . 2.930 2.367 2.132 2.801 . 0 0 "[ . 1 . 2]" 1
1284 1 71 TRP HE3 1 86 ASN H . . 4.160 3.308 2.843 3.808 . 0 0 "[ . 1 . 2]" 1
1285 1 71 TRP HH2 1 94 ARG QG . . 3.840 2.568 2.147 3.158 . 0 0 "[ . 1 . 2]" 1
1286 1 71 TRP HH2 1 95 SER H . . 5.120 4.047 3.222 4.557 . 0 0 "[ . 1 . 2]" 1
1287 1 71 TRP HH2 1 95 SER HA . . 3.600 3.552 3.314 3.701 0.101 6 0 "[ . 1 . 2]" 1
1288 1 71 TRP HH2 1 96 PHE H . . 4.520 4.480 3.926 4.610 0.090 6 0 "[ . 1 . 2]" 1
1289 1 71 TRP HH2 1 96 PHE QD . . 3.140 2.421 2.108 2.652 . 0 0 "[ . 1 . 2]" 1
1290 1 71 TRP HZ2 1 94 ARG QB . . 3.500 2.948 2.322 3.596 0.096 2 0 "[ . 1 . 2]" 1
1291 1 71 TRP HZ2 1 94 ARG QG . . 4.180 3.049 2.427 4.024 . 0 0 "[ . 1 . 2]" 1
1292 1 71 TRP HZ2 1 95 SER H . . 4.330 4.253 3.767 4.420 0.090 6 0 "[ . 1 . 2]" 1
1293 1 71 TRP HZ2 1 95 SER HA . . 5.260 5.187 4.884 5.342 0.082 13 0 "[ . 1 . 2]" 1
1294 1 71 TRP HZ2 1 96 PHE QD . . 3.600 3.161 2.644 3.675 0.075 6 0 "[ . 1 . 2]" 1
1295 1 71 TRP HZ3 1 72 TYR QD . . 4.530 3.762 2.801 4.615 0.085 2 0 "[ . 1 . 2]" 1
1296 1 71 TRP HZ3 1 85 ILE HB . . 5.500 5.312 4.782 5.570 0.070 9 0 "[ . 1 . 2]" 1
1297 1 71 TRP HZ3 1 85 ILE MD . . 3.970 3.874 3.305 4.056 0.086 6 0 "[ . 1 . 2]" 1
1298 1 71 TRP HZ3 1 85 ILE MG . . 3.000 2.538 2.178 2.793 . 0 0 "[ . 1 . 2]" 1
1299 1 71 TRP HZ3 1 94 ARG QG . . 4.480 3.654 3.058 4.332 . 0 0 "[ . 1 . 2]" 1
1300 1 71 TRP HZ3 1 96 PHE QD . . 3.760 3.552 2.999 3.853 0.093 9 0 "[ . 1 . 2]" 1
1301 1 72 TYR H 1 73 LEU H . . 4.770 4.179 3.891 4.370 . 0 0 "[ . 1 . 2]" 1
1302 1 72 TYR H 1 73 LEU HB2 . . 4.630 4.531 4.095 4.690 0.060 3 0 "[ . 1 . 2]" 1
1303 1 72 TYR H 1 73 LEU QD . . 5.500 4.412 3.151 5.175 . 0 0 "[ . 1 . 2]" 1
1304 1 72 TYR H 1 85 ILE HA . . 5.500 4.954 4.686 5.301 . 0 0 "[ . 1 . 2]" 1
1305 1 72 TYR HA 1 73 LEU H . . 3.050 2.273 2.138 2.349 . 0 0 "[ . 1 . 2]" 1
1306 1 72 TYR HA 1 73 LEU HB2 . . 5.500 4.100 3.592 4.635 . 0 0 "[ . 1 . 2]" 1
1307 1 72 TYR HA 1 85 ILE H . . 5.500 5.048 4.861 5.480 . 0 0 "[ . 1 . 2]" 1
1308 1 72 TYR HA 1 85 ILE HA . . 3.750 2.465 2.182 2.797 . 0 0 "[ . 1 . 2]" 1
1309 1 72 TYR HA 1 85 ILE QG . . 4.880 3.448 2.762 3.950 . 0 0 "[ . 1 . 2]" 1
1310 1 72 TYR HA 1 85 ILE MG . . 4.750 3.387 2.744 3.793 . 0 0 "[ . 1 . 2]" 1
1311 1 72 TYR HA 1 86 ASN H . . 3.820 3.592 3.370 3.869 0.049 19 0 "[ . 1 . 2]" 1
1312 1 72 TYR HB2 1 73 LEU H . . 4.390 4.353 4.070 4.469 0.079 3 0 "[ . 1 . 2]" 1
1313 1 72 TYR HB2 1 85 ILE HA . . 4.770 4.195 3.881 4.661 . 0 0 "[ . 1 . 2]" 1
1314 1 72 TYR HB2 1 86 ASN H . . 5.500 4.692 4.393 4.993 . 0 0 "[ . 1 . 2]" 1
1315 1 72 TYR QD 1 85 ILE MD . . 3.180 3.005 2.276 3.298 0.118 2 0 "[ . 1 . 2]" 1
1316 1 72 TYR QD 1 85 ILE QG . . 4.740 2.432 2.137 3.000 . 0 0 "[ . 1 . 2]" 1
1317 1 72 TYR QD 1 85 ILE MG . . 5.500 2.303 2.127 2.612 . 0 0 "[ . 1 . 2]" 1
1318 1 72 TYR QD 1 96 PHE QD . . 4.200 3.538 3.094 4.294 0.094 11 0 "[ . 1 . 2]" 1
1319 1 72 TYR QE 1 83 VAL QG . . 3.370 2.619 1.994 3.168 . 0 0 "[ . 1 . 2]" 1
1320 1 72 TYR QE 1 85 ILE MD . . 2.920 2.298 2.053 2.927 0.007 8 0 "[ . 1 . 2]" 1
1321 1 72 TYR QE 1 85 ILE QG . . 4.480 2.652 2.136 3.348 . 0 0 "[ . 1 . 2]" 1
1322 1 72 TYR QE 1 85 ILE MG . . 3.990 3.645 3.098 4.064 0.074 13 0 "[ . 1 . 2]" 1
1323 1 72 TYR QE 1 98 VAL QG . . 3.200 2.323 1.996 3.204 0.004 8 0 "[ . 1 . 2]" 1
1324 1 72 TYR QE 1 111 PHE HB2 . . 5.500 3.716 2.721 5.366 . 0 0 "[ . 1 . 2]" 1
1325 1 73 LEU H 1 73 LEU HB2 . . 3.690 2.831 2.493 3.234 . 0 0 "[ . 1 . 2]" 1
1326 1 73 LEU H 1 73 LEU HB3 . . 3.760 3.078 2.489 3.411 . 0 0 "[ . 1 . 2]" 1
1327 1 73 LEU H 1 83 VAL HA . . 4.750 4.402 4.079 4.728 . 0 0 "[ . 1 . 2]" 1
1328 1 73 LEU H 1 83 VAL QG . . 5.380 3.663 2.201 4.781 . 0 0 "[ . 1 . 2]" 1
1329 1 73 LEU H 1 84 ILE H . . 3.830 2.994 2.684 3.617 . 0 0 "[ . 1 . 2]" 1
1330 1 73 LEU H 1 85 ILE HA . . 4.230 3.712 3.310 4.177 . 0 0 "[ . 1 . 2]" 1
1331 1 73 LEU HA 1 73 LEU QD . . 3.980 2.049 1.938 2.258 . 0 0 "[ . 1 . 2]" 1
1332 1 73 LEU HA 1 74 VAL H . . 3.120 2.211 2.137 2.308 . 0 0 "[ . 1 . 2]" 1
1333 1 73 LEU HB2 1 74 VAL H . . 4.820 4.542 4.230 4.656 . 0 0 "[ . 1 . 2]" 1
1334 1 73 LEU HB2 1 84 ILE H . . 4.360 4.172 3.623 4.446 0.086 12 0 "[ . 1 . 2]" 1
1335 1 73 LEU HB3 1 84 ILE H . . 4.640 3.219 2.780 3.868 . 0 0 "[ . 1 . 2]" 1
1336 1 73 LEU HB3 1 84 ILE HB . . 3.420 3.009 2.367 3.496 0.076 13 0 "[ . 1 . 2]" 1
1337 1 73 LEU QD 1 74 VAL H . . 4.040 2.398 2.133 2.830 . 0 0 "[ . 1 . 2]" 1
1338 1 73 LEU QD 1 75 LYS QE . . 3.580 2.212 1.907 3.646 0.066 13 0 "[ . 1 . 2]" 1
1339 1 73 LEU QD 1 75 LYS QG . . 4.340 2.889 2.386 3.458 . 0 0 "[ . 1 . 2]" 1
1340 1 74 VAL H 1 74 VAL HB . . 3.460 2.766 2.599 2.919 . 0 0 "[ . 1 . 2]" 1
1341 1 74 VAL H 1 74 VAL MG2 . . 3.340 2.501 2.254 2.754 . 0 0 "[ . 1 . 2]" 1
1342 1 74 VAL H 1 75 LYS H . . 5.170 4.448 4.319 4.539 . 0 0 "[ . 1 . 2]" 1
1343 1 74 VAL H 1 75 LYS QG . . 4.260 4.289 4.028 4.359 0.099 18 0 "[ . 1 . 2]" 1
1344 1 74 VAL HA 1 74 VAL MG1 . . 3.350 2.254 2.183 2.314 . 0 0 "[ . 1 . 2]" 1
1345 1 74 VAL HA 1 74 VAL MG2 . . 3.200 2.536 2.413 2.631 . 0 0 "[ . 1 . 2]" 1
1346 1 74 VAL HA 1 75 LYS H . . 3.150 2.246 2.160 2.328 . 0 0 "[ . 1 . 2]" 1
1347 1 74 VAL HA 1 75 LYS HB2 . . 5.220 4.371 4.081 4.722 . 0 0 "[ . 1 . 2]" 1
1348 1 74 VAL HB 1 75 LYS H . . 4.790 4.014 3.831 4.175 . 0 0 "[ . 1 . 2]" 1
1349 1 74 VAL MG1 1 75 LYS H . . 3.560 2.547 2.183 2.911 . 0 0 "[ . 1 . 2]" 1
1350 1 74 VAL MG1 1 75 LYS HA . . 4.580 3.740 3.342 4.173 . 0 0 "[ . 1 . 2]" 1
1351 1 75 LYS H 1 75 LYS HB2 . . 3.750 2.693 2.529 2.839 . 0 0 "[ . 1 . 2]" 1
1352 1 75 LYS H 1 75 LYS HB3 . . 3.690 3.719 3.462 3.769 0.079 18 0 "[ . 1 . 2]" 1
1353 1 75 LYS H 1 75 LYS QG . . 4.130 3.600 3.390 3.782 . 0 0 "[ . 1 . 2]" 1
1354 1 75 LYS H 1 76 ILE H . . 5.110 4.167 3.897 4.357 . 0 0 "[ . 1 . 2]" 1
1355 1 75 LYS H 1 81 LEU QD . . 4.180 3.033 2.533 3.681 . 0 0 "[ . 1 . 2]" 1
1356 1 75 LYS H 1 82 LYS H . . 4.080 3.059 2.808 3.561 . 0 0 "[ . 1 . 2]" 1
1357 1 75 LYS H 1 83 VAL HA . . 4.610 3.809 3.178 4.685 0.075 13 0 "[ . 1 . 2]" 1
1358 1 75 LYS HA 1 75 LYS QG . . 3.870 2.297 2.176 2.476 . 0 0 "[ . 1 . 2]" 1
1359 1 75 LYS HA 1 76 ILE H . . 2.880 2.180 2.071 2.304 . 0 0 "[ . 1 . 2]" 1
1360 1 75 LYS HB2 1 75 LYS QE . . 4.630 2.211 1.900 2.592 . 0 0 "[ . 1 . 2]" 1
1361 1 75 LYS HB2 1 75 LYS QG . . 2.720 2.497 2.394 2.580 . 0 0 "[ . 1 . 2]" 1
1362 1 75 LYS HB2 1 76 ILE H . . 4.460 4.318 4.020 4.526 0.066 8 0 "[ . 1 . 2]" 1
1363 1 75 LYS HB2 1 82 LYS H . . 5.500 3.970 3.518 4.445 . 0 0 "[ . 1 . 2]" 1
1364 1 75 LYS HB3 1 75 LYS QE . . 4.150 3.399 3.149 3.780 . 0 0 "[ . 1 . 2]" 1
1365 1 75 LYS HB3 1 76 ILE H . . 3.900 3.291 2.872 3.747 . 0 0 "[ . 1 . 2]" 1
1366 1 75 LYS QE 1 75 LYS QG . . 3.260 2.294 2.162 2.508 . 0 0 "[ . 1 . 2]" 1
1367 1 75 LYS QE 1 84 ILE H . . 4.670 4.742 4.659 4.769 0.099 13 0 "[ . 1 . 2]" 1
1368 1 75 LYS QE 1 84 ILE MD . . 3.930 3.043 2.270 4.036 0.106 14 0 "[ . 1 . 2]" 1
1369 1 75 LYS QG 1 76 ILE H . . 3.750 3.772 3.422 3.847 0.097 5 0 "[ . 1 . 2]" 1
1370 1 75 LYS QG 1 77 GLU QG . . 4.630 4.170 3.758 4.552 . 0 0 "[ . 1 . 2]" 1
1371 1 76 ILE H 1 76 ILE HB . . 3.220 2.526 2.373 2.688 . 0 0 "[ . 1 . 2]" 1
1372 1 76 ILE H 1 76 ILE MD . . 3.940 3.985 3.846 4.045 0.105 14 0 "[ . 1 . 2]" 1
1373 1 76 ILE H 1 76 ILE HG12 . . 4.220 4.085 3.803 4.285 0.065 14 0 "[ . 1 . 2]" 1
1374 1 76 ILE H 1 76 ILE HG13 . . 4.030 2.955 2.659 3.187 . 0 0 "[ . 1 . 2]" 1
1375 1 76 ILE H 1 76 ILE MG . . 4.700 3.806 3.731 3.868 . 0 0 "[ . 1 . 2]" 1
1376 1 76 ILE H 1 81 LEU QD . . 5.430 4.182 3.566 5.124 . 0 0 "[ . 1 . 2]" 1
1377 1 76 ILE HA 1 76 ILE MD . . 4.120 3.886 3.799 3.978 . 0 0 "[ . 1 . 2]" 1
1378 1 76 ILE HA 1 76 ILE HG12 . . 3.620 2.563 2.402 2.700 . 0 0 "[ . 1 . 2]" 1
1379 1 76 ILE HA 1 76 ILE HG13 . . 4.190 2.960 2.820 3.159 . 0 0 "[ . 1 . 2]" 1
1380 1 76 ILE HA 1 76 ILE MG . . 3.340 2.492 2.383 2.674 . 0 0 "[ . 1 . 2]" 1
1381 1 76 ILE HA 1 77 GLU H . . 2.880 2.208 2.091 2.324 . 0 0 "[ . 1 . 2]" 1
1382 1 76 ILE HA 1 77 GLU HA . . 4.890 4.458 4.398 4.521 . 0 0 "[ . 1 . 2]" 1
1383 1 76 ILE HA 1 77 GLU HB2 . . 5.000 4.548 4.204 4.769 . 0 0 "[ . 1 . 2]" 1
1384 1 76 ILE HA 1 77 GLU QG . . 5.420 4.265 3.572 4.932 . 0 0 "[ . 1 . 2]" 1
1385 1 76 ILE HA 1 80 GLU H . . 5.410 4.789 4.310 5.458 0.048 2 0 "[ . 1 . 2]" 1
1386 1 76 ILE HA 1 81 LEU H . . 5.500 4.715 4.434 5.105 . 0 0 "[ . 1 . 2]" 1
1387 1 76 ILE HA 1 81 LEU QD . . 4.600 3.116 2.290 3.994 . 0 0 "[ . 1 . 2]" 1
1388 1 76 ILE HA 1 82 LYS H . . 4.100 3.686 3.199 4.147 0.047 13 0 "[ . 1 . 2]" 1
1389 1 76 ILE HB 1 77 GLU H . . 4.620 4.422 4.140 4.585 . 0 0 "[ . 1 . 2]" 1
1390 1 76 ILE MD 1 76 ILE MG . . 3.230 2.070 2.042 2.107 . 0 0 "[ . 1 . 2]" 1
1391 1 76 ILE MD 1 81 LEU QD . . 4.190 2.973 2.400 3.694 . 0 0 "[ . 1 . 2]" 1
1392 1 76 ILE HG12 1 77 GLU H . . 5.100 4.560 4.277 4.830 . 0 0 "[ . 1 . 2]" 1
1393 1 76 ILE HG12 1 81 LEU HA . . 3.920 3.117 2.325 3.895 . 0 0 "[ . 1 . 2]" 1
1394 1 76 ILE HG12 1 82 LYS H . . 5.220 4.680 4.017 5.035 . 0 0 "[ . 1 . 2]" 1
1395 1 76 ILE HG13 1 82 LYS H . . 5.500 4.790 4.220 5.208 . 0 0 "[ . 1 . 2]" 1
1396 1 76 ILE MG 1 77 GLU H . . 3.250 3.051 2.487 3.359 0.109 7 0 "[ . 1 . 2]" 1
1397 1 76 ILE MG 1 77 GLU HA . . 4.490 3.646 3.387 4.042 . 0 0 "[ . 1 . 2]" 1
1398 1 76 ILE MG 1 78 ASP H . . 4.680 3.845 2.700 4.780 0.100 3 0 "[ . 1 . 2]" 1
1399 1 76 ILE MG 1 78 ASP HA . . 5.340 4.464 3.359 5.302 . 0 0 "[ . 1 . 2]" 1
1400 1 76 ILE MG 1 80 GLU H . . 5.110 4.162 3.562 4.865 . 0 0 "[ . 1 . 2]" 1
1401 1 76 ILE MG 1 81 LEU HA . . 4.780 3.749 3.314 4.141 . 0 0 "[ . 1 . 2]" 1
1402 1 77 GLU H 1 77 GLU HB2 . . 3.860 2.559 2.390 2.696 . 0 0 "[ . 1 . 2]" 1
1403 1 77 GLU H 1 77 GLU HB3 . . 3.630 3.664 3.459 3.722 0.092 4 0 "[ . 1 . 2]" 1
1404 1 77 GLU H 1 77 GLU QG . . 4.350 3.202 2.691 3.608 . 0 0 "[ . 1 . 2]" 1
1405 1 77 GLU H 1 78 ASP H . . 4.590 4.060 3.647 4.299 . 0 0 "[ . 1 . 2]" 1
1406 1 77 GLU H 1 80 GLU H . . 4.170 3.314 2.974 4.162 . 0 0 "[ . 1 . 2]" 1
1407 1 77 GLU H 1 81 LEU QD . . 5.500 4.761 3.760 5.350 . 0 0 "[ . 1 . 2]" 1
1408 1 77 GLU H 1 82 LYS H . . 5.500 4.695 3.989 5.350 . 0 0 "[ . 1 . 2]" 1
1409 1 77 GLU H 1 82 LYS QE . . 4.690 3.689 2.848 4.746 0.056 4 0 "[ . 1 . 2]" 1
1410 1 77 GLU HA 1 77 GLU QG . . 3.650 2.462 2.229 2.724 . 0 0 "[ . 1 . 2]" 1
1411 1 77 GLU HA 1 78 ASP H . . 2.850 2.192 1.975 2.738 . 0 0 "[ . 1 . 2]" 1
1412 1 77 GLU HA 1 78 ASP HA . . 4.340 4.264 4.106 4.391 0.051 2 0 "[ . 1 . 2]" 1
1413 1 77 GLU HA 1 78 ASP QB . . 4.630 4.283 3.832 4.588 . 0 0 "[ . 1 . 2]" 1
1414 1 77 GLU HA 1 80 GLU H . . 5.500 4.909 4.658 5.371 . 0 0 "[ . 1 . 2]" 1
1415 1 77 GLU HB2 1 78 ASP H . . 4.380 4.185 2.994 4.457 0.077 16 0 "[ . 1 . 2]" 1
1416 1 77 GLU HB2 1 82 LYS QE . . 4.240 2.844 1.929 3.998 . 0 0 "[ . 1 . 2]" 1
1417 1 77 GLU HB3 1 78 ASP H . . 4.500 3.351 1.995 4.025 . 0 0 "[ . 1 . 2]" 1
1418 1 77 GLU HB3 1 78 ASP QB . . 4.930 3.860 3.389 4.756 . 0 0 "[ . 1 . 2]" 1
1419 1 77 GLU QG 1 78 ASP H . . 4.700 4.243 3.679 4.485 . 0 0 "[ . 1 . 2]" 1
1420 1 77 GLU QG 1 82 LYS QE . . 5.200 3.564 1.979 4.829 . 0 0 "[ . 1 . 2]" 1
1421 1 78 ASP H 1 78 ASP HA . . 2.880 2.283 2.153 2.671 . 0 0 "[ . 1 . 2]" 1
1422 1 78 ASP H 1 78 ASP QB . . 3.830 2.860 2.050 3.441 . 0 0 "[ . 1 . 2]" 1
1423 1 78 ASP H 1 79 ASN H . . 5.020 3.969 3.196 4.666 . 0 0 "[ . 1 . 2]" 1
1424 1 78 ASP H 1 80 GLU H . . 5.500 4.524 3.746 5.034 . 0 0 "[ . 1 . 2]" 1
1425 1 78 ASP HA 1 80 GLU H . . 5.500 4.866 4.213 5.090 . 0 0 "[ . 1 . 2]" 1
1426 1 78 ASP QB 1 79 ASN H . . 2.700 2.030 1.755 2.669 . 0 0 "[ . 1 . 2]" 1
1427 1 78 ASP QB 1 79 ASN QD . . 5.500 5.016 4.501 5.363 . 0 0 "[ . 1 . 2]" 1
1428 1 78 ASP QB 1 80 GLU H . . 4.060 3.531 2.655 4.121 0.061 7 0 "[ . 1 . 2]" 1
1429 1 79 ASN H 1 79 ASN HB3 . . 3.900 3.149 2.670 3.428 . 0 0 "[ . 1 . 2]" 1
1430 1 79 ASN H 1 79 ASN QD . . 5.500 4.275 3.228 4.794 . 0 0 "[ . 1 . 2]" 1
1431 1 79 ASN H 1 80 GLU HB2 . . 5.390 3.898 3.474 4.465 . 0 0 "[ . 1 . 2]" 1
1432 1 79 ASN H 1 80 GLU HG2 . . 5.500 4.913 4.266 5.318 . 0 0 "[ . 1 . 2]" 1
1433 1 79 ASN H 1 80 GLU HG3 . . 4.980 3.816 3.331 4.209 . 0 0 "[ . 1 . 2]" 1
1434 1 79 ASN HA 1 80 GLU H . . 3.430 3.202 2.654 3.373 . 0 0 "[ . 1 . 2]" 1
1435 1 79 ASN HB2 1 80 GLU H . . 5.500 4.526 4.414 4.615 . 0 0 "[ . 1 . 2]" 1
1436 1 79 ASN QD 1 80 GLU HG2 . . 5.500 4.231 3.055 5.190 . 0 0 "[ . 1 . 2]" 1
1437 1 80 GLU H 1 80 GLU HB2 . . 3.540 2.504 2.238 2.901 . 0 0 "[ . 1 . 2]" 1
1438 1 80 GLU H 1 80 GLU HB3 . . 3.790 3.655 3.411 3.823 0.033 7 0 "[ . 1 . 2]" 1
1439 1 80 GLU H 1 80 GLU HG2 . . 4.180 3.903 3.472 4.258 0.078 7 0 "[ . 1 . 2]" 1
1440 1 80 GLU H 1 80 GLU HG3 . . 4.180 3.267 2.902 3.807 . 0 0 "[ . 1 . 2]" 1
1441 1 80 GLU H 1 81 LEU H . . 5.010 4.099 3.384 4.467 . 0 0 "[ . 1 . 2]" 1
1442 1 80 GLU HA 1 80 GLU HG2 . . 3.830 2.329 2.213 2.448 . 0 0 "[ . 1 . 2]" 1
1443 1 80 GLU HA 1 80 GLU HG3 . . 3.960 3.207 2.943 3.640 . 0 0 "[ . 1 . 2]" 1
1444 1 80 GLU HA 1 81 LEU H . . 3.000 2.145 2.068 2.257 . 0 0 "[ . 1 . 2]" 1
1445 1 80 GLU HB2 1 82 LYS QE . . 4.320 2.710 2.097 4.368 0.048 19 0 "[ . 1 . 2]" 1
1446 1 80 GLU HB3 1 81 LEU H . . 4.160 3.679 2.871 4.135 . 0 0 "[ . 1 . 2]" 1
1447 1 80 GLU HB3 1 82 LYS QE . . 4.030 2.316 1.909 4.126 0.096 19 0 "[ . 1 . 2]" 1
1448 1 80 GLU HG2 1 81 LEU H . . 4.490 4.330 3.847 4.550 0.060 7 0 "[ . 1 . 2]" 1
1449 1 81 LEU H 1 81 LEU HB2 . . 4.160 2.858 2.365 3.302 . 0 0 "[ . 1 . 2]" 1
1450 1 81 LEU H 1 81 LEU HB3 . . 3.910 2.361 2.205 2.559 . 0 0 "[ . 1 . 2]" 1
1451 1 81 LEU H 1 81 LEU QD . . 4.250 3.725 3.526 3.818 . 0 0 "[ . 1 . 2]" 1
1452 1 81 LEU HA 1 81 LEU QD . . 3.230 2.331 2.104 2.680 . 0 0 "[ . 1 . 2]" 1
1453 1 81 LEU HA 1 82 LYS H . . 2.970 2.239 2.132 2.393 . 0 0 "[ . 1 . 2]" 1
1454 1 81 LEU HA 1 82 LYS QB . . 4.860 4.552 4.311 4.906 0.046 8 0 "[ . 1 . 2]" 1
1455 1 81 LEU HB2 1 100 VAL MG1 . . 4.850 4.287 3.582 4.851 0.001 10 0 "[ . 1 . 2]" 1
1456 1 81 LEU HB3 1 82 LYS H . . 5.320 4.325 4.186 4.494 . 0 0 "[ . 1 . 2]" 1
1457 1 81 LEU HB3 1 100 VAL MG1 . . 5.180 5.003 4.663 5.269 0.089 20 0 "[ . 1 . 2]" 1
1458 1 81 LEU QD 1 82 LYS H . . 3.330 2.417 1.940 3.329 . 0 0 "[ . 1 . 2]" 1
1459 1 81 LEU QD 1 98 VAL HB . . 5.500 4.049 3.355 4.596 . 0 0 "[ . 1 . 2]" 1
1460 1 81 LEU QD 1 98 VAL QG . . 3.980 2.712 2.083 3.443 . 0 0 "[ . 1 . 2]" 1
1461 1 81 LEU QD 1 100 VAL MG1 . . 3.640 2.817 2.260 3.236 . 0 0 "[ . 1 . 2]" 1
1462 1 81 LEU QD 1 100 VAL MG2 . . 5.190 3.456 2.608 4.077 . 0 0 "[ . 1 . 2]" 1
1463 1 81 LEU QD 1 109 PHE QD . . 3.570 3.223 2.605 3.633 0.063 13 0 "[ . 1 . 2]" 1
1464 1 81 LEU QD 1 109 PHE QE . . 3.740 2.890 2.199 3.756 0.016 13 0 "[ . 1 . 2]" 1
1465 1 81 LEU HG 1 82 LYS H . . 4.440 4.029 2.991 4.530 0.090 17 0 "[ . 1 . 2]" 1
1466 1 82 LYS H 1 82 LYS QB . . 3.350 2.902 2.571 3.295 . 0 0 "[ . 1 . 2]" 1
1467 1 82 LYS H 1 82 LYS QD . . 4.200 3.525 2.110 4.304 0.104 6 0 "[ . 1 . 2]" 1
1468 1 82 LYS H 1 82 LYS QE . . 5.500 4.062 3.356 4.576 . 0 0 "[ . 1 . 2]" 1
1469 1 82 LYS H 1 82 LYS HG2 . . 4.210 3.601 2.211 4.307 0.097 17 0 "[ . 1 . 2]" 1
1470 1 82 LYS H 1 82 LYS HG3 . . 4.050 3.260 2.847 4.132 0.082 2 0 "[ . 1 . 2]" 1
1471 1 82 LYS H 1 83 VAL H . . 4.600 4.381 4.017 4.499 . 0 0 "[ . 1 . 2]" 1
1472 1 82 LYS HA 1 82 LYS QD . . 4.760 4.087 3.566 4.549 . 0 0 "[ . 1 . 2]" 1
1473 1 82 LYS HA 1 82 LYS HG2 . . 3.960 3.392 2.647 3.948 . 0 0 "[ . 1 . 2]" 1
1474 1 82 LYS HA 1 82 LYS HG3 . . 3.880 3.236 2.500 4.015 0.135 16 0 "[ . 1 . 2]" 1
1475 1 82 LYS HA 1 83 VAL H . . 2.840 2.262 2.115 2.384 . 0 0 "[ . 1 . 2]" 1
1476 1 82 LYS QB 1 83 VAL H . . 3.330 2.796 2.465 3.412 0.082 4 0 "[ . 1 . 2]" 1
1477 1 82 LYS QE 1 82 LYS HG2 . . 3.810 2.635 2.085 3.558 . 0 0 "[ . 1 . 2]" 1
1478 1 83 VAL H 1 83 VAL QG . . 4.000 2.541 1.950 3.074 . 0 0 "[ . 1 . 2]" 1
1479 1 83 VAL H 1 84 ILE H . . 4.660 4.312 4.145 4.545 . 0 0 "[ . 1 . 2]" 1
1480 1 83 VAL HA 1 83 VAL QG . . 3.280 2.334 2.113 2.526 . 0 0 "[ . 1 . 2]" 1
1481 1 83 VAL HA 1 84 ILE H . . 2.950 2.250 2.147 2.340 . 0 0 "[ . 1 . 2]" 1
1482 1 83 VAL HA 1 84 ILE HB . . 4.920 4.569 4.195 4.977 0.057 14 0 "[ . 1 . 2]" 1
1483 1 83 VAL HA 1 84 ILE MD . . 4.580 3.848 2.533 4.681 0.101 6 0 "[ . 1 . 2]" 1
1484 1 83 VAL QG 1 84 ILE H . . 3.580 2.949 2.343 3.439 . 0 0 "[ . 1 . 2]" 1
1485 1 83 VAL QG 1 84 ILE HA . . 5.020 3.514 3.355 3.700 . 0 0 "[ . 1 . 2]" 1
1486 1 83 VAL QG 1 85 ILE H . . 4.220 4.086 3.725 4.268 0.048 14 0 "[ . 1 . 2]" 1
1487 1 83 VAL QG 1 85 ILE HB . . 4.820 4.573 4.286 4.835 0.015 2 0 "[ . 1 . 2]" 1
1488 1 83 VAL QG 1 85 ILE MD . . 3.550 2.596 2.245 3.335 . 0 0 "[ . 1 . 2]" 1
1489 1 83 VAL QG 1 85 ILE QG . . 4.470 2.344 2.085 2.652 . 0 0 "[ . 1 . 2]" 1
1490 1 83 VAL QG 1 85 ILE MG . . 4.910 4.348 3.989 4.731 . 0 0 "[ . 1 . 2]" 1
1491 1 83 VAL QG 1 98 VAL QG . . 3.190 2.636 2.220 2.952 . 0 0 "[ . 1 . 2]" 1
1492 1 83 VAL QG 1 111 PHE QE . . 3.960 2.725 2.281 3.249 . 0 0 "[ . 1 . 2]" 1
1493 1 84 ILE H 1 84 ILE HB . . 3.430 2.640 2.437 2.868 . 0 0 "[ . 1 . 2]" 1
1494 1 84 ILE H 1 84 ILE MD . . 3.940 3.247 2.464 4.020 0.080 8 0 "[ . 1 . 2]" 1
1495 1 84 ILE H 1 84 ILE HG12 . . 4.370 4.341 2.918 4.457 0.087 9 0 "[ . 1 . 2]" 1
1496 1 84 ILE H 1 84 ILE HG13 . . 3.980 3.466 3.059 4.321 0.341 14 0 "[ . 1 . 2]" 1
1497 1 84 ILE H 1 84 ILE MG . . 3.880 3.846 3.699 3.967 0.087 14 0 "[ . 1 . 2]" 1
1498 1 84 ILE HA 1 84 ILE MD . . 4.090 3.616 2.311 3.930 . 0 0 "[ . 1 . 2]" 1
1499 1 84 ILE HA 1 84 ILE HG12 . . 3.790 3.134 2.577 3.727 . 0 0 "[ . 1 . 2]" 1
1500 1 84 ILE HA 1 84 ILE HG13 . . 3.870 2.634 2.253 3.868 . 0 0 "[ . 1 . 2]" 1
1501 1 84 ILE HA 1 84 ILE MG . . 3.160 2.443 2.279 2.616 . 0 0 "[ . 1 . 2]" 1
1502 1 84 ILE HA 1 85 ILE H . . 2.980 2.178 2.091 2.273 . 0 0 "[ . 1 . 2]" 1
1503 1 84 ILE HB 1 84 ILE MD . . 3.080 2.359 2.257 3.206 0.126 14 0 "[ . 1 . 2]" 1
1504 1 84 ILE HG12 1 84 ILE MG . . 3.220 2.263 2.134 3.165 . 0 0 "[ . 1 . 2]" 1
1505 1 84 ILE HG13 1 85 ILE H . . 5.180 4.639 4.192 5.206 0.026 14 0 "[ . 1 . 2]" 1
1506 1 84 ILE MG 1 85 ILE H . . 3.330 2.637 2.183 3.157 . 0 0 "[ . 1 . 2]" 1
1507 1 84 ILE MG 1 86 ASN H . . 5.500 4.683 4.283 5.138 . 0 0 "[ . 1 . 2]" 1
1508 1 84 ILE MG 1 86 ASN HA . . 4.850 4.348 3.922 4.813 . 0 0 "[ . 1 . 2]" 1
1509 1 85 ILE H 1 85 ILE HB . . 3.350 2.666 2.312 2.817 . 0 0 "[ . 1 . 2]" 1
1510 1 85 ILE H 1 85 ILE MD . . 4.440 3.958 3.587 4.206 . 0 0 "[ . 1 . 2]" 1
1511 1 85 ILE H 1 85 ILE QG . . 4.540 2.513 2.169 2.769 . 0 0 "[ . 1 . 2]" 1
1512 1 85 ILE H 1 85 ILE MG . . 4.240 3.874 3.723 3.943 . 0 0 "[ . 1 . 2]" 1
1513 1 85 ILE HA 1 85 ILE MD . . 4.100 3.906 3.747 4.034 . 0 0 "[ . 1 . 2]" 1
1514 1 85 ILE HA 1 85 ILE MG . . 3.510 2.341 2.221 2.474 . 0 0 "[ . 1 . 2]" 1
1515 1 85 ILE HA 1 86 ASN H . . 3.180 2.246 2.146 2.503 . 0 0 "[ . 1 . 2]" 1
1516 1 85 ILE HA 1 86 ASN HB2 . . 5.350 4.652 4.325 5.735 0.385 19 0 "[ . 1 . 2]" 1
1517 1 85 ILE HA 1 86 ASN QD . . 5.500 3.624 3.088 5.281 . 0 0 "[ . 1 . 2]" 1
1518 1 85 ILE HB 1 85 ILE MD . . 3.040 2.486 2.384 2.662 . 0 0 "[ . 1 . 2]" 1
1519 1 85 ILE HB 1 86 ASN H . . 4.630 4.007 3.615 4.175 . 0 0 "[ . 1 . 2]" 1
1520 1 85 ILE MD 1 85 ILE MG . . 3.180 2.072 1.993 2.104 . 0 0 "[ . 1 . 2]" 1
1521 1 85 ILE MD 1 111 PHE QD . . 3.770 2.546 2.187 3.297 . 0 0 "[ . 1 . 2]" 1
1522 1 85 ILE MD 1 113 GLN HE22 . . 5.500 5.026 4.579 5.408 . 0 0 "[ . 1 . 2]" 1
1523 1 85 ILE QG 1 86 ASN H . . 5.070 4.356 4.237 4.576 . 0 0 "[ . 1 . 2]" 1
1524 1 85 ILE MG 1 86 ASN H . . 3.650 2.503 1.987 2.683 . 0 0 "[ . 1 . 2]" 1
1525 1 85 ILE MG 1 86 ASN HA . . 5.500 4.202 3.986 4.383 . 0 0 "[ . 1 . 2]" 1
1526 1 85 ILE MG 1 86 ASN HB2 . . 4.960 4.312 3.920 5.325 0.365 15 0 "[ . 1 . 2]" 1
1527 1 85 ILE MG 1 113 GLN QB . . 4.310 3.164 2.747 3.490 . 0 0 "[ . 1 . 2]" 1
1528 1 85 ILE MG 1 113 GLN HE21 . . 4.100 3.282 2.643 4.187 0.087 8 0 "[ . 1 . 2]" 1
1529 1 85 ILE MG 1 113 GLN HE22 . . 3.630 2.500 2.187 2.808 . 0 0 "[ . 1 . 2]" 1
1530 1 86 ASN H 1 86 ASN HB2 . . 3.740 2.546 2.296 3.700 . 0 0 "[ . 1 . 2]" 1
1531 1 86 ASN H 1 86 ASN QB . . 3.420 2.425 2.270 2.913 . 0 0 "[ . 1 . 2]" 1
1532 1 86 ASN H 1 86 ASN HB3 . . 3.610 3.554 2.744 3.677 0.067 4 0 "[ . 1 . 2]" 1
1533 1 86 ASN H 1 86 ASN QD . . 5.460 2.688 2.210 3.604 . 0 0 "[ . 1 . 2]" 1
1534 1 86 ASN H 1 87 ARG H . . 4.810 4.497 4.284 4.596 . 0 0 "[ . 1 . 2]" 1
1535 1 86 ASN HA 1 87 ARG H . . 3.170 2.355 2.226 2.489 . 0 0 "[ . 1 . 2]" 1
1536 1 86 ASN HA 1 87 ARG HB3 . . 4.820 4.653 4.460 4.882 0.062 19 0 "[ . 1 . 2]" 1
1537 1 86 ASN QB 1 87 ARG H . . 3.300 2.225 1.957 2.421 . 0 0 "[ . 1 . 2]" 1
1538 1 86 ASN HB2 1 87 ARG H . . 3.550 3.428 2.101 3.632 0.082 11 0 "[ . 1 . 2]" 1
1539 1 86 ASN HB3 1 87 ARG H . . 3.690 2.397 1.974 3.620 . 0 0 "[ . 1 . 2]" 1
1540 1 86 ASN QD 1 87 ARG H . . 5.500 4.568 4.116 4.843 . 0 0 "[ . 1 . 2]" 1
1541 1 87 ARG H 1 87 ARG HB2 . . 3.200 2.663 2.489 2.876 . 0 0 "[ . 1 . 2]" 1
1542 1 87 ARG H 1 87 ARG HB3 . . 3.350 2.341 2.155 2.548 . 0 0 "[ . 1 . 2]" 1
1543 1 87 ARG H 1 87 ARG HD2 . . 4.500 4.217 3.891 4.516 0.016 12 0 "[ . 1 . 2]" 1
1544 1 87 ARG H 1 87 ARG HG2 . . 4.370 4.436 4.360 4.453 0.083 10 0 "[ . 1 . 2]" 1
1545 1 87 ARG H 1 88 ASN H . . 4.790 4.572 4.482 4.677 . 0 0 "[ . 1 . 2]" 1
1546 1 87 ARG HA 1 87 ARG HD2 . . 4.080 4.040 3.915 4.146 0.066 5 0 "[ . 1 . 2]" 1
1547 1 87 ARG HA 1 87 ARG HG2 . . 3.880 2.529 2.263 2.760 . 0 0 "[ . 1 . 2]" 1
1548 1 87 ARG HA 1 88 ASN H . . 2.970 2.144 2.057 2.287 . 0 0 "[ . 1 . 2]" 1
1549 1 87 ARG HA 1 88 ASN HA . . 4.540 4.397 4.291 4.498 . 0 0 "[ . 1 . 2]" 1
1550 1 87 ARG HA 1 113 GLN HE21 . . 4.320 3.820 3.208 4.372 0.052 4 0 "[ . 1 . 2]" 1
1551 1 87 ARG HA 1 113 GLN HE22 . . 3.810 3.175 2.932 3.643 . 0 0 "[ . 1 . 2]" 1
1552 1 87 ARG HB2 1 88 ASN H . . 4.100 4.024 3.902 4.146 0.046 6 0 "[ . 1 . 2]" 1
1553 1 87 ARG HB3 1 87 ARG HD2 . . 3.840 2.285 2.193 2.440 . 0 0 "[ . 1 . 2]" 1
1554 1 87 ARG HB3 1 87 ARG HD3 . . 3.840 3.521 3.436 3.643 . 0 0 "[ . 1 . 2]" 1
1555 1 87 ARG HB3 1 88 ASN H . . 4.360 4.197 4.124 4.313 . 0 0 "[ . 1 . 2]" 1
1556 1 87 ARG HD2 1 88 ASN H . . 4.900 3.982 3.754 4.272 . 0 0 "[ . 1 . 2]" 1
1557 1 87 ARG HD2 1 88 ASN HA . . 4.400 4.453 4.203 4.489 0.089 14 0 "[ . 1 . 2]" 1
1558 1 87 ARG HD3 1 88 ASN H . . 4.890 3.424 3.021 4.018 . 0 0 "[ . 1 . 2]" 1
1559 1 87 ARG HD3 1 88 ASN HA . . 4.270 4.236 3.706 4.353 0.083 20 0 "[ . 1 . 2]" 1
1560 1 87 ARG HG2 1 88 ASN H . . 4.180 2.424 2.336 2.500 . 0 0 "[ . 1 . 2]" 1
1561 1 87 ARG HG2 1 88 ASN HA . . 4.680 4.662 4.256 4.764 0.084 12 0 "[ . 1 . 2]" 1
1562 1 87 ARG HG2 1 89 GLU HA . . 5.390 4.862 4.209 5.450 0.060 12 0 "[ . 1 . 2]" 1
1563 1 87 ARG HG3 1 88 ASN H . . 4.070 4.112 4.026 4.148 0.078 19 0 "[ . 1 . 2]" 1
1564 1 88 ASN H 1 88 ASN HB2 . . 3.800 2.698 2.384 3.015 . 0 0 "[ . 1 . 2]" 1
1565 1 88 ASN H 1 88 ASN HB3 . . 4.000 2.478 2.365 2.662 . 0 0 "[ . 1 . 2]" 1
1566 1 88 ASN H 1 89 GLU H . . 5.270 4.446 4.294 4.647 . 0 0 "[ . 1 . 2]" 1
1567 1 88 ASN H 1 113 GLN HE21 . . 4.460 3.746 2.690 4.375 . 0 0 "[ . 1 . 2]" 1
1568 1 88 ASN H 1 113 GLN HE22 . . 4.070 3.449 2.980 3.862 . 0 0 "[ . 1 . 2]" 1
1569 1 88 ASN H 1 113 GLN QG . . 5.500 4.278 3.926 4.668 . 0 0 "[ . 1 . 2]" 1
1570 1 88 ASN HA 1 88 ASN HD22 . . 5.500 4.755 4.627 4.856 . 0 0 "[ . 1 . 2]" 1
1571 1 88 ASN HA 1 89 GLU H . . 3.150 2.188 2.083 2.305 . 0 0 "[ . 1 . 2]" 1
1572 1 88 ASN HA 1 89 GLU HG2 . . 5.500 4.041 3.526 4.769 . 0 0 "[ . 1 . 2]" 1
1573 1 88 ASN HA 1 90 THR H . . 3.940 3.706 3.297 4.000 0.060 9 0 "[ . 1 . 2]" 1
1574 1 88 ASN HB2 1 89 GLU H . . 5.230 4.379 4.104 4.514 . 0 0 "[ . 1 . 2]" 1
1575 1 88 ASN HB2 1 90 THR H . . 5.500 4.580 4.431 5.099 . 0 0 "[ . 1 . 2]" 1
1576 1 88 ASN HB2 1 113 GLN HE21 . . 5.500 3.725 2.249 4.440 . 0 0 "[ . 1 . 2]" 1
1577 1 88 ASN HB2 1 115 ALA HA . . 4.680 4.809 4.704 4.845 0.165 1 0 "[ . 1 . 2]" 1
1578 1 88 ASN HB2 1 116 ALA H . . 5.500 5.185 4.719 5.565 0.065 6 0 "[ . 1 . 2]" 1
1579 1 88 ASN HB2 1 116 ALA MB . . 5.120 4.754 3.864 5.685 0.565 6 1 "[ .+ 1 . 2]" 1
1580 1 88 ASN HB3 1 89 GLU H . . 5.040 4.262 3.801 4.435 . 0 0 "[ . 1 . 2]" 1
1581 1 88 ASN HB3 1 113 GLN HE21 . . 5.500 4.524 3.087 5.054 . 0 0 "[ . 1 . 2]" 1
1582 1 88 ASN HB3 1 113 GLN HE22 . . 5.350 4.730 4.212 5.026 . 0 0 "[ . 1 . 2]" 1
1583 1 88 ASN HB3 1 115 ALA HA . . 4.760 3.998 3.629 4.302 . 0 0 "[ . 1 . 2]" 1
1584 1 88 ASN HB3 1 116 ALA H . . 5.500 3.788 3.369 4.145 . 0 0 "[ . 1 . 2]" 1
1585 1 88 ASN HD21 1 90 THR H . . 5.230 4.446 4.094 4.667 . 0 0 "[ . 1 . 2]" 1
1586 1 88 ASN HD21 1 92 ALA H . . 5.200 4.754 4.214 5.178 . 0 0 "[ . 1 . 2]" 1
1587 1 88 ASN HD21 1 93 SER HA . . 4.450 3.214 2.946 3.656 . 0 0 "[ . 1 . 2]" 1
1588 1 88 ASN HD21 1 94 ARG H . . 5.500 4.500 4.009 5.196 . 0 0 "[ . 1 . 2]" 1
1589 1 88 ASN HD21 1 113 GLN QG . . 5.160 2.885 2.490 3.950 . 0 0 "[ . 1 . 2]" 1
1590 1 88 ASN HD21 1 115 ALA H . . 5.500 4.407 4.022 5.297 . 0 0 "[ . 1 . 2]" 1
1591 1 88 ASN HD21 1 115 ALA HA . . 3.480 2.407 2.105 2.844 . 0 0 "[ . 1 . 2]" 1
1592 1 88 ASN HD21 1 115 ALA MB . . 5.100 4.049 3.770 4.298 . 0 0 "[ . 1 . 2]" 1
1593 1 88 ASN HD21 1 116 ALA H . . 4.330 3.606 3.055 4.096 . 0 0 "[ . 1 . 2]" 1
1594 1 88 ASN HD21 1 116 ALA MB . . 5.500 4.461 3.651 5.029 . 0 0 "[ . 1 . 2]" 1
1595 1 88 ASN HD22 1 89 GLU H . . 5.500 5.309 4.508 5.577 0.077 19 0 "[ . 1 . 2]" 1
1596 1 88 ASN HD22 1 90 THR H . . 5.130 3.726 3.390 3.948 . 0 0 "[ . 1 . 2]" 1
1597 1 88 ASN HD22 1 90 THR MG . . 5.500 4.991 4.054 5.558 0.058 8 0 "[ . 1 . 2]" 1
1598 1 88 ASN HD22 1 92 ALA H . . 4.580 3.306 2.889 3.608 . 0 0 "[ . 1 . 2]" 1
1599 1 88 ASN HD22 1 92 ALA MB . . 5.190 4.044 3.764 4.299 . 0 0 "[ . 1 . 2]" 1
1600 1 88 ASN HD22 1 93 SER HA . . 4.260 3.275 2.925 4.224 . 0 0 "[ . 1 . 2]" 1
1601 1 88 ASN HD22 1 94 ARG H . . 5.160 4.719 4.086 5.227 0.067 10 0 "[ . 1 . 2]" 1
1602 1 88 ASN HD22 1 94 ARG QG . . 5.500 3.734 2.804 4.620 . 0 0 "[ . 1 . 2]" 1
1603 1 88 ASN HD22 1 115 ALA HA . . 3.470 2.613 2.092 3.535 0.065 17 0 "[ . 1 . 2]" 1
1604 1 88 ASN HD22 1 115 ALA MB . . 4.520 3.892 3.550 4.421 . 0 0 "[ . 1 . 2]" 1
1605 1 88 ASN HD22 1 116 ALA H . . 4.340 3.657 3.016 4.215 . 0 0 "[ . 1 . 2]" 1
1606 1 88 ASN HD22 1 116 ALA MB . . 5.470 4.680 3.967 5.248 . 0 0 "[ . 1 . 2]" 1
1607 1 89 GLU H 1 89 GLU HB2 . . 3.940 3.690 3.611 3.826 . 0 0 "[ . 1 . 2]" 1
1608 1 89 GLU H 1 89 GLU HB3 . . 3.670 2.885 2.420 3.157 . 0 0 "[ . 1 . 2]" 1
1609 1 89 GLU H 1 89 GLU HG2 . . 3.980 2.188 1.852 3.019 . 0 0 "[ . 1 . 2]" 1
1610 1 89 GLU H 1 89 GLU HG3 . . 3.920 2.986 1.992 3.677 . 0 0 "[ . 1 . 2]" 1
1611 1 89 GLU H 1 90 THR H . . 3.270 2.666 2.247 3.157 . 0 0 "[ . 1 . 2]" 1
1612 1 89 GLU H 1 90 THR MG . . 3.890 3.688 3.194 3.987 0.097 1 0 "[ . 1 . 2]" 1
1613 1 89 GLU HA 1 116 ALA MB . . 3.400 3.215 2.637 3.492 0.092 12 0 "[ . 1 . 2]" 1
1614 1 89 GLU HB2 1 90 THR H . . 4.980 4.506 4.107 4.627 . 0 0 "[ . 1 . 2]" 1
1615 1 89 GLU HB2 1 90 THR MG . . 4.530 4.153 3.655 4.603 0.073 1 0 "[ . 1 . 2]" 1
1616 1 89 GLU HB3 1 90 THR H . . 4.750 4.597 4.390 4.769 0.019 2 0 "[ . 1 . 2]" 1
1617 1 89 GLU HG2 1 90 THR H . . 5.070 4.118 3.464 5.144 0.074 14 0 "[ . 1 . 2]" 1
1618 1 89 GLU HG2 1 90 THR MG . . 4.240 3.453 2.321 4.328 0.088 1 0 "[ . 1 . 2]" 1
1619 1 89 GLU HG3 1 90 THR H . . 4.880 3.870 2.625 4.942 0.062 17 0 "[ . 1 . 2]" 1
1620 1 89 GLU HG3 1 90 THR MG . . 4.560 2.513 2.085 3.417 . 0 0 "[ . 1 . 2]" 1
1621 1 90 THR H 1 90 THR MG . . 3.100 3.043 2.664 3.190 0.090 8 0 "[ . 1 . 2]" 1
1622 1 90 THR H 1 91 ASN H . . 4.800 4.426 4.247 4.551 . 0 0 "[ . 1 . 2]" 1
1623 1 90 THR H 1 116 ALA H . . 4.640 3.842 3.431 4.176 . 0 0 "[ . 1 . 2]" 1
1624 1 90 THR HA 1 90 THR HB . . 2.850 2.464 2.265 2.633 . 0 0 "[ . 1 . 2]" 1
1625 1 90 THR HA 1 90 THR MG . . 3.060 2.326 2.079 2.491 . 0 0 "[ . 1 . 2]" 1
1626 1 90 THR HA 1 91 ASN H . . 3.080 2.228 2.009 2.368 . 0 0 "[ . 1 . 2]" 1
1627 1 90 THR HA 1 92 ALA H . . 4.430 4.092 3.719 4.504 0.074 8 0 "[ . 1 . 2]" 1
1628 1 90 THR HB 1 91 ASN H . . 3.000 2.476 2.214 3.014 0.014 11 0 "[ . 1 . 2]" 1
1629 1 90 THR HB 1 92 ALA H . . 3.650 2.882 2.285 3.620 . 0 0 "[ . 1 . 2]" 1
1630 1 90 THR HB 1 92 ALA MB . . 4.300 3.523 2.983 4.339 0.039 16 0 "[ . 1 . 2]" 1
1631 1 90 THR MG 1 91 ASN H . . 3.690 3.548 2.946 3.727 0.037 3 0 "[ . 1 . 2]" 1
1632 1 90 THR MG 1 91 ASN HB3 . . 5.500 5.532 4.802 5.607 0.107 10 0 "[ . 1 . 2]" 1
1633 1 90 THR MG 1 91 ASN HD21 . . 5.500 4.482 4.074 5.602 0.102 1 0 "[ . 1 . 2]" 1
1634 1 90 THR MG 1 91 ASN HD22 . . 5.500 4.876 4.312 5.591 0.091 13 0 "[ . 1 . 2]" 1
1635 1 91 ASN H 1 91 ASN HB2 . . 3.640 3.556 3.411 3.680 0.040 8 0 "[ . 1 . 2]" 1
1636 1 91 ASN H 1 91 ASN HB3 . . 3.580 2.496 2.264 2.882 . 0 0 "[ . 1 . 2]" 1
1637 1 91 ASN H 1 91 ASN HD21 . . 5.500 2.305 1.883 4.178 . 0 0 "[ . 1 . 2]" 1
1638 1 91 ASN H 1 91 ASN HD22 . . 5.500 3.323 2.949 4.061 . 0 0 "[ . 1 . 2]" 1
1639 1 91 ASN H 1 92 ALA H . . 3.250 3.012 2.778 3.311 0.061 8 0 "[ . 1 . 2]" 1
1640 1 91 ASN H 1 115 ALA MB . . 5.340 4.678 4.382 5.039 . 0 0 "[ . 1 . 2]" 1
1641 1 91 ASN HA 1 91 ASN HD21 . . 4.650 4.116 3.724 4.303 . 0 0 "[ . 1 . 2]" 1
1642 1 91 ASN HA 1 91 ASN HD22 . . 5.010 5.082 5.002 5.103 0.093 17 0 "[ . 1 . 2]" 1
1643 1 91 ASN HA 1 115 ALA HA . . 4.170 4.123 3.739 4.248 0.078 14 0 "[ . 1 . 2]" 1
1644 1 91 ASN HA 1 115 ALA MB . . 3.040 2.475 2.065 2.930 . 0 0 "[ . 1 . 2]" 1
1645 1 91 ASN HA 1 116 ALA H . . 3.840 3.091 2.728 3.428 . 0 0 "[ . 1 . 2]" 1
1646 1 91 ASN HB2 1 91 ASN HD21 . . 3.560 3.478 2.366 3.639 0.079 13 0 "[ . 1 . 2]" 1
1647 1 91 ASN HB2 1 92 ALA H . . 4.860 4.509 4.403 4.645 . 0 0 "[ . 1 . 2]" 1
1648 1 91 ASN HB2 1 115 ALA MB . . 4.900 3.853 3.469 4.213 . 0 0 "[ . 1 . 2]" 1
1649 1 91 ASN HB3 1 92 ALA H . . 5.440 4.563 4.458 4.675 . 0 0 "[ . 1 . 2]" 1
1650 1 91 ASN HB3 1 115 ALA MB . . 4.900 4.572 4.031 4.966 0.066 14 0 "[ . 1 . 2]" 1
1651 1 91 ASN HB3 1 116 ALA H . . 5.330 5.304 4.884 5.404 0.074 1 0 "[ . 1 . 2]" 1
1652 1 91 ASN HD22 1 92 ALA MB . . 5.500 4.286 3.126 5.585 0.085 8 0 "[ . 1 . 2]" 1
1653 1 92 ALA H 1 92 ALA MB . . 3.060 2.495 2.360 2.786 . 0 0 "[ . 1 . 2]" 1
1654 1 92 ALA H 1 93 SER H . . 4.810 4.409 4.291 4.533 . 0 0 "[ . 1 . 2]" 1
1655 1 92 ALA H 1 115 ALA HA . . 4.150 3.715 3.088 4.026 . 0 0 "[ . 1 . 2]" 1
1656 1 92 ALA H 1 115 ALA MB . . 3.760 3.312 2.827 3.795 0.035 4 0 "[ . 1 . 2]" 1
1657 1 92 ALA H 1 116 ALA H . . 4.020 3.954 3.237 4.097 0.077 10 0 "[ . 1 . 2]" 1
1658 1 92 ALA HA 1 93 SER H . . 2.770 2.256 2.089 2.632 . 0 0 "[ . 1 . 2]" 1
1659 1 92 ALA HA 1 115 ALA MB . . 3.970 2.866 2.545 3.328 . 0 0 "[ . 1 . 2]" 1
1660 1 92 ALA MB 1 93 SER H . . 3.010 3.033 2.645 3.115 0.105 12 0 "[ . 1 . 2]" 1
1661 1 92 ALA MB 1 93 SER HA . . 5.500 4.396 4.270 4.550 . 0 0 "[ . 1 . 2]" 1
1662 1 93 SER H 1 93 SER HB2 . . 3.280 3.230 2.416 3.376 0.096 10 0 "[ . 1 . 2]" 1
1663 1 93 SER H 1 93 SER HB3 . . 3.250 2.789 2.137 3.350 0.100 1 0 "[ . 1 . 2]" 1
1664 1 93 SER H 1 94 ARG QB . . 5.500 5.419 5.005 5.619 0.119 8 0 "[ . 1 . 2]" 1
1665 1 93 SER H 1 114 ASP HA . . 5.230 5.090 4.686 5.309 0.079 4 0 "[ . 1 . 2]" 1
1666 1 93 SER H 1 115 ALA MB . . 3.480 2.739 2.450 3.533 0.053 8 0 "[ . 1 . 2]" 1
1667 1 93 SER HA 1 94 ARG H . . 2.890 2.362 2.031 2.604 . 0 0 "[ . 1 . 2]" 1
1668 1 93 SER HA 1 94 ARG QG . . 5.500 3.460 2.602 4.151 . 0 0 "[ . 1 . 2]" 1
1669 1 93 SER HA 1 114 ASP HA . . 3.510 3.372 2.989 3.579 0.069 3 0 "[ . 1 . 2]" 1
1670 1 93 SER HA 1 115 ALA H . . 4.240 3.593 3.122 3.984 . 0 0 "[ . 1 . 2]" 1
1671 1 93 SER HA 1 115 ALA HA . . 4.230 3.198 2.756 3.604 . 0 0 "[ . 1 . 2]" 1
1672 1 93 SER HA 1 115 ALA MB . . 4.310 3.340 3.175 3.574 . 0 0 "[ . 1 . 2]" 1
1673 1 93 SER HB2 1 94 ARG H . . 3.590 2.928 2.501 3.660 0.070 16 0 "[ . 1 . 2]" 1
1674 1 93 SER HB2 1 94 ARG HA . . 5.050 4.637 4.148 5.141 0.091 19 0 "[ . 1 . 2]" 1
1675 1 93 SER HB2 1 115 ALA H . . 4.400 4.001 2.824 4.473 0.073 9 0 "[ . 1 . 2]" 1
1676 1 93 SER HB2 1 115 ALA MB . . 5.500 4.175 3.358 4.677 . 0 0 "[ . 1 . 2]" 1
1677 1 93 SER HB3 1 94 ARG H . . 3.820 3.668 2.779 3.914 0.094 18 0 "[ . 1 . 2]" 1
1678 1 93 SER HB3 1 114 ASP HA . . 3.930 2.604 2.027 3.647 . 0 0 "[ . 1 . 2]" 1
1679 1 93 SER HB3 1 115 ALA H . . 4.350 2.914 2.333 3.695 . 0 0 "[ . 1 . 2]" 1
1680 1 93 SER HB3 1 115 ALA MB . . 4.940 3.150 2.437 4.345 . 0 0 "[ . 1 . 2]" 1
1681 1 94 ARG H 1 94 ARG QG . . 3.880 2.447 2.126 2.606 . 0 0 "[ . 1 . 2]" 1
1682 1 94 ARG H 1 95 SER H . . 4.850 4.442 4.347 4.589 . 0 0 "[ . 1 . 2]" 1
1683 1 94 ARG H 1 113 GLN H . . 3.860 3.235 2.999 3.470 . 0 0 "[ . 1 . 2]" 1
1684 1 94 ARG H 1 113 GLN QB . . 4.840 3.362 3.025 4.083 . 0 0 "[ . 1 . 2]" 1
1685 1 94 ARG H 1 113 GLN QG . . 5.360 4.020 3.451 5.179 . 0 0 "[ . 1 . 2]" 1
1686 1 94 ARG HA 1 95 SER H . . 2.920 2.584 2.348 2.797 . 0 0 "[ . 1 . 2]" 1
1687 1 94 ARG HA 1 95 SER HA . . 4.550 4.539 4.416 4.599 0.049 4 0 "[ . 1 . 2]" 1
1688 1 94 ARG QB 1 95 SER H . . 3.610 2.437 2.080 2.852 . 0 0 "[ . 1 . 2]" 1
1689 1 94 ARG QB 1 95 SER HA . . 4.670 4.211 3.429 4.515 . 0 0 "[ . 1 . 2]" 1
1690 1 94 ARG QD 1 95 SER H . . 5.500 4.841 2.896 5.568 0.068 13 0 "[ . 1 . 2]" 1
1691 1 94 ARG QG 1 95 SER H . . 4.890 3.866 3.163 4.386 . 0 0 "[ . 1 . 2]" 1
1692 1 94 ARG QG 1 113 GLN H . . 5.500 3.638 3.133 4.451 . 0 0 "[ . 1 . 2]" 1
1693 1 94 ARG QG 1 113 GLN QB . . 4.740 2.342 2.039 3.016 . 0 0 "[ . 1 . 2]" 1
1694 1 95 SER H 1 96 PHE H . . 5.490 4.340 4.201 4.455 . 0 0 "[ . 1 . 2]" 1
1695 1 95 SER H 1 113 GLN H . . 5.500 4.682 4.475 5.481 . 0 0 "[ . 1 . 2]" 1
1696 1 95 SER HA 1 96 PHE H . . 3.010 2.268 2.026 2.416 . 0 0 "[ . 1 . 2]" 1
1697 1 95 SER HA 1 96 PHE HA . . 4.870 4.418 4.195 4.524 . 0 0 "[ . 1 . 2]" 1
1698 1 95 SER HA 1 96 PHE QD . . 4.920 4.191 3.193 4.751 . 0 0 "[ . 1 . 2]" 1
1699 1 95 SER HA 1 111 PHE HB2 . . 5.500 4.728 4.231 5.185 . 0 0 "[ . 1 . 2]" 1
1700 1 95 SER HA 1 112 VAL H . . 5.290 4.667 4.431 5.369 0.079 6 0 "[ . 1 . 2]" 1
1701 1 95 SER HA 1 112 VAL HA . . 3.550 2.171 1.925 3.003 . 0 0 "[ . 1 . 2]" 1
1702 1 95 SER HA 1 112 VAL QG . . 4.350 3.513 2.938 4.256 . 0 0 "[ . 1 . 2]" 1
1703 1 95 SER HA 1 113 GLN H . . 4.010 2.798 2.422 3.658 . 0 0 "[ . 1 . 2]" 1
1704 1 95 SER QB 1 96 PHE H . . 3.470 2.665 2.160 3.281 . 0 0 "[ . 1 . 2]" 1
1705 1 95 SER QB 1 111 PHE H . . 5.500 4.502 3.961 5.231 . 0 0 "[ . 1 . 2]" 1
1706 1 95 SER QB 1 112 VAL HA . . 3.920 2.463 2.053 2.855 . 0 0 "[ . 1 . 2]" 1
1707 1 95 SER QB 1 112 VAL HB . . 4.490 3.353 2.157 4.471 . 0 0 "[ . 1 . 2]" 1
1708 1 95 SER QB 1 112 VAL QG . . 3.690 2.559 2.027 3.430 . 0 0 "[ . 1 . 2]" 1
1709 1 95 SER QB 1 113 GLN H . . 4.530 3.877 3.415 4.227 . 0 0 "[ . 1 . 2]" 1
1710 1 96 PHE H 1 96 PHE QD . . 4.200 3.757 2.919 4.246 0.046 5 0 "[ . 1 . 2]" 1
1711 1 96 PHE H 1 97 THR H . . 4.890 4.413 4.265 4.522 . 0 0 "[ . 1 . 2]" 1
1712 1 96 PHE H 1 111 PHE H . . 4.050 3.266 2.759 3.993 . 0 0 "[ . 1 . 2]" 1
1713 1 96 PHE H 1 111 PHE HB2 . . 4.930 3.116 2.609 3.618 . 0 0 "[ . 1 . 2]" 1
1714 1 96 PHE H 1 111 PHE HB3 . . 4.480 3.950 3.283 4.548 0.068 16 0 "[ . 1 . 2]" 1
1715 1 96 PHE H 1 112 VAL HA . . 4.640 3.376 2.850 3.694 . 0 0 "[ . 1 . 2]" 1
1716 1 96 PHE H 1 113 GLN H . . 5.500 4.656 4.340 5.105 . 0 0 "[ . 1 . 2]" 1
1717 1 96 PHE HA 1 96 PHE QD . . 4.120 3.124 2.839 3.775 . 0 0 "[ . 1 . 2]" 1
1718 1 96 PHE HA 1 97 THR H . . 3.120 2.476 2.378 2.631 . 0 0 "[ . 1 . 2]" 1
1719 1 96 PHE HB2 1 97 THR H . . 3.980 3.754 2.232 4.066 0.086 6 0 "[ . 1 . 2]" 1
1720 1 96 PHE HB3 1 97 THR H . . 3.880 2.875 2.515 3.814 . 0 0 "[ . 1 . 2]" 1
1721 1 96 PHE QD 1 97 THR H . . 4.180 2.581 2.114 3.131 . 0 0 "[ . 1 . 2]" 1
1722 1 96 PHE QD 1 98 VAL QG . . 3.390 2.931 2.190 3.424 0.034 3 0 "[ . 1 . 2]" 1
1723 1 96 PHE QD 1 111 PHE HB2 . . 4.170 4.053 3.161 4.262 0.092 4 0 "[ . 1 . 2]" 1
1724 1 96 PHE QD 1 113 GLN H . . 5.500 5.517 4.743 5.602 0.102 18 0 "[ . 1 . 2]" 1
1725 1 96 PHE QD 1 113 GLN QB . . 5.060 4.562 4.250 4.698 . 0 0 "[ . 1 . 2]" 1
1726 1 97 THR H 1 97 THR HB . . 3.690 3.053 2.807 3.231 . 0 0 "[ . 1 . 2]" 1
1727 1 97 THR HA 1 97 THR MG . . 3.310 2.393 2.239 2.538 . 0 0 "[ . 1 . 2]" 1
1728 1 97 THR HA 1 98 VAL H . . 3.000 2.238 2.143 2.401 . 0 0 "[ . 1 . 2]" 1
1729 1 97 THR HA 1 110 LYS HA . . 3.220 2.485 2.159 2.859 . 0 0 "[ . 1 . 2]" 1
1730 1 97 THR HA 1 110 LYS QB . . 4.850 4.531 3.938 4.870 0.020 10 0 "[ . 1 . 2]" 1
1731 1 97 THR HA 1 110 LYS QG . . 4.420 3.768 2.951 4.372 . 0 0 "[ . 1 . 2]" 1
1732 1 97 THR HA 1 111 PHE H . . 3.910 2.981 2.517 3.654 . 0 0 "[ . 1 . 2]" 1
1733 1 97 THR HA 1 111 PHE QD . . 4.130 3.361 2.243 4.163 0.033 9 0 "[ . 1 . 2]" 1
1734 1 97 THR HB 1 98 VAL H . . 4.600 3.979 3.755 4.429 . 0 0 "[ . 1 . 2]" 1
1735 1 97 THR HB 1 99 CYS H . . 5.500 5.308 4.097 5.572 0.072 19 0 "[ . 1 . 2]" 1
1736 1 97 THR MG 1 98 VAL H . . 3.280 2.567 2.165 3.365 0.085 4 0 "[ . 1 . 2]" 1
1737 1 97 THR MG 1 99 CYS H . . 4.360 3.973 2.953 4.430 0.070 4 0 "[ . 1 . 2]" 1
1738 1 97 THR MG 1 99 CYS QB . . 5.500 3.526 2.539 4.395 . 0 0 "[ . 1 . 2]" 1
1739 1 97 THR MG 1 108 GLU QB . . 4.140 3.669 2.394 4.276 0.136 4 0 "[ . 1 . 2]" 1
1740 1 97 THR MG 1 108 GLU QG . . 3.900 2.265 1.864 3.429 . 0 0 "[ . 1 . 2]" 1
1741 1 97 THR MG 1 109 PHE H . . 4.050 3.360 2.981 4.147 0.097 4 0 "[ . 1 . 2]" 1
1742 1 97 THR MG 1 110 LYS HA . . 3.080 2.730 2.298 3.181 0.101 4 0 "[ . 1 . 2]" 1
1743 1 97 THR MG 1 110 LYS QE . . 5.500 3.836 2.047 5.601 0.101 1 0 "[ . 1 . 2]" 1
1744 1 98 VAL H 1 98 VAL HB . . 3.930 3.120 2.294 3.797 . 0 0 "[ . 1 . 2]" 1
1745 1 98 VAL H 1 98 VAL QG . . 3.760 2.466 1.911 3.048 . 0 0 "[ . 1 . 2]" 1
1746 1 98 VAL H 1 99 CYS H . . 4.780 4.175 3.764 4.378 . 0 0 "[ . 1 . 2]" 1
1747 1 98 VAL H 1 109 PHE H . . 4.030 3.000 2.855 3.182 . 0 0 "[ . 1 . 2]" 1
1748 1 98 VAL H 1 109 PHE QD . . 5.190 4.877 4.515 5.210 0.020 11 0 "[ . 1 . 2]" 1
1749 1 98 VAL H 1 110 LYS H . . 5.500 5.102 4.860 5.358 . 0 0 "[ . 1 . 2]" 1
1750 1 98 VAL H 1 110 LYS HA . . 4.600 3.846 3.353 4.253 . 0 0 "[ . 1 . 2]" 1
1751 1 98 VAL H 1 111 PHE H . . 5.280 4.548 3.652 5.224 . 0 0 "[ . 1 . 2]" 1
1752 1 98 VAL H 1 111 PHE QD . . 4.260 3.522 3.056 3.881 . 0 0 "[ . 1 . 2]" 1
1753 1 98 VAL H 1 111 PHE QE . . 4.300 4.101 2.893 4.397 0.097 17 0 "[ . 1 . 2]" 1
1754 1 98 VAL HA 1 99 CYS H . . 2.900 2.237 2.155 2.338 . 0 0 "[ . 1 . 2]" 1
1755 1 98 VAL HB 1 99 CYS H . . 4.660 3.950 3.098 4.606 . 0 0 "[ . 1 . 2]" 1
1756 1 98 VAL HB 1 109 PHE H . . 4.670 4.091 3.137 4.735 0.065 20 0 "[ . 1 . 2]" 1
1757 1 98 VAL HB 1 109 PHE QD . . 4.290 3.760 2.888 4.380 0.090 17 0 "[ . 1 . 2]" 1
1758 1 98 VAL QG 1 99 CYS H . . 4.520 3.388 2.854 3.808 . 0 0 "[ . 1 . 2]" 1
1759 1 98 VAL QG 1 109 PHE H . . 4.130 3.273 2.423 4.030 . 0 0 "[ . 1 . 2]" 1
1760 1 98 VAL QG 1 109 PHE HB2 . . 5.500 2.749 1.990 4.368 . 0 0 "[ . 1 . 2]" 1
1761 1 98 VAL QG 1 109 PHE QD . . 3.950 2.667 2.033 3.905 . 0 0 "[ . 1 . 2]" 1
1762 1 98 VAL QG 1 111 PHE QD . . 3.630 2.774 2.174 3.623 . 0 0 "[ . 1 . 2]" 1
1763 1 98 VAL QG 1 111 PHE QE . . 3.540 2.373 1.985 3.083 . 0 0 "[ . 1 . 2]" 1
1764 1 99 CYS H 1 99 CYS QB . . 3.630 2.695 2.225 3.120 . 0 0 "[ . 1 . 2]" 1
1765 1 99 CYS H 1 108 GLU HA . . 5.500 4.744 4.391 5.195 . 0 0 "[ . 1 . 2]" 1
1766 1 99 CYS H 1 108 GLU QB . . 5.500 5.156 3.834 5.592 0.092 8 0 "[ . 1 . 2]" 1
1767 1 99 CYS HA 1 100 VAL H . . 3.030 2.183 2.021 2.350 . 0 0 "[ . 1 . 2]" 1
1768 1 99 CYS HA 1 100 VAL MG1 . . 5.150 3.799 3.588 4.137 . 0 0 "[ . 1 . 2]" 1
1769 1 99 CYS HA 1 100 VAL MG2 . . 4.520 3.671 3.341 4.256 . 0 0 "[ . 1 . 2]" 1
1770 1 99 CYS HA 1 108 GLU H . . 5.500 4.735 4.240 5.133 . 0 0 "[ . 1 . 2]" 1
1771 1 99 CYS HA 1 108 GLU HA . . 3.320 2.223 2.014 2.556 . 0 0 "[ . 1 . 2]" 1
1772 1 99 CYS HA 1 108 GLU QB . . 4.050 3.028 1.937 3.728 . 0 0 "[ . 1 . 2]" 1
1773 1 99 CYS HA 1 109 PHE H . . 4.040 3.485 3.128 3.837 . 0 0 "[ . 1 . 2]" 1
1774 1 99 CYS QB 1 100 VAL H . . 4.410 3.274 2.344 3.756 . 0 0 "[ . 1 . 2]" 1
1775 1 99 CYS QB 1 100 VAL MG1 . . 5.480 4.641 4.423 4.862 . 0 0 "[ . 1 . 2]" 1
1776 1 99 CYS QB 1 108 GLU HA . . 4.630 3.541 2.711 4.389 . 0 0 "[ . 1 . 2]" 1
1777 1 99 CYS QB 1 108 GLU QG . . 5.060 2.963 2.188 4.245 . 0 0 "[ . 1 . 2]" 1
1778 1 100 VAL H 1 100 VAL MG1 . . 4.760 3.081 2.674 3.314 . 0 0 "[ . 1 . 2]" 1
1779 1 100 VAL H 1 100 VAL MG2 . . 3.120 2.311 1.936 2.745 . 0 0 "[ . 1 . 2]" 1
1780 1 100 VAL H 1 101 GLU H . . 5.010 4.390 4.045 4.560 . 0 0 "[ . 1 . 2]" 1
1781 1 100 VAL H 1 106 PHE QD . . 5.500 5.204 4.328 5.588 0.088 17 0 "[ . 1 . 2]" 1
1782 1 100 VAL H 1 108 GLU HA . . 3.840 3.481 3.078 3.724 . 0 0 "[ . 1 . 2]" 1
1783 1 100 VAL H 1 108 GLU QB . . 4.950 4.110 2.774 4.799 . 0 0 "[ . 1 . 2]" 1
1784 1 100 VAL H 1 108 GLU QG . . 5.500 5.079 4.518 5.318 . 0 0 "[ . 1 . 2]" 1
1785 1 100 VAL H 1 109 PHE H . . 5.120 5.106 4.654 5.200 0.080 18 0 "[ . 1 . 2]" 1
1786 1 100 VAL HA 1 100 VAL MG1 . . 3.290 2.316 2.195 2.382 . 0 0 "[ . 1 . 2]" 1
1787 1 100 VAL HA 1 100 VAL MG2 . . 3.640 3.280 3.252 3.315 . 0 0 "[ . 1 . 2]" 1
1788 1 100 VAL HA 1 101 GLU H . . 3.190 2.331 2.157 2.541 . 0 0 "[ . 1 . 2]" 1
1789 1 100 VAL HA 1 101 GLU HA . . 5.010 4.498 4.332 4.566 . 0 0 "[ . 1 . 2]" 1
1790 1 100 VAL HA 1 101 GLU HB3 . . 5.000 4.728 4.100 5.852 0.852 20 2 "[ . 1 . - +]" 1
1791 1 100 VAL HB 1 101 GLU H . . 3.700 2.886 2.404 3.746 0.046 14 0 "[ . 1 . 2]" 1
1792 1 100 VAL MG1 1 101 GLU H . . 4.100 3.816 3.507 4.149 0.049 2 0 "[ . 1 . 2]" 1
1793 1 100 VAL MG1 1 107 ASP H . . 5.500 5.061 4.702 5.570 0.070 1 0 "[ . 1 . 2]" 1
1794 1 100 VAL MG2 1 101 GLU H . . 5.070 3.872 3.449 4.427 . 0 0 "[ . 1 . 2]" 1
1795 1 100 VAL MG2 1 106 PHE HA . . 4.850 3.764 3.172 4.433 . 0 0 "[ . 1 . 2]" 1
1796 1 100 VAL MG2 1 107 ASP H . . 4.210 2.806 2.329 3.244 . 0 0 "[ . 1 . 2]" 1
1797 1 100 VAL MG2 1 107 ASP HB2 . . 4.340 3.620 2.264 4.423 0.083 17 0 "[ . 1 . 2]" 1
1798 1 100 VAL MG2 1 107 ASP HB3 . . 4.300 3.087 2.487 4.012 . 0 0 "[ . 1 . 2]" 1
1799 1 100 VAL MG2 1 108 GLU H . . 5.500 4.945 4.372 5.462 . 0 0 "[ . 1 . 2]" 1
1800 1 100 VAL MG2 1 109 PHE H . . 5.500 5.120 4.113 5.587 0.087 8 0 "[ . 1 . 2]" 1
1801 1 100 VAL MG2 1 109 PHE QE . . 3.690 3.409 2.518 3.817 0.127 5 0 "[ . 1 . 2]" 1
1802 1 101 GLU HA 1 102 ALA H . . 3.290 2.218 2.117 2.327 . 0 0 "[ . 1 . 2]" 1
1803 1 101 GLU HA 1 106 PHE HA . . 3.310 2.304 2.053 2.746 . 0 0 "[ . 1 . 2]" 1
1804 1 101 GLU HA 1 107 ASP H . . 4.390 3.907 3.491 4.444 0.054 6 0 "[ . 1 . 2]" 1
1805 1 101 GLU HB2 1 102 ALA H . . 4.460 3.675 2.466 4.188 . 0 0 "[ . 1 . 2]" 1
1806 1 101 GLU HB2 1 106 PHE HA . . 4.680 4.416 3.916 5.428 0.748 17 1 "[ . 1 . + 2]" 1
1807 1 101 GLU HB2 1 106 PHE QD . . 4.270 4.109 3.106 5.183 0.913 17 2 "[ . 1 . + -]" 1
1808 1 101 GLU HB3 1 102 ALA H . . 4.740 3.846 2.633 4.178 . 0 0 "[ . 1 . 2]" 1
1809 1 101 GLU HB3 1 106 PHE HA . . 5.380 4.819 3.576 5.464 0.084 6 0 "[ . 1 . 2]" 1
1810 1 101 GLU HB3 1 106 PHE QD . . 5.320 4.581 2.467 5.418 0.098 13 0 "[ . 1 . 2]" 1
1811 1 102 ALA H 1 102 ALA MB . . 3.460 2.528 2.299 2.768 . 0 0 "[ . 1 . 2]" 1
1812 1 102 ALA H 1 103 GLY HA2 . . 5.500 4.852 4.439 5.415 . 0 0 "[ . 1 . 2]" 1
1813 1 102 ALA H 1 104 ASN H . . 5.500 4.790 3.945 5.461 . 0 0 "[ . 1 . 2]" 1
1814 1 102 ALA H 1 105 ALA H . . 3.860 3.204 2.818 3.575 . 0 0 "[ . 1 . 2]" 1
1815 1 102 ALA H 1 105 ALA MB . . 4.650 3.847 3.083 4.605 . 0 0 "[ . 1 . 2]" 1
1816 1 102 ALA H 1 106 PHE HA . . 4.150 3.327 2.926 4.042 . 0 0 "[ . 1 . 2]" 1
1817 1 102 ALA H 1 107 ASP H . . 5.500 5.358 4.889 5.567 0.067 10 0 "[ . 1 . 2]" 1
1818 1 102 ALA HA 1 103 GLY H . . 3.520 2.853 2.223 3.351 . 0 0 "[ . 1 . 2]" 1
1819 1 102 ALA MB 1 103 GLY H . . 4.020 3.561 2.001 3.792 . 0 0 "[ . 1 . 2]" 1
1820 1 102 ALA MB 1 105 ALA H . . 5.270 3.581 2.869 4.090 . 0 0 "[ . 1 . 2]" 1
1821 1 103 GLY HA2 1 104 ASN HA . . 4.980 4.579 4.381 4.745 . 0 0 "[ . 1 . 2]" 1
1822 1 103 GLY HA2 1 105 ALA H . . 5.500 4.559 4.143 4.945 . 0 0 "[ . 1 . 2]" 1
1823 1 103 GLY HA3 1 104 ASN H . . 3.520 2.390 2.151 2.718 . 0 0 "[ . 1 . 2]" 1
1824 1 103 GLY HA3 1 105 ALA H . . 4.610 4.176 3.584 4.617 0.007 5 0 "[ . 1 . 2]" 1
1825 1 104 ASN H 1 104 ASN HB3 . . 3.450 3.491 2.784 3.932 0.482 15 0 "[ . 1 . 2]" 1
1826 1 104 ASN H 1 104 ASN HD21 . . 5.430 4.465 2.607 5.254 . 0 0 "[ . 1 . 2]" 1
1827 1 104 ASN H 1 104 ASN HD22 . . 5.500 4.993 3.209 5.584 0.084 2 0 "[ . 1 . 2]" 1
1828 1 104 ASN H 1 105 ALA H . . 3.410 2.670 2.060 3.417 0.007 8 0 "[ . 1 . 2]" 1
1829 1 104 ASN HA 1 104 ASN HD21 . . 3.340 3.050 2.192 3.443 0.103 14 0 "[ . 1 . 2]" 1
1830 1 104 ASN HA 1 104 ASN HD22 . . 5.500 3.897 3.290 4.901 . 0 0 "[ . 1 . 2]" 1
1831 1 104 ASN HB2 1 105 ALA H . . 4.730 3.997 3.301 4.468 . 0 0 "[ . 1 . 2]" 1
1832 1 104 ASN HB3 1 104 ASN HD21 . . 3.600 2.715 2.066 3.605 0.005 11 0 "[ . 1 . 2]" 1
1833 1 104 ASN HB3 1 104 ASN HD22 . . 4.010 3.724 3.434 4.201 0.191 14 0 "[ . 1 . 2]" 1
1834 1 104 ASN HB3 1 105 ALA H . . 4.390 4.206 3.416 4.753 0.363 14 0 "[ . 1 . 2]" 1
1835 1 104 ASN HB3 1 105 ALA MB . . 5.500 4.298 3.312 5.525 0.025 14 0 "[ . 1 . 2]" 1
1836 1 105 ALA H 1 105 ALA MB . . 3.230 2.702 2.316 2.960 . 0 0 "[ . 1 . 2]" 1
1837 1 105 ALA H 1 106 PHE QD . . 5.500 4.458 3.642 5.077 . 0 0 "[ . 1 . 2]" 1
1838 1 105 ALA HA 1 106 PHE H . . 2.800 2.421 2.252 2.557 . 0 0 "[ . 1 . 2]" 1
1839 1 105 ALA HA 1 106 PHE QB . . 4.510 4.476 4.229 4.595 0.085 11 0 "[ . 1 . 2]" 1
1840 1 105 ALA HA 1 106 PHE QD . . 3.540 3.419 2.902 3.624 0.084 16 0 "[ . 1 . 2]" 1
1841 1 105 ALA MB 1 106 PHE H . . 3.840 2.399 2.160 2.668 . 0 0 "[ . 1 . 2]" 1
1842 1 105 ALA MB 1 106 PHE HA . . 4.940 3.860 3.643 4.122 . 0 0 "[ . 1 . 2]" 1
1843 1 105 ALA MB 1 106 PHE QD . . 4.560 4.455 4.097 4.615 0.055 14 0 "[ . 1 . 2]" 1
1844 1 106 PHE H 1 106 PHE QB . . 3.730 3.149 2.672 3.391 . 0 0 "[ . 1 . 2]" 1
1845 1 106 PHE H 1 106 PHE QD . . 4.320 3.178 2.751 3.479 . 0 0 "[ . 1 . 2]" 1
1846 1 106 PHE H 1 106 PHE QE . . 5.500 4.600 4.129 5.321 . 0 0 "[ . 1 . 2]" 1
1847 1 106 PHE H 1 107 ASP H . . 4.850 4.266 3.955 4.387 . 0 0 "[ . 1 . 2]" 1
1848 1 106 PHE HA 1 107 ASP H . . 3.070 2.368 2.121 2.556 . 0 0 "[ . 1 . 2]" 1
1849 1 106 PHE QB 1 107 ASP H . . 3.490 2.659 2.262 3.509 0.019 8 0 "[ . 1 . 2]" 1
1850 1 106 PHE QB 1 108 GLU H . . 5.500 5.178 4.131 5.593 0.093 9 0 "[ . 1 . 2]" 1
1851 1 106 PHE QD 1 107 ASP H . . 4.930 4.004 3.259 4.839 . 0 0 "[ . 1 . 2]" 1
1852 1 107 ASP H 1 108 GLU H . . 4.570 4.205 3.554 4.376 . 0 0 "[ . 1 . 2]" 1
1853 1 107 ASP HA 1 108 GLU H . . 2.920 2.324 2.140 2.451 . 0 0 "[ . 1 . 2]" 1
1854 1 107 ASP HB2 1 108 GLU H . . 4.640 4.267 3.898 4.706 0.066 15 0 "[ . 1 . 2]" 1
1855 1 107 ASP HB2 1 109 PHE QE . . 5.160 4.662 3.869 5.246 0.086 5 0 "[ . 1 . 2]" 1
1856 1 107 ASP HB3 1 108 GLU H . . 4.130 3.608 2.886 4.216 0.086 6 0 "[ . 1 . 2]" 1
1857 1 107 ASP HB3 1 109 PHE QE . . 5.110 3.438 2.453 4.238 . 0 0 "[ . 1 . 2]" 1
1858 1 107 ASP HB3 1 109 PHE HZ . . 4.590 3.417 2.384 4.268 . 0 0 "[ . 1 . 2]" 1
1859 1 108 GLU H 1 108 GLU QB . . 3.470 2.645 2.301 3.264 . 0 0 "[ . 1 . 2]" 1
1860 1 108 GLU H 1 108 GLU QG . . 4.730 3.897 2.150 4.317 . 0 0 "[ . 1 . 2]" 1
1861 1 108 GLU H 1 109 PHE H . . 4.940 4.305 3.916 4.600 . 0 0 "[ . 1 . 2]" 1
1862 1 108 GLU HA 1 109 PHE H . . 2.950 2.193 2.045 2.430 . 0 0 "[ . 1 . 2]" 1
1863 1 108 GLU QB 1 109 PHE H . . 3.950 3.510 2.455 3.918 . 0 0 "[ . 1 . 2]" 1
1864 1 108 GLU QG 1 109 PHE H . . 4.340 2.783 2.259 3.649 . 0 0 "[ . 1 . 2]" 1
1865 1 109 PHE H 1 109 PHE HB2 . . 4.010 2.687 2.447 2.897 . 0 0 "[ . 1 . 2]" 1
1866 1 109 PHE H 1 109 PHE HB3 . . 3.960 3.789 3.627 3.887 . 0 0 "[ . 1 . 2]" 1
1867 1 109 PHE H 1 109 PHE QD . . 3.810 3.407 2.483 3.661 . 0 0 "[ . 1 . 2]" 1
1868 1 109 PHE H 1 110 LYS HA . . 5.500 4.826 4.619 5.128 . 0 0 "[ . 1 . 2]" 1
1869 1 109 PHE H 1 111 PHE QE . . 5.500 4.761 3.954 5.577 0.077 9 0 "[ . 1 . 2]" 1
1870 1 109 PHE HA 1 109 PHE QD . . 3.360 2.442 2.196 2.946 . 0 0 "[ . 1 . 2]" 1
1871 1 109 PHE HA 1 110 LYS H . . 2.950 2.159 2.057 2.238 . 0 0 "[ . 1 . 2]" 1
1872 1 109 PHE HA 1 110 LYS QB . . 4.430 4.093 3.635 4.457 0.027 16 0 "[ . 1 . 2]" 1
1873 1 109 PHE HB2 1 110 LYS H . . 4.400 4.211 3.836 4.439 0.039 5 0 "[ . 1 . 2]" 1
1874 1 109 PHE HB2 1 111 PHE QE . . 4.310 2.481 2.127 3.189 . 0 0 "[ . 1 . 2]" 1
1875 1 109 PHE HB3 1 110 LYS H . . 4.800 3.445 2.909 3.907 . 0 0 "[ . 1 . 2]" 1
1876 1 109 PHE HB3 1 110 LYS HA . . 5.380 5.011 4.703 5.237 . 0 0 "[ . 1 . 2]" 1
1877 1 109 PHE HB3 1 111 PHE QE . . 4.340 3.076 2.479 4.370 0.030 11 0 "[ . 1 . 2]" 1
1878 1 109 PHE QD 1 110 LYS H . . 4.590 4.173 3.897 4.400 . 0 0 "[ . 1 . 2]" 1
1879 1 109 PHE QD 1 111 PHE QE . . 4.070 3.628 3.079 4.162 0.092 3 0 "[ . 1 . 2]" 1
1880 1 110 LYS H 1 110 LYS QB . . 3.450 2.308 2.102 2.641 . 0 0 "[ . 1 . 2]" 1
1881 1 110 LYS H 1 111 PHE QD . . 5.500 4.777 4.178 5.328 . 0 0 "[ . 1 . 2]" 1
1882 1 110 LYS HA 1 110 LYS QD . . 3.820 3.335 2.585 3.932 0.112 8 0 "[ . 1 . 2]" 1
1883 1 110 LYS HA 1 110 LYS QG . . 3.700 2.303 2.069 2.540 . 0 0 "[ . 1 . 2]" 1
1884 1 110 LYS HA 1 111 PHE H . . 3.290 2.238 2.129 2.321 . 0 0 "[ . 1 . 2]" 1
1885 1 110 LYS QB 1 111 PHE H . . 4.190 3.556 2.660 4.104 . 0 0 "[ . 1 . 2]" 1
1886 1 110 LYS QG 1 111 PHE H . . 4.390 3.680 2.333 4.277 . 0 0 "[ . 1 . 2]" 1
1887 1 111 PHE H 1 111 PHE HB2 . . 3.850 2.465 2.209 2.729 . 0 0 "[ . 1 . 2]" 1
1888 1 111 PHE H 1 111 PHE HB3 . . 4.060 3.651 3.511 3.787 . 0 0 "[ . 1 . 2]" 1
1889 1 111 PHE H 1 111 PHE QD . . 3.020 2.795 2.352 3.090 0.070 16 0 "[ . 1 . 2]" 1
1890 1 111 PHE H 1 111 PHE QE . . 5.200 4.990 4.549 5.295 0.095 18 0 "[ . 1 . 2]" 1
1891 1 111 PHE HA 1 111 PHE QD . . 3.200 3.096 2.740 3.247 0.047 8 0 "[ . 1 . 2]" 1
1892 1 111 PHE HA 1 112 VAL H . . 2.990 2.306 2.158 2.438 . 0 0 "[ . 1 . 2]" 1
1893 1 111 PHE HA 1 112 VAL QG . . 3.390 3.372 3.246 3.460 0.070 8 0 "[ . 1 . 2]" 1
1894 1 111 PHE HB2 1 112 VAL H . . 4.890 4.139 3.818 4.578 . 0 0 "[ . 1 . 2]" 1
1895 1 111 PHE HB2 1 112 VAL QG . . 5.500 4.945 4.471 5.299 . 0 0 "[ . 1 . 2]" 1
1896 1 111 PHE QD 1 112 VAL H . . 5.100 4.025 3.413 4.884 . 0 0 "[ . 1 . 2]" 1
1897 1 112 VAL H 1 112 VAL HB . . 3.430 3.215 2.670 3.539 0.109 16 0 "[ . 1 . 2]" 1
1898 1 112 VAL H 1 112 VAL QG . . 3.240 2.415 1.973 2.874 . 0 0 "[ . 1 . 2]" 1
1899 1 112 VAL H 1 113 GLN H . . 4.830 4.182 3.848 4.469 . 0 0 "[ . 1 . 2]" 1
1900 1 112 VAL HA 1 113 GLN H . . 3.030 2.212 2.075 2.365 . 0 0 "[ . 1 . 2]" 1
1901 1 112 VAL HA 1 113 GLN QB . . 4.710 4.096 3.812 4.267 . 0 0 "[ . 1 . 2]" 1
1902 1 112 VAL HB 1 113 GLN H . . 4.580 3.985 2.758 4.452 . 0 0 "[ . 1 . 2]" 1
1903 1 112 VAL QG 1 113 GLN H . . 3.500 2.975 2.635 3.405 . 0 0 "[ . 1 . 2]" 1
1904 1 113 GLN H 1 113 GLN QB . . 3.840 2.424 2.206 2.640 . 0 0 "[ . 1 . 2]" 1
1905 1 113 GLN H 1 113 GLN QG . . 5.020 3.971 3.842 4.104 . 0 0 "[ . 1 . 2]" 1
1906 1 113 GLN H 1 114 ASP H . . 4.980 4.336 4.132 4.539 . 0 0 "[ . 1 . 2]" 1
1907 1 113 GLN HA 1 113 GLN HE21 . . 5.310 4.307 3.580 5.176 . 0 0 "[ . 1 . 2]" 1
1908 1 113 GLN HA 1 114 ASP H . . 3.070 2.085 1.997 2.260 . 0 0 "[ . 1 . 2]" 1
1909 1 113 GLN HA 1 114 ASP HA . . 5.170 4.381 4.246 4.488 . 0 0 "[ . 1 . 2]" 1
1910 1 113 GLN HA 1 114 ASP HB2 . . 4.300 4.285 4.112 4.459 0.159 8 0 "[ . 1 . 2]" 1
1911 1 113 GLN QB 1 114 ASP H . . 4.470 3.729 3.444 3.933 . 0 0 "[ . 1 . 2]" 1
1912 1 113 GLN HE21 1 114 ASP H . . 5.500 4.685 4.214 5.428 . 0 0 "[ . 1 . 2]" 1
1913 1 113 GLN QG 1 114 ASP H . . 3.910 2.591 2.242 2.988 . 0 0 "[ . 1 . 2]" 1
1914 1 114 ASP H 1 114 ASP HB2 . . 3.340 2.270 2.120 2.497 . 0 0 "[ . 1 . 2]" 1
1915 1 114 ASP H 1 114 ASP HB3 . . 3.570 3.356 2.320 3.648 0.078 16 0 "[ . 1 . 2]" 1
1916 1 114 ASP HA 1 115 ALA H . . 2.670 2.392 2.278 2.557 . 0 0 "[ . 1 . 2]" 1
1917 1 114 ASP HA 1 115 ALA HA . . 5.010 4.435 4.333 4.507 . 0 0 "[ . 1 . 2]" 1
1918 1 114 ASP HA 1 115 ALA MB . . 3.950 4.014 3.887 4.051 0.101 20 0 "[ . 1 . 2]" 1
1919 1 114 ASP HB2 1 115 ALA H . . 3.850 3.806 3.558 3.921 0.071 17 0 "[ . 1 . 2]" 1
1920 1 114 ASP HB2 1 115 ALA MB . . 5.500 5.267 5.080 5.443 . 0 0 "[ . 1 . 2]" 1
1921 1 114 ASP HB3 1 115 ALA H . . 3.470 2.600 2.291 3.577 0.107 8 0 "[ . 1 . 2]" 1
1922 1 115 ALA H 1 115 ALA MB . . 2.690 2.182 2.140 2.286 . 0 0 "[ . 1 . 2]" 1
1923 1 115 ALA HA 1 116 ALA H . . 2.790 2.266 2.230 2.309 . 0 0 "[ . 1 . 2]" 1
1924 1 115 ALA HA 1 116 ALA MB . . 3.970 4.041 3.924 4.071 0.101 6 0 "[ . 1 . 2]" 1
1925 1 115 ALA MB 1 116 ALA H . . 3.540 2.699 2.470 2.939 . 0 0 "[ . 1 . 2]" 1
1926 1 115 ALA MB 1 116 ALA HA . . 5.020 4.212 4.094 4.383 . 0 0 "[ . 1 . 2]" 1
1927 1 115 ALA MB 1 117 LYS H . . 4.900 4.783 4.059 5.012 0.112 19 0 "[ . 1 . 2]" 1
1928 1 116 ALA H 1 116 ALA MB . . 2.800 2.249 2.196 2.335 . 0 0 "[ . 1 . 2]" 1
1929 1 116 ALA H 1 117 LYS H . . 4.640 4.473 4.106 4.646 0.006 6 0 "[ . 1 . 2]" 1
1930 1 116 ALA HA 1 117 LYS H . . 2.590 2.164 2.002 2.322 . 0 0 "[ . 1 . 2]" 1
1931 1 116 ALA HA 1 117 LYS HA . . 4.390 4.444 4.397 4.466 0.076 6 0 "[ . 1 . 2]" 1
1932 1 116 ALA HA 1 117 LYS HB2 . . 4.340 4.353 4.181 4.416 0.076 4 0 "[ . 1 . 2]" 1
1933 1 116 ALA MB 1 117 LYS H . . 3.190 3.002 2.665 3.289 0.099 11 0 "[ . 1 . 2]" 1
1934 1 116 ALA MB 1 117 LYS HA . . 5.030 4.211 3.879 4.510 . 0 0 "[ . 1 . 2]" 1
1935 1 116 ALA MB 1 117 LYS HB2 . . 5.150 5.071 4.874 5.256 0.106 2 0 "[ . 1 . 2]" 1
1936 1 116 ALA MB 1 118 GLN H . . 4.850 3.464 2.662 4.042 . 0 0 "[ . 1 . 2]" 1
1937 1 116 ALA MB 1 118 GLN HA . . 5.370 4.926 4.209 5.436 0.066 8 0 "[ . 1 . 2]" 1
1938 1 116 ALA MB 1 118 GLN HE22 . . 5.500 4.376 2.638 5.586 0.086 7 0 "[ . 1 . 2]" 1
1939 1 117 LYS H 1 117 LYS HB2 . . 3.130 2.763 2.456 3.156 0.026 4 0 "[ . 1 . 2]" 1
1940 1 117 LYS H 1 117 LYS HB3 . . 3.200 2.726 2.466 3.055 . 0 0 "[ . 1 . 2]" 1
1941 1 117 LYS H 1 117 LYS QG . . 4.040 4.050 3.980 4.125 0.085 6 0 "[ . 1 . 2]" 1
1942 1 117 LYS H 1 118 GLN H . . 3.790 3.599 2.702 3.868 0.078 19 0 "[ . 1 . 2]" 1
1943 1 117 LYS H 1 118 GLN QG . . 5.500 3.511 2.422 4.489 . 0 0 "[ . 1 . 2]" 1
1944 1 117 LYS HA 1 117 LYS QD . . 4.180 3.959 3.629 4.200 0.020 3 0 "[ . 1 . 2]" 1
1945 1 117 LYS HA 1 117 LYS QG . . 3.480 2.284 2.147 2.445 . 0 0 "[ . 1 . 2]" 1
1946 1 117 LYS HA 1 118 GLN H . . 2.500 2.374 2.118 2.578 0.078 1 0 "[ . 1 . 2]" 1
1947 1 117 LYS HA 1 118 GLN QG . . 5.180 4.294 4.016 4.783 . 0 0 "[ . 1 . 2]" 1
1948 1 117 LYS HB2 1 118 GLN H . . 4.670 4.615 4.513 4.720 0.050 9 0 "[ . 1 . 2]" 1
1949 1 117 LYS HB3 1 118 GLN H . . 4.480 4.467 4.362 4.548 0.068 20 0 "[ . 1 . 2]" 1
1950 1 117 LYS QE 1 117 LYS QG . . 3.420 2.243 2.073 2.518 . 0 0 "[ . 1 . 2]" 1
1951 1 117 LYS QG 1 118 GLN H . . 4.250 3.885 3.373 4.289 0.039 1 0 "[ . 1 . 2]" 1
1952 1 118 GLN H 1 118 GLN HB2 . . 3.300 2.971 2.237 3.885 0.585 18 3 "[ . *1- . + 2]" 1
1953 1 118 GLN H 1 118 GLN HB3 . . 3.820 3.600 2.897 3.875 0.055 7 0 "[ . 1 . 2]" 1
1954 1 118 GLN H 1 118 GLN QG . . 3.980 2.775 1.966 3.419 . 0 0 "[ . 1 . 2]" 1
1955 1 118 GLN HA 1 118 GLN QG . . 3.690 2.796 2.337 3.549 . 0 0 "[ . 1 . 2]" 1
1956 1 118 GLN HB2 1 118 GLN QG . . 2.790 2.359 2.172 2.551 . 0 0 "[ . 1 . 2]" 1
1957 1 118 GLN HB3 1 118 GLN QG . . 2.420 2.357 2.113 2.468 0.048 20 0 "[ . 1 . 2]" 1
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