NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
402902 |
1wi2   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1wi2
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 999
_Distance_constraint_stats_list.Viol_count 2264
_Distance_constraint_stats_list.Viol_total 16867.975
_Distance_constraint_stats_list.Viol_max 6.516
_Distance_constraint_stats_list.Viol_rms 0.2289
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0422
_Distance_constraint_stats_list.Viol_average_violations_only 0.3725
_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 9 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 GLU 1.413 0.309 19 0 "[ . 1 . 2]"
1 11 LEU 2.634 0.677 10 2 "[ . + - . 2]"
1 12 THR 1.247 0.179 10 0 "[ . 1 . 2]"
1 13 GLN 9.055 1.040 1 4 "[+ . * - . *]"
1 14 PHE 6.640 1.040 1 4 "[+ . * - . *]"
1 15 LEU 2.680 0.463 9 0 "[ . 1 . 2]"
1 16 PRO 27.781 3.045 17 14 "[ -* * * *******+**2]"
1 17 ARG 54.370 1.616 11 20 [**********+******-**]
1 18 ILE 44.901 1.616 11 20 [-*********+*********]
1 19 VAL 19.362 1.168 10 8 "[ .*- *+* * . * *]"
1 20 THR 46.287 2.240 19 20 [*****************-+*]
1 21 LEU 48.712 2.240 19 20 [********-*********+*]
1 22 LYS 2.302 0.407 6 0 "[ . 1 . 2]"
1 23 LYS 22.772 0.984 7 13 "[****.*+* **** .* *]"
1 24 PRO 53.941 1.544 13 20 [******-*****+*******]
1 25 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 ALA 44.662 1.544 13 20 [************+******-]
1 28 GLN 3.365 0.464 1 0 "[ . 1 . 2]"
1 29 LEU 33.217 1.240 17 19 "[************ ***+*-*]"
1 30 GLY 18.778 1.240 17 15 "[****.*** *** *-+**2]"
1 31 PHE 18.324 1.723 7 13 "[ **+**** *** - **]"
1 32 ASN 42.303 2.387 17 20 [****-***********+***]
1 33 ILE 0.833 0.109 15 0 "[ . 1 . 2]"
1 34 ARG 12.132 0.922 16 9 "[ ** * -* *.+** 2]"
1 35 GLY 16.730 1.071 19 18 "[ *********** *-***+*]"
1 36 GLY 16.546 1.071 19 18 "[ *********** *-***+*]"
1 37 LYS 2.621 0.287 14 0 "[ . 1 . 2]"
1 38 ALA 1.181 0.216 4 0 "[ . 1 . 2]"
1 39 SER 0.785 0.216 4 0 "[ . 1 . 2]"
1 40 GLN 5.054 1.016 2 4 "[*+ . *1 . - 2]"
1 41 LEU 14.510 1.818 4 12 "[ +****** ** *-*2]"
1 42 GLY 0.564 0.156 7 0 "[ . 1 . 2]"
1 43 ILE 15.039 1.818 4 12 "[ +****** ** *-*2]"
1 44 PHE 25.981 0.887 4 10 "[ +-* *** * ** *2]"
1 45 ILE 14.557 0.653 15 2 "[ . - 1 + 2]"
1 46 SER 9.891 0.922 16 9 "[ ** * -* *.+** 2]"
1 47 LYS 53.319 2.387 17 20 [****-***********+***]
1 48 VAL 27.511 0.912 19 19 "[-***** ***********+*]"
1 49 ILE 17.232 1.723 7 11 "[ * **+* ** -* * *2]"
1 50 PRO 6.317 0.289 13 0 "[ . 1 . 2]"
1 51 ASP 5.912 0.200 10 0 "[ . 1 . 2]"
1 52 SER 9.709 0.618 3 7 "[* + .** 1 * . * -]"
1 53 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 54 ALA 9.482 0.618 3 7 "[* + .** 1 * . * -]"
1 55 HIS 12.891 0.556 13 17 "[-***.* **1**+*******]"
1 56 ARG 3.560 0.273 8 0 "[ . 1 . 2]"
1 57 ALA 4.507 0.304 13 0 "[ . 1 . 2]"
1 58 GLY 4.258 0.304 13 0 "[ . 1 . 2]"
1 59 LEU 12.569 1.046 8 13 "[* ****-+ ** .* ***]"
1 60 GLN 2.076 0.258 10 0 "[ . 1 . 2]"
1 61 GLU 8.585 0.354 9 0 "[ . 1 . 2]"
1 62 GLY 0.058 0.020 5 0 "[ . 1 . 2]"
1 63 ASP 0.721 0.128 18 0 "[ . 1 . 2]"
1 64 GLN 21.448 0.887 4 12 "[* +-* *** * ** **2]"
1 65 VAL 12.670 0.625 6 2 "[ .+ 1- . 2]"
1 66 LEU 15.675 1.209 12 9 "[ - .* * **+ ** * 2]"
1 67 ALA 18.226 1.320 20 18 "[***** *********-* *+]"
1 68 VAL 31.200 1.723 12 20 [***********+***-****]
1 69 ASN 0.343 0.205 16 0 "[ . 1 . 2]"
1 70 ASP 46.738 1.723 12 19 "[***********+*** ***-]"
1 71 VAL 27.909 1.374 17 15 "[* *** ******-** + *2]"
1 72 ASP 3.834 0.403 16 0 "[ . 1 . 2]"
1 73 PHE 21.727 1.557 20 18 "[***** *********-* *+]"
1 74 GLN 20.500 0.802 5 9 "[* - + * * *** * 2]"
1 75 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 76 ILE 14.295 1.237 8 10 "[ *.* +** *.***-2]"
1 77 GLU 20.327 1.237 8 11 "[ - *.* +** * *.*** 2]"
1 78 HIS 5.728 0.583 12 3 "[ - .* 1 + . 2]"
1 79 SER 1.420 0.250 12 0 "[ . 1 . 2]"
1 80 LYS 2.343 0.938 4 2 "[ +. 1 . -2]"
1 81 ALA 1.655 0.104 20 0 "[ . 1 . 2]"
1 82 VAL 11.547 0.543 2 18 "[*+*-**********. ****]"
1 83 GLU 1.619 0.416 11 0 "[ . 1 . 2]"
1 84 ILE 3.175 0.473 20 0 "[ . 1 . 2]"
1 85 LEU 0.595 0.205 2 0 "[ . 1 . 2]"
1 86 LYS 1.966 0.543 2 1 "[ + . 1 . 2]"
1 87 THR 1.097 0.416 11 0 "[ . 1 . 2]"
1 88 ALA 0.386 0.085 18 0 "[ . 1 . 2]"
1 89 ARG 13.787 0.928 18 11 "[ * *-** * * *. *+ *]"
1 90 GLU 33.201 1.487 9 18 "[*** *-**+****** ****]"
1 91 ILE 35.397 1.317 13 15 "[* * .***-* *+ ******]"
1 92 SER 3.603 0.352 19 0 "[ . 1 . 2]"
1 93 MET 40.663 1.317 13 20 [************+******-]
1 94 ARG 25.989 1.006 10 20 [-********+**********]
1 95 VAL 45.642 1.140 12 20 [***********+*****-**]
1 96 ARG 114.066 6.516 20 20 [*-*****************+]
1 97 PHE 82.507 6.516 20 19 "[- *****************+]"
1 98 PHE 19.884 1.536 9 14 "[**-** *+** ** ***]"
1 99 SER 18.378 1.536 9 14 "[**-** *+** ** ***]"
1 100 GLY 0.397 0.129 15 0 "[ . 1 . 2]"
1 101 PRO 0.087 0.072 17 0 "[ . 1 . 2]"
1 102 SER 0.005 0.003 4 0 "[ . 1 . 2]"
1 103 SER 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 9 ASN HB3 1 10 GLU H . . 4.560 3.064 2.374 4.227 . 0 0 "[ . 1 . 2]" 1
2 1 10 GLU H 1 10 GLU HB3 . . 3.780 3.612 2.669 4.089 0.309 19 0 "[ . 1 . 2]" 1
3 1 10 GLU H 1 11 LEU H . . 4.050 3.525 2.370 4.106 0.056 11 0 "[ . 1 . 2]" 1
4 1 10 GLU HA 1 11 LEU H . . 3.270 2.457 2.202 3.114 . 0 0 "[ . 1 . 2]" 1
5 1 11 LEU H 1 11 LEU HB3 . . 4.070 3.672 3.376 3.993 . 0 0 "[ . 1 . 2]" 1
6 1 11 LEU H 1 11 LEU HG . . 3.550 2.954 2.245 3.433 . 0 0 "[ . 1 . 2]" 1
7 1 11 LEU H 1 12 THR H . . 3.340 3.246 2.951 3.355 0.015 13 0 "[ . 1 . 2]" 1
8 1 11 LEU HA 1 11 LEU MD2 . . 3.410 2.874 2.055 4.087 0.677 10 2 "[ . + - . 2]" 1
9 1 11 LEU HA 1 12 THR H . . 3.280 2.490 2.264 2.891 . 0 0 "[ . 1 . 2]" 1
10 1 11 LEU HB3 1 11 LEU MD2 . . 3.200 2.178 1.977 2.359 . 0 0 "[ . 1 . 2]" 1
11 1 11 LEU HB3 1 12 THR H . . 4.470 4.459 4.205 4.649 0.179 10 0 "[ . 1 . 2]" 1
12 1 12 THR H 1 12 THR HB . . 3.790 2.870 2.238 3.806 0.016 13 0 "[ . 1 . 2]" 1
13 1 12 THR H 1 12 THR MG . . 3.790 2.667 1.942 3.817 0.027 3 0 "[ . 1 . 2]" 1
14 1 12 THR HA 1 12 THR MG . . 3.290 2.837 2.386 3.245 . 0 0 "[ . 1 . 2]" 1
15 1 12 THR HA 1 13 GLN H . . 3.080 2.271 2.149 2.562 . 0 0 "[ . 1 . 2]" 1
16 1 12 THR HA 1 15 LEU QD . . 3.740 2.470 1.852 3.673 . 0 0 "[ . 1 . 2]" 1
17 1 12 THR HA 1 15 LEU HG . . 3.740 3.349 2.859 3.783 0.043 10 0 "[ . 1 . 2]" 1
18 1 12 THR HB 1 13 GLN H . . 4.720 3.914 2.352 4.639 . 0 0 "[ . 1 . 2]" 1
19 1 12 THR MG 1 13 GLN H . . 4.310 3.574 2.088 4.264 . 0 0 "[ . 1 . 2]" 1
20 1 13 GLN H 1 13 GLN HB3 . . 3.340 3.457 2.870 3.814 0.474 18 0 "[ . 1 . 2]" 1
21 1 13 GLN H 1 14 PHE HA . . 3.940 4.015 3.932 4.229 0.289 10 0 "[ . 1 . 2]" 1
22 1 13 GLN HA 1 15 LEU H . . 4.950 4.827 4.529 4.973 0.023 1 0 "[ . 1 . 2]" 1
23 1 13 GLN HB3 1 14 PHE H . . 4.070 3.458 2.656 4.101 0.031 9 0 "[ . 1 . 2]" 1
24 1 13 GLN HG3 1 14 PHE QD . . 4.470 3.390 2.003 5.510 1.040 1 4 "[+ . * - . *]" 1
25 1 14 PHE H 1 14 PHE HB3 . . 3.580 3.578 3.300 3.705 0.125 12 0 "[ . 1 . 2]" 1
26 1 14 PHE H 1 14 PHE QD . . 4.020 3.583 2.697 3.995 . 0 0 "[ . 1 . 2]" 1
27 1 14 PHE HA 1 14 PHE QD . . 3.800 3.137 2.622 3.747 . 0 0 "[ . 1 . 2]" 1
28 1 14 PHE HA 1 15 LEU H . . 3.300 2.951 2.730 3.336 0.036 10 0 "[ . 1 . 2]" 1
29 1 14 PHE HB3 1 15 LEU H . . 4.580 4.426 4.184 4.680 0.100 1 0 "[ . 1 . 2]" 1
30 1 14 PHE QD 1 15 LEU H . . 5.230 4.610 3.125 5.056 . 0 0 "[ . 1 . 2]" 1
31 1 15 LEU H 1 15 LEU HB3 . . 3.800 3.355 2.303 4.022 0.222 10 0 "[ . 1 . 2]" 1
32 1 15 LEU H 1 15 LEU QD . . 4.230 3.197 1.941 3.519 . 0 0 "[ . 1 . 2]" 1
33 1 15 LEU H 1 15 LEU HG . . 3.540 2.679 2.186 3.494 . 0 0 "[ . 1 . 2]" 1
34 1 15 LEU H 1 16 PRO HD3 . . 5.150 4.723 4.326 4.801 . 0 0 "[ . 1 . 2]" 1
35 1 15 LEU HA 1 15 LEU QD . . 3.090 2.275 1.953 3.050 . 0 0 "[ . 1 . 2]" 1
36 1 15 LEU HA 1 16 PRO HD3 . . 2.970 2.003 1.928 2.132 . 0 0 "[ . 1 . 2]" 1
37 1 15 LEU HB3 1 15 LEU QD . . 3.150 2.133 1.998 2.234 . 0 0 "[ . 1 . 2]" 1
38 1 15 LEU HB3 1 16 PRO HD3 . . 3.900 3.370 2.992 4.363 0.463 9 0 "[ . 1 . 2]" 1
39 1 15 LEU QD 1 16 PRO HD3 . . 3.700 2.670 2.003 3.355 . 0 0 "[ . 1 . 2]" 1
40 1 16 PRO HA 1 17 ARG H . . 3.330 2.479 2.166 2.780 . 0 0 "[ . 1 . 2]" 1
41 1 16 PRO HA 1 66 LEU QD . . 4.340 4.163 3.791 4.315 . 0 0 "[ . 1 . 2]" 1
42 1 16 PRO HB3 1 17 ARG H . . 3.620 3.426 3.100 3.930 0.310 1 0 "[ . 1 . 2]" 1
43 1 16 PRO HB3 1 66 LEU QD . . 3.940 2.437 2.154 2.645 . 0 0 "[ . 1 . 2]" 1
44 1 16 PRO HG3 1 66 LEU QD . . 3.850 3.092 2.549 3.447 . 0 0 "[ . 1 . 2]" 1
45 1 16 PRO HG3 1 96 ARG HD3 . . 3.650 4.828 3.012 6.695 3.045 17 14 "[ -* * * *******+**2]" 1
46 1 17 ARG H 1 17 ARG HB3 . . 3.830 3.134 2.597 3.480 . 0 0 "[ . 1 . 2]" 1
47 1 17 ARG H 1 17 ARG HD3 . . 4.400 3.844 2.547 4.806 0.406 7 0 "[ . 1 . 2]" 1
48 1 17 ARG H 1 17 ARG HG3 . . 4.200 3.408 2.873 3.611 . 0 0 "[ . 1 . 2]" 1
49 1 17 ARG H 1 18 ILE H . . 3.000 4.499 4.402 4.616 1.616 11 20 [**-*******+*********] 1
50 1 17 ARG HA 1 17 ARG HG3 . . 3.890 4.036 3.829 4.221 0.331 13 0 "[ . 1 . 2]" 1
51 1 17 ARG HB3 1 17 ARG HE . . 4.270 3.317 1.997 4.393 0.123 1 0 "[ . 1 . 2]" 1
52 1 17 ARG HB3 1 18 ILE H . . 3.630 3.797 3.730 3.963 0.333 10 0 "[ . 1 . 2]" 1
53 1 17 ARG HB3 1 95 VAL QG . . 3.780 4.246 4.008 4.447 0.667 13 10 "[ **** * * + ** - 2]" 1
54 1 17 ARG HD3 1 95 VAL QG . . 4.180 3.201 2.479 4.047 . 0 0 "[ . 1 . 2]" 1
55 1 17 ARG HE 1 19 VAL QG . . 4.520 4.227 2.310 5.688 1.168 10 7 "[ .*- *+* * . * 2]" 1
56 1 17 ARG HE 1 95 VAL QG . . 5.160 3.483 2.064 4.939 . 0 0 "[ . 1 . 2]" 1
57 1 17 ARG HG3 1 95 VAL QG . . 3.650 2.033 1.852 2.466 . 0 0 "[ . 1 . 2]" 1
58 1 18 ILE H 1 18 ILE HB . . 3.150 2.450 2.284 2.818 . 0 0 "[ . 1 . 2]" 1
59 1 18 ILE H 1 18 ILE MD . . 4.170 3.970 2.280 4.239 0.069 11 0 "[ . 1 . 2]" 1
60 1 18 ILE H 1 18 ILE HG13 . . 4.060 3.862 3.404 4.205 0.145 10 0 "[ . 1 . 2]" 1
61 1 18 ILE H 1 18 ILE MG . . 4.010 3.717 3.572 3.878 . 0 0 "[ . 1 . 2]" 1
62 1 18 ILE H 1 19 VAL H . . 4.700 4.324 4.134 4.560 . 0 0 "[ . 1 . 2]" 1
63 1 18 ILE HA 1 18 ILE MD . . 3.590 2.284 1.910 2.712 . 0 0 "[ . 1 . 2]" 1
64 1 18 ILE HA 1 18 ILE HG13 . . 4.090 3.645 2.549 3.911 . 0 0 "[ . 1 . 2]" 1
65 1 18 ILE HA 1 18 ILE MG . . 3.250 2.452 2.107 2.603 . 0 0 "[ . 1 . 2]" 1
66 1 18 ILE HA 1 19 VAL H . . 2.980 2.205 2.176 2.354 . 0 0 "[ . 1 . 2]" 1
67 1 18 ILE HA 1 19 VAL QG . . 4.530 3.578 3.150 3.854 . 0 0 "[ . 1 . 2]" 1
68 1 18 ILE HA 1 94 ARG HA . . 3.740 2.543 2.227 2.884 . 0 0 "[ . 1 . 2]" 1
69 1 18 ILE HA 1 95 VAL H . . 4.430 3.497 2.938 3.976 . 0 0 "[ . 1 . 2]" 1
70 1 18 ILE HB 1 18 ILE MD . . 3.530 3.126 2.440 3.205 . 0 0 "[ . 1 . 2]" 1
71 1 18 ILE HB 1 19 VAL H . . 4.560 4.400 4.000 4.576 0.016 19 0 "[ . 1 . 2]" 1
72 1 18 ILE MD 1 19 VAL H . . 4.200 3.689 2.871 4.201 0.001 1 0 "[ . 1 . 2]" 1
73 1 18 ILE MD 1 94 ARG H . . 4.900 4.066 3.477 4.949 0.049 10 0 "[ . 1 . 2]" 1
74 1 18 ILE MD 1 94 ARG HA . . 3.770 2.710 1.990 3.142 . 0 0 "[ . 1 . 2]" 1
75 1 18 ILE MD 1 94 ARG HB3 . . 3.680 4.051 3.463 4.359 0.679 10 6 "[- .** +* . * 2]" 1
76 1 18 ILE MD 1 94 ARG HG3 . . 3.740 1.902 1.810 1.988 . 0 0 "[ . 1 . 2]" 1
77 1 18 ILE HG13 1 18 ILE MG . . 3.190 2.582 2.320 2.824 . 0 0 "[ . 1 . 2]" 1
78 1 18 ILE HG13 1 19 VAL H . . 5.500 5.525 4.197 5.847 0.347 1 0 "[ . 1 . 2]" 1
79 1 18 ILE MG 1 19 VAL H . . 3.440 2.855 1.927 3.314 . 0 0 "[ . 1 . 2]" 1
80 1 18 ILE MG 1 19 VAL HA . . 4.430 3.874 3.360 4.477 0.047 1 0 "[ . 1 . 2]" 1
81 1 18 ILE MG 1 92 SER HB3 . . 4.570 3.914 3.246 4.634 0.064 3 0 "[ . 1 . 2]" 1
82 1 18 ILE MG 1 93 MET H . . 4.120 4.014 3.617 4.157 0.037 17 0 "[ . 1 . 2]" 1
83 1 18 ILE MG 1 94 ARG HA . . 4.370 3.975 3.207 4.290 . 0 0 "[ . 1 . 2]" 1
84 1 19 VAL H 1 19 VAL HB . . 3.510 2.439 2.235 2.765 . 0 0 "[ . 1 . 2]" 1
85 1 19 VAL H 1 19 VAL QG . . 3.460 2.531 2.063 2.892 . 0 0 "[ . 1 . 2]" 1
86 1 19 VAL H 1 20 THR H . . 5.250 4.087 3.766 4.257 . 0 0 "[ . 1 . 2]" 1
87 1 19 VAL H 1 93 MET H . . 3.930 3.786 3.434 3.950 0.020 8 0 "[ . 1 . 2]" 1
88 1 19 VAL H 1 94 ARG HA . . 4.270 3.449 3.096 3.715 . 0 0 "[ . 1 . 2]" 1
89 1 19 VAL HA 1 19 VAL HB . . 2.700 3.021 3.008 3.025 0.325 11 0 "[ . 1 . 2]" 1
90 1 19 VAL HA 1 19 VAL QG . . 2.970 2.129 2.061 2.176 . 0 0 "[ . 1 . 2]" 1
91 1 19 VAL HA 1 20 THR H . . 2.880 2.244 2.209 2.253 . 0 0 "[ . 1 . 2]" 1
92 1 19 VAL HB 1 20 THR H . . 4.590 4.549 4.468 4.616 0.026 14 0 "[ . 1 . 2]" 1
93 1 19 VAL HB 1 59 LEU QD . . 3.920 3.065 2.597 3.586 . 0 0 "[ . 1 . 2]" 1
94 1 19 VAL QG 1 20 THR H . . 3.480 3.225 3.144 3.331 . 0 0 "[ . 1 . 2]" 1
95 1 19 VAL QG 1 57 ALA MB . . 2.760 2.122 1.732 2.505 . 0 0 "[ . 1 . 2]" 1
96 1 19 VAL QG 1 59 LEU H . . 4.540 3.973 3.405 4.279 . 0 0 "[ . 1 . 2]" 1
97 1 19 VAL QG 1 59 LEU HA . . 4.360 3.577 3.193 3.827 . 0 0 "[ . 1 . 2]" 1
98 1 19 VAL QG 1 59 LEU QD . . 3.010 1.825 1.594 2.430 . 0 0 "[ . 1 . 2]" 1
99 1 19 VAL QG 1 93 MET H . . 4.180 4.300 3.850 4.748 0.568 20 1 "[ . 1 . +]" 1
100 1 20 THR H 1 20 THR HB . . 3.310 2.739 2.610 3.319 0.009 9 0 "[ . 1 . 2]" 1
101 1 20 THR H 1 20 THR MG . . 3.880 3.699 3.215 3.765 . 0 0 "[ . 1 . 2]" 1
102 1 20 THR H 1 21 LEU H . . 4.770 4.537 4.480 4.603 . 0 0 "[ . 1 . 2]" 1
103 1 20 THR H 1 57 ALA MB . . 4.380 4.238 3.780 4.440 0.060 8 0 "[ . 1 . 2]" 1
104 1 20 THR HA 1 20 THR MG . . 3.230 2.216 2.055 2.330 . 0 0 "[ . 1 . 2]" 1
105 1 20 THR HA 1 21 LEU H . . 2.860 2.187 2.163 2.221 . 0 0 "[ . 1 . 2]" 1
106 1 20 THR HA 1 21 LEU HA . . 4.390 4.343 4.327 4.362 . 0 0 "[ . 1 . 2]" 1
107 1 20 THR HA 1 21 LEU HG . . 4.230 5.679 4.785 6.470 2.240 19 20 [***********-******+*] 1
108 1 20 THR HA 1 92 SER HA . . 3.340 2.486 2.105 2.772 . 0 0 "[ . 1 . 2]" 1
109 1 20 THR HA 1 93 MET H . . 4.070 4.040 3.893 4.110 0.040 13 0 "[ . 1 . 2]" 1
110 1 20 THR HB 1 21 LEU H . . 3.960 3.992 3.589 4.090 0.130 15 0 "[ . 1 . 2]" 1
111 1 20 THR MG 1 21 LEU H . . 3.540 2.798 2.415 3.525 . 0 0 "[ . 1 . 2]" 1
112 1 20 THR MG 1 90 GLU HB3 . . 4.280 5.006 4.118 5.767 1.487 9 16 "[** ****+****** *-*2]" 1
113 1 20 THR MG 1 91 ILE H . . 5.280 4.125 3.604 4.569 . 0 0 "[ . 1 . 2]" 1
114 1 20 THR MG 1 92 SER HA . . 3.650 2.706 2.007 2.873 . 0 0 "[ . 1 . 2]" 1
115 1 20 THR MG 1 92 SER HB3 . . 3.840 3.778 3.381 4.074 0.234 20 0 "[ . 1 . 2]" 1
116 1 20 THR MG 1 93 MET H . . 4.930 4.823 4.050 4.956 0.026 20 0 "[ . 1 . 2]" 1
117 1 21 LEU H 1 21 LEU HB3 . . 3.550 3.391 3.015 3.612 0.062 15 0 "[ . 1 . 2]" 1
118 1 21 LEU H 1 21 LEU QD . . 4.340 3.117 2.790 3.505 . 0 0 "[ . 1 . 2]" 1
119 1 21 LEU H 1 21 LEU HG . . 3.800 4.297 3.661 4.707 0.907 11 13 "[**- * * **+ *. ****]" 1
120 1 21 LEU H 1 91 ILE H . . 4.120 3.158 2.760 3.617 . 0 0 "[ . 1 . 2]" 1
121 1 21 LEU H 1 91 ILE HB . . 3.970 2.730 2.246 3.311 . 0 0 "[ . 1 . 2]" 1
122 1 21 LEU H 1 91 ILE MG . . 4.370 3.401 3.002 4.173 . 0 0 "[ . 1 . 2]" 1
123 1 21 LEU H 1 92 SER HA . . 4.380 4.000 3.613 4.297 . 0 0 "[ . 1 . 2]" 1
124 1 21 LEU H 1 93 MET H . . 5.330 5.230 4.851 5.359 0.029 14 0 "[ . 1 . 2]" 1
125 1 21 LEU HA 1 21 LEU QD . . 3.140 2.525 2.013 2.967 . 0 0 "[ . 1 . 2]" 1
126 1 21 LEU HA 1 22 LYS H . . 2.860 2.456 2.319 2.611 . 0 0 "[ . 1 . 2]" 1
127 1 21 LEU HB3 1 22 LYS H . . 4.210 2.743 2.210 3.183 . 0 0 "[ . 1 . 2]" 1
128 1 21 LEU HB3 1 91 ILE H . . 3.940 4.042 3.501 4.777 0.837 6 4 "[ .+ **1 - . 2]" 1
129 1 21 LEU HB3 1 91 ILE HB . . 3.150 3.194 2.546 3.894 0.744 16 3 "[ . -1 * .+ 2]" 1
130 1 21 LEU QD 1 22 LYS H . . 4.040 3.432 3.037 3.738 . 0 0 "[ . 1 . 2]" 1
131 1 21 LEU QD 1 31 PHE QE . . 3.490 2.300 1.824 3.122 . 0 0 "[ . 1 . 2]" 1
132 1 21 LEU QD 1 53 ASP H . . 5.450 3.673 3.264 4.339 . 0 0 "[ . 1 . 2]" 1
133 1 21 LEU QD 1 53 ASP HA . . 4.510 3.931 3.552 4.418 . 0 0 "[ . 1 . 2]" 1
134 1 21 LEU QD 1 53 ASP HB3 . . 3.580 2.640 1.837 3.215 . 0 0 "[ . 1 . 2]" 1
135 1 21 LEU QD 1 54 ALA H . . 4.090 2.615 2.260 3.237 . 0 0 "[ . 1 . 2]" 1
136 1 21 LEU QD 1 54 ALA HA . . 3.220 2.003 1.765 2.262 . 0 0 "[ . 1 . 2]" 1
137 1 21 LEU QD 1 57 ALA H . . 4.700 3.555 3.129 3.900 . 0 0 "[ . 1 . 2]" 1
138 1 21 LEU QD 1 57 ALA MB . . 2.820 1.985 1.642 2.252 . 0 0 "[ . 1 . 2]" 1
139 1 21 LEU QD 1 59 LEU QD . . 3.400 2.468 1.893 2.929 . 0 0 "[ . 1 . 2]" 1
140 1 22 LYS H 1 22 LYS HB3 . . 3.400 3.300 2.801 3.807 0.407 6 0 "[ . 1 . 2]" 1
141 1 22 LYS H 1 22 LYS HG3 . . 4.330 4.004 2.821 4.606 0.276 10 0 "[ . 1 . 2]" 1
142 1 22 LYS H 1 23 LYS H . . 4.520 2.426 1.889 4.162 . 0 0 "[ . 1 . 2]" 1
143 1 22 LYS HA 1 22 LYS HG3 . . 3.940 3.038 2.037 3.854 . 0 0 "[ . 1 . 2]" 1
144 1 22 LYS HB3 1 23 LYS H . . 4.280 3.384 2.099 4.210 . 0 0 "[ . 1 . 2]" 1
145 1 23 LYS H 1 23 LYS HB3 . . 3.770 3.203 2.028 3.886 0.116 9 0 "[ . 1 . 2]" 1
146 1 23 LYS H 1 23 LYS HG3 . . 3.890 4.154 3.721 4.581 0.691 8 2 "[ . + 1 . -]" 1
147 1 23 LYS H 1 24 PRO HD3 . . 5.220 3.794 3.111 4.419 . 0 0 "[ . 1 . 2]" 1
148 1 23 LYS H 1 91 ILE MD . . 4.820 4.435 3.084 4.899 0.079 1 0 "[ . 1 . 2]" 1
149 1 23 LYS HA 1 23 LYS HD3 . . 3.600 3.543 2.730 4.416 0.816 8 2 "[ . + 1 . -]" 1
150 1 23 LYS HA 1 23 LYS HG3 . . 3.590 2.528 2.078 3.408 . 0 0 "[ . 1 . 2]" 1
151 1 23 LYS HA 1 24 PRO HD3 . . 3.130 1.958 1.911 2.026 . 0 0 "[ . 1 . 2]" 1
152 1 23 LYS HA 1 27 ALA MB . . 3.710 3.478 3.235 3.899 0.189 19 0 "[ . 1 . 2]" 1
153 1 23 LYS HB3 1 23 LYS HE3 . . 4.330 3.610 1.981 4.795 0.465 2 0 "[ . 1 . 2]" 1
154 1 23 LYS HB3 1 24 PRO HD3 . . 4.210 4.706 4.554 4.883 0.673 6 11 "[****.+- **** .* 2]" 1
155 1 23 LYS HB3 1 91 ILE MD . . 4.710 3.292 2.072 4.536 . 0 0 "[ . 1 . 2]" 1
156 1 23 LYS HD3 1 29 LEU HA . . 3.900 2.973 2.014 3.985 0.085 5 0 "[ . 1 . 2]" 1
157 1 23 LYS HD3 1 29 LEU QD . . 3.980 3.413 1.896 4.034 0.054 14 0 "[ . 1 . 2]" 1
158 1 23 LYS HD3 1 91 ILE MD . . 4.080 3.603 2.101 5.064 0.984 7 1 "[ . + 1 . 2]" 1
159 1 23 LYS HE3 1 29 LEU HA . . 4.390 3.183 1.967 4.421 0.031 13 0 "[ . 1 . 2]" 1
160 1 23 LYS HE3 1 29 LEU QD . . 3.950 2.353 1.840 3.356 . 0 0 "[ . 1 . 2]" 1
161 1 24 PRO HB3 1 25 PRO HD3 . . 3.700 3.290 3.125 3.465 . 0 0 "[ . 1 . 2]" 1
162 1 24 PRO HB3 1 27 ALA H . . 4.690 6.128 5.590 6.234 1.544 13 20 [****-*******+*******] 1
163 1 24 PRO HB3 1 27 ALA MB . . 3.470 4.196 3.833 4.337 0.867 5 17 "[****+ * ** ********-]" 1
164 1 24 PRO HD3 1 27 ALA MB . . 3.160 3.188 3.125 3.340 0.180 8 0 "[ . 1 . 2]" 1
165 1 25 PRO HA 1 26 GLY H . . 3.420 2.432 2.159 3.399 . 0 0 "[ . 1 . 2]" 1
166 1 25 PRO HA 1 27 ALA H . . 4.350 3.889 3.527 4.180 . 0 0 "[ . 1 . 2]" 1
167 1 26 GLY H 1 27 ALA H . . 3.980 2.062 1.860 2.868 . 0 0 "[ . 1 . 2]" 1
168 1 27 ALA H 1 27 ALA MB . . 3.050 2.388 2.131 2.711 . 0 0 "[ . 1 . 2]" 1
169 1 27 ALA H 1 28 GLN H . . 4.490 4.424 4.260 4.611 0.121 9 0 "[ . 1 . 2]" 1
170 1 27 ALA HA 1 28 GLN H . . 2.870 2.609 2.302 2.869 . 0 0 "[ . 1 . 2]" 1
171 1 27 ALA MB 1 28 GLN H . . 3.320 2.413 1.960 2.930 . 0 0 "[ . 1 . 2]" 1
172 1 28 GLN H 1 28 GLN HB3 . . 3.390 3.392 2.526 3.854 0.464 1 0 "[ . 1 . 2]" 1
173 1 28 GLN H 1 28 GLN HG3 . . 4.140 3.296 1.928 4.007 . 0 0 "[ . 1 . 2]" 1
174 1 28 GLN H 1 29 LEU H . . 4.920 3.924 2.548 4.660 . 0 0 "[ . 1 . 2]" 1
175 1 28 GLN HA 1 28 GLN HG3 . . 4.120 3.309 2.691 4.132 0.012 6 0 "[ . 1 . 2]" 1
176 1 28 GLN HA 1 29 LEU H . . 3.130 2.570 2.202 3.193 0.063 15 0 "[ . 1 . 2]" 1
177 1 28 GLN HB3 1 29 LEU H . . 4.600 3.608 1.891 4.691 0.091 4 0 "[ . 1 . 2]" 1
178 1 29 LEU H 1 29 LEU HA . . 2.500 2.556 2.206 2.932 0.432 15 0 "[ . 1 . 2]" 1
179 1 29 LEU H 1 29 LEU HB3 . . 3.930 3.471 3.073 4.052 0.122 13 0 "[ . 1 . 2]" 1
180 1 29 LEU H 1 29 LEU QD . . 4.520 2.890 2.407 3.619 . 0 0 "[ . 1 . 2]" 1
181 1 29 LEU H 1 29 LEU HG . . 3.900 4.402 3.742 5.108 1.208 4 9 "[* *+* *1 ** -*]" 1
182 1 29 LEU H 1 30 GLY H . . 4.520 3.537 2.303 4.261 . 0 0 "[ . 1 . 2]" 1
183 1 29 LEU HA 1 29 LEU QD . . 3.280 2.129 1.860 2.673 . 0 0 "[ . 1 . 2]" 1
184 1 29 LEU HA 1 29 LEU HG . . 3.820 2.621 2.244 3.570 . 0 0 "[ . 1 . 2]" 1
185 1 29 LEU HA 1 30 GLY H . . 2.400 3.305 2.181 3.640 1.240 17 15 "[****.*** *** *-+**2]" 1
186 1 29 LEU HA 1 31 PHE H . . 4.630 4.359 3.536 4.659 0.029 15 0 "[ . 1 . 2]" 1
187 1 29 LEU HB3 1 31 PHE H . . 3.000 2.197 2.094 2.430 . 0 0 "[ . 1 . 2]" 1
188 1 29 LEU HB3 1 31 PHE QD . . 4.650 3.687 3.455 4.132 . 0 0 "[ . 1 . 2]" 1
189 1 29 LEU QD 1 31 PHE H . . 4.550 3.385 2.753 3.890 . 0 0 "[ . 1 . 2]" 1
190 1 29 LEU QD 1 31 PHE QD . . 3.830 3.249 2.805 3.662 . 0 0 "[ . 1 . 2]" 1
191 1 29 LEU QD 1 31 PHE QE . . 3.730 2.493 1.766 2.981 . 0 0 "[ . 1 . 2]" 1
192 1 29 LEU QD 1 31 PHE HZ . . 3.720 2.645 1.974 3.183 . 0 0 "[ . 1 . 2]" 1
193 1 29 LEU QD 1 85 LEU HB3 . . 3.700 2.126 1.836 2.835 . 0 0 "[ . 1 . 2]" 1
194 1 29 LEU QD 1 85 LEU MD1 . . 3.000 1.997 1.744 2.680 . 0 0 "[ . 1 . 2]" 1
195 1 29 LEU QD 1 86 LYS HA . . 4.260 2.758 2.254 3.210 . 0 0 "[ . 1 . 2]" 1
196 1 29 LEU QD 1 91 ILE MD . . 3.460 2.313 1.765 2.851 . 0 0 "[ . 1 . 2]" 1
197 1 29 LEU HG 1 31 PHE QE . . 4.350 2.668 2.219 3.416 . 0 0 "[ . 1 . 2]" 1
198 1 30 GLY H 1 31 PHE H . . 3.480 2.096 1.878 2.799 . 0 0 "[ . 1 . 2]" 1
199 1 30 GLY HA2 1 49 ILE H . . 4.770 3.806 3.467 3.992 . 0 0 "[ . 1 . 2]" 1
200 1 30 GLY HA2 1 49 ILE HB . . 3.920 2.859 2.540 3.818 . 0 0 "[ . 1 . 2]" 1
201 1 30 GLY HA2 1 49 ILE MD . . 4.350 3.803 3.715 3.907 . 0 0 "[ . 1 . 2]" 1
202 1 30 GLY HA2 1 49 ILE HG13 . . 4.210 2.226 2.010 3.187 . 0 0 "[ . 1 . 2]" 1
203 1 30 GLY HA3 1 49 ILE HB . . 4.680 3.234 2.923 3.740 . 0 0 "[ . 1 . 2]" 1
204 1 30 GLY HA3 1 54 ALA MB . . 3.850 3.421 2.740 3.848 . 0 0 "[ . 1 . 2]" 1
205 1 31 PHE H 1 32 ASN H . . 5.070 4.365 4.322 4.417 . 0 0 "[ . 1 . 2]" 1
206 1 31 PHE H 1 49 ILE HG13 . . 4.150 4.535 4.039 5.873 1.723 7 6 "[ * + ** -* 2]" 1
207 1 31 PHE H 1 54 ALA MB . . 4.960 4.500 3.905 4.853 . 0 0 "[ . 1 . 2]" 1
208 1 31 PHE HA 1 31 PHE QD . . 4.090 3.712 3.662 3.757 . 0 0 "[ . 1 . 2]" 1
209 1 31 PHE HA 1 32 ASN H . . 3.140 2.437 2.360 2.604 . 0 0 "[ . 1 . 2]" 1
210 1 31 PHE HA 1 47 LYS H . . 4.840 4.435 4.228 4.859 0.019 20 0 "[ . 1 . 2]" 1
211 1 31 PHE HA 1 48 VAL HA . . 3.370 2.137 1.930 2.356 . 0 0 "[ . 1 . 2]" 1
212 1 31 PHE HA 1 48 VAL QG . . 4.070 3.317 3.109 3.677 . 0 0 "[ . 1 . 2]" 1
213 1 31 PHE HA 1 49 ILE H . . 3.820 2.856 2.451 3.345 . 0 0 "[ . 1 . 2]" 1
214 1 31 PHE HA 1 49 ILE MD . . 4.130 3.923 3.321 4.169 0.039 19 0 "[ . 1 . 2]" 1
215 1 31 PHE HB3 1 32 ASN H . . 3.800 3.832 3.638 3.954 0.154 7 0 "[ . 1 . 2]" 1
216 1 31 PHE HB3 1 45 ILE MG . . 3.690 3.612 3.171 3.748 0.058 10 0 "[ . 1 . 2]" 1
217 1 31 PHE HB3 1 48 VAL HA . . 3.870 2.426 2.084 2.878 . 0 0 "[ . 1 . 2]" 1
218 1 31 PHE HB3 1 48 VAL HB . . 4.230 4.503 1.952 5.142 0.912 19 7 "[ .* **1 * . - +*]" 1
219 1 31 PHE HB3 1 48 VAL QG . . 3.590 2.295 1.975 2.722 . 0 0 "[ . 1 . 2]" 1
220 1 31 PHE HB3 1 49 ILE H . . 4.820 3.399 3.015 3.724 . 0 0 "[ . 1 . 2]" 1
221 1 31 PHE HB3 1 54 ALA MB . . 3.860 2.782 2.312 3.023 . 0 0 "[ . 1 . 2]" 1
222 1 31 PHE HB3 1 59 LEU QD . . 4.370 3.280 2.695 3.683 . 0 0 "[ . 1 . 2]" 1
223 1 31 PHE QD 1 32 ASN H . . 3.970 3.753 3.068 3.998 0.028 2 0 "[ . 1 . 2]" 1
224 1 31 PHE QD 1 32 ASN HA . . 4.320 4.076 3.271 4.504 0.184 13 0 "[ . 1 . 2]" 1
225 1 31 PHE QD 1 33 ILE MG . . 3.250 2.625 2.295 2.840 . 0 0 "[ . 1 . 2]" 1
226 1 31 PHE QD 1 45 ILE HA . . 4.490 4.109 3.686 4.455 . 0 0 "[ . 1 . 2]" 1
227 1 31 PHE QD 1 45 ILE MD . . 3.300 2.906 2.438 3.327 0.027 12 0 "[ . 1 . 2]" 1
228 1 31 PHE QD 1 45 ILE MG . . 3.640 3.536 3.196 3.678 0.038 14 0 "[ . 1 . 2]" 1
229 1 31 PHE QD 1 54 ALA MB . . 3.080 2.218 1.877 2.746 . 0 0 "[ . 1 . 2]" 1
230 1 31 PHE QE 1 33 ILE MG . . 3.070 2.725 1.911 3.101 0.031 11 0 "[ . 1 . 2]" 1
231 1 31 PHE QE 1 45 ILE MD . . 4.020 3.711 3.391 3.999 . 0 0 "[ . 1 . 2]" 1
232 1 31 PHE QE 1 54 ALA MB . . 4.220 3.072 2.324 3.847 . 0 0 "[ . 1 . 2]" 1
233 1 31 PHE QE 1 85 LEU MD1 . . 3.510 2.128 1.822 2.475 . 0 0 "[ . 1 . 2]" 1
234 1 31 PHE QE 1 93 MET ME . . 3.260 2.882 2.268 3.320 0.060 4 0 "[ . 1 . 2]" 1
235 1 31 PHE HZ 1 85 LEU MD1 . . 3.580 3.009 1.913 3.785 0.205 2 0 "[ . 1 . 2]" 1
236 1 31 PHE HZ 1 85 LEU MD2 . . 3.420 2.642 1.988 3.270 . 0 0 "[ . 1 . 2]" 1
237 1 31 PHE HZ 1 93 MET ME . . 4.150 3.562 3.117 4.173 0.023 2 0 "[ . 1 . 2]" 1
238 1 32 ASN H 1 32 ASN HB3 . . 3.640 3.519 3.428 3.595 . 0 0 "[ . 1 . 2]" 1
239 1 32 ASN H 1 33 ILE H . . 4.760 4.504 4.437 4.559 . 0 0 "[ . 1 . 2]" 1
240 1 32 ASN H 1 45 ILE MG . . 4.190 3.784 3.386 4.046 . 0 0 "[ . 1 . 2]" 1
241 1 32 ASN H 1 46 SER H . . 4.650 4.395 3.997 4.658 0.008 18 0 "[ . 1 . 2]" 1
242 1 32 ASN H 1 47 LYS H . . 3.630 2.292 2.156 2.543 . 0 0 "[ . 1 . 2]" 1
243 1 32 ASN H 1 47 LYS HB3 . . 4.160 3.329 3.052 3.687 . 0 0 "[ . 1 . 2]" 1
244 1 32 ASN H 1 48 VAL H . . 5.020 4.615 4.496 4.764 . 0 0 "[ . 1 . 2]" 1
245 1 32 ASN H 1 48 VAL HA . . 4.190 3.507 3.208 3.737 . 0 0 "[ . 1 . 2]" 1
246 1 32 ASN H 1 48 VAL QG . . 4.750 3.671 3.334 4.309 . 0 0 "[ . 1 . 2]" 1
247 1 32 ASN HA 1 32 ASN HD22 . . 4.800 4.349 4.040 4.540 . 0 0 "[ . 1 . 2]" 1
248 1 32 ASN HA 1 33 ILE H . . 3.180 2.401 2.273 2.596 . 0 0 "[ . 1 . 2]" 1
249 1 32 ASN HA 1 33 ILE MG . . 4.330 3.679 3.412 3.859 . 0 0 "[ . 1 . 2]" 1
250 1 32 ASN HB3 1 33 ILE H . . 4.290 2.895 2.346 3.344 . 0 0 "[ . 1 . 2]" 1
251 1 32 ASN HB3 1 46 SER H . . 4.610 4.408 4.040 4.645 0.035 8 0 "[ . 1 . 2]" 1
252 1 32 ASN HB3 1 47 LYS H . . 4.030 3.405 2.964 3.712 . 0 0 "[ . 1 . 2]" 1
253 1 32 ASN HB3 1 47 LYS HB3 . . 3.600 4.013 3.709 4.481 0.881 3 7 "[ + - * 1 * .*** 2]" 1
254 1 32 ASN HB3 1 47 LYS HG3 . . 4.760 6.390 5.914 7.147 2.387 17 20 [****************+**-] 1
255 1 32 ASN HD22 1 47 LYS HB3 . . 4.740 4.026 3.359 4.560 . 0 0 "[ . 1 . 2]" 1
256 1 33 ILE H 1 33 ILE MD . . 4.440 3.711 3.616 3.854 . 0 0 "[ . 1 . 2]" 1
257 1 33 ILE H 1 33 ILE HG13 . . 3.680 2.014 1.943 2.206 . 0 0 "[ . 1 . 2]" 1
258 1 33 ILE H 1 33 ILE MG . . 3.890 2.901 2.635 3.244 . 0 0 "[ . 1 . 2]" 1
259 1 33 ILE H 1 46 SER H . . 5.020 4.471 4.223 4.647 . 0 0 "[ . 1 . 2]" 1
260 1 33 ILE HA 1 33 ILE MD . . 4.280 3.913 3.768 4.025 . 0 0 "[ . 1 . 2]" 1
261 1 33 ILE HA 1 33 ILE MG . . 3.200 2.215 2.111 2.347 . 0 0 "[ . 1 . 2]" 1
262 1 33 ILE HA 1 34 ARG H . . 3.120 2.313 2.210 2.409 . 0 0 "[ . 1 . 2]" 1
263 1 33 ILE HA 1 44 PHE H . . 5.250 4.216 3.894 4.555 . 0 0 "[ . 1 . 2]" 1
264 1 33 ILE HA 1 45 ILE HA . . 3.510 3.194 2.954 3.402 . 0 0 "[ . 1 . 2]" 1
265 1 33 ILE HA 1 46 SER H . . 3.450 2.263 2.025 2.392 . 0 0 "[ . 1 . 2]" 1
266 1 33 ILE HA 1 46 SER HB3 . . 4.460 2.671 2.394 2.799 . 0 0 "[ . 1 . 2]" 1
267 1 33 ILE HA 1 47 LYS H . . 4.990 4.351 4.173 4.485 . 0 0 "[ . 1 . 2]" 1
268 1 33 ILE HB 1 33 ILE MD . . 3.150 1.965 1.938 2.010 . 0 0 "[ . 1 . 2]" 1
269 1 33 ILE HB 1 34 ARG H . . 3.420 2.883 2.608 3.248 . 0 0 "[ . 1 . 2]" 1
270 1 33 ILE HB 1 43 ILE MD . . 4.150 3.128 2.555 3.892 . 0 0 "[ . 1 . 2]" 1
271 1 33 ILE HB 1 43 ILE MG . . 2.910 2.320 1.993 2.581 . 0 0 "[ . 1 . 2]" 1
272 1 33 ILE HB 1 44 PHE H . . 4.390 4.085 3.689 4.357 . 0 0 "[ . 1 . 2]" 1
273 1 33 ILE HB 1 46 SER H . . 4.690 4.627 4.410 4.757 0.067 20 0 "[ . 1 . 2]" 1
274 1 33 ILE HB 1 78 HIS HD2 . . 4.700 3.979 3.293 4.502 . 0 0 "[ . 1 . 2]" 1
275 1 33 ILE MD 1 33 ILE MG . . 2.930 2.787 2.628 2.961 0.031 3 0 "[ . 1 . 2]" 1
276 1 33 ILE MD 1 34 ARG H . . 4.820 3.886 3.495 4.387 . 0 0 "[ . 1 . 2]" 1
277 1 33 ILE MD 1 43 ILE MG . . 2.860 2.623 2.173 2.897 0.037 15 0 "[ . 1 . 2]" 1
278 1 33 ILE MD 1 44 PHE H . . 4.930 4.884 4.632 4.945 0.015 20 0 "[ . 1 . 2]" 1
279 1 33 ILE MD 1 78 HIS HA . . 4.550 2.290 1.943 2.719 . 0 0 "[ . 1 . 2]" 1
280 1 33 ILE MD 1 78 HIS HD2 . . 4.200 2.391 1.931 2.683 . 0 0 "[ . 1 . 2]" 1
281 1 33 ILE MD 1 81 ALA MB . . 2.490 1.686 1.613 1.843 . 0 0 "[ . 1 . 2]" 1
282 1 33 ILE MD 1 82 VAL H . . 4.200 2.401 1.868 2.846 . 0 0 "[ . 1 . 2]" 1
283 1 33 ILE MD 1 82 VAL HA . . 3.560 3.348 2.860 3.584 0.024 14 0 "[ . 1 . 2]" 1
284 1 33 ILE MD 1 82 VAL QG . . 3.080 1.971 1.781 2.794 . 0 0 "[ . 1 . 2]" 1
285 1 33 ILE HG13 1 33 ILE MG . . 3.570 3.010 2.911 3.105 . 0 0 "[ . 1 . 2]" 1
286 1 33 ILE HG13 1 78 HIS HD2 . . 4.420 3.109 1.994 3.792 . 0 0 "[ . 1 . 2]" 1
287 1 33 ILE HG13 1 78 HIS HE1 . . 4.440 4.083 3.826 4.549 0.109 15 0 "[ . 1 . 2]" 1
288 1 33 ILE HG13 1 82 VAL QG . . 3.990 2.399 2.095 2.970 . 0 0 "[ . 1 . 2]" 1
289 1 33 ILE MG 1 34 ARG H . . 4.110 3.781 3.621 3.950 . 0 0 "[ . 1 . 2]" 1
290 1 33 ILE MG 1 45 ILE HA . . 3.620 3.257 2.944 3.501 . 0 0 "[ . 1 . 2]" 1
291 1 33 ILE MG 1 45 ILE MD . . 3.250 3.107 2.848 3.267 0.017 7 0 "[ . 1 . 2]" 1
292 1 33 ILE MG 1 46 SER H . . 4.330 3.679 3.237 3.879 . 0 0 "[ . 1 . 2]" 1
293 1 34 ARG H 1 34 ARG HG3 . . 3.830 2.857 2.616 3.117 . 0 0 "[ . 1 . 2]" 1
294 1 34 ARG H 1 35 GLY H . . 5.420 4.402 4.328 4.473 . 0 0 "[ . 1 . 2]" 1
295 1 34 ARG H 1 43 ILE MG . . 4.030 3.193 2.574 3.968 . 0 0 "[ . 1 . 2]" 1
296 1 34 ARG H 1 44 PHE H . . 3.910 2.603 2.252 3.020 . 0 0 "[ . 1 . 2]" 1
297 1 34 ARG H 1 44 PHE HB3 . . 5.100 5.086 4.878 5.348 0.248 15 0 "[ . 1 . 2]" 1
298 1 34 ARG H 1 45 ILE HA . . 4.750 4.399 3.937 4.755 0.005 8 0 "[ . 1 . 2]" 1
299 1 34 ARG H 1 46 SER H . . 4.680 3.187 2.737 3.622 . 0 0 "[ . 1 . 2]" 1
300 1 34 ARG H 1 46 SER HB3 . . 5.130 3.194 2.573 3.688 . 0 0 "[ . 1 . 2]" 1
301 1 34 ARG HA 1 35 GLY H . . 3.250 2.602 2.392 2.685 . 0 0 "[ . 1 . 2]" 1
302 1 34 ARG HA 1 78 HIS HD2 . . 4.050 2.208 1.998 2.643 . 0 0 "[ . 1 . 2]" 1
303 1 34 ARG HB3 1 34 ARG HD3 . . 4.270 2.897 2.610 3.471 . 0 0 "[ . 1 . 2]" 1
304 1 34 ARG HB3 1 35 GLY H . . 4.040 3.707 3.580 4.029 . 0 0 "[ . 1 . 2]" 1
305 1 34 ARG HB3 1 46 SER HB3 . . 3.820 2.834 2.504 3.366 . 0 0 "[ . 1 . 2]" 1
306 1 34 ARG HD3 1 46 SER HB3 . . 4.080 3.839 3.524 5.002 0.922 16 1 "[ . 1 .+ 2]" 1
307 1 34 ARG HE 1 34 ARG HG3 . . 4.080 2.572 2.105 3.599 . 0 0 "[ . 1 . 2]" 1
308 1 34 ARG HG3 1 35 GLY H . . 5.090 3.581 3.253 3.988 . 0 0 "[ . 1 . 2]" 1
309 1 34 ARG HG3 1 44 PHE H . . 4.770 3.278 2.908 3.954 . 0 0 "[ . 1 . 2]" 1
310 1 34 ARG HG3 1 44 PHE HB3 . . 4.050 3.980 3.567 4.446 0.396 9 0 "[ . 1 . 2]" 1
311 1 34 ARG HG3 1 46 SER HB3 . . 3.740 4.158 3.827 4.384 0.644 5 8 "[ *+ * -* *. ** 2]" 1
312 1 35 GLY H 1 36 GLY H . . 3.500 4.327 3.675 4.571 1.071 19 18 "[ *********** *-***+*]" 1
313 1 35 GLY H 1 41 LEU QD . . 4.400 4.282 3.998 4.382 . 0 0 "[ . 1 . 2]" 1
314 1 35 GLY H 1 78 HIS HD2 . . 4.480 4.252 3.876 4.539 0.059 15 0 "[ . 1 . 2]" 1
315 1 35 GLY HA2 1 41 LEU HB3 . . 4.740 4.055 3.125 4.757 0.017 8 0 "[ . 1 . 2]" 1
316 1 35 GLY HA2 1 41 LEU QD . . 4.290 2.554 1.992 3.381 . 0 0 "[ . 1 . 2]" 1
317 1 36 GLY H 1 41 LEU HB3 . . 5.400 2.429 1.944 3.514 . 0 0 "[ . 1 . 2]" 1
318 1 36 GLY H 1 42 GLY H . . 4.980 3.481 2.208 4.721 . 0 0 "[ . 1 . 2]" 1
319 1 36 GLY H 1 43 ILE MD . . 4.600 4.075 3.003 4.614 0.014 1 0 "[ . 1 . 2]" 1
320 1 36 GLY QA 1 37 LYS H . . 3.370 2.322 2.171 2.758 . 0 0 "[ . 1 . 2]" 1
321 1 36 GLY QA 1 41 LEU HB3 . . 4.360 3.043 2.107 4.212 . 0 0 "[ . 1 . 2]" 1
322 1 36 GLY QA 1 42 GLY H . . 4.910 3.781 3.326 4.370 . 0 0 "[ . 1 . 2]" 1
323 1 36 GLY QA 1 43 ILE MD . . 3.970 2.693 2.045 3.392 . 0 0 "[ . 1 . 2]" 1
324 1 37 LYS H 1 37 LYS HB3 . . 3.670 3.510 2.350 3.938 0.268 18 0 "[ . 1 . 2]" 1
325 1 37 LYS H 1 37 LYS HG3 . . 4.300 3.952 2.099 4.464 0.164 8 0 "[ . 1 . 2]" 1
326 1 37 LYS H 1 38 ALA H . . 4.490 3.423 2.122 4.589 0.099 13 0 "[ . 1 . 2]" 1
327 1 37 LYS HA 1 37 LYS HG3 . . 3.840 3.227 2.362 4.127 0.287 14 0 "[ . 1 . 2]" 1
328 1 37 LYS HA 1 38 ALA MB . . 4.700 4.149 3.799 4.552 . 0 0 "[ . 1 . 2]" 1
329 1 37 LYS HB3 1 38 ALA H . . 4.490 3.052 1.980 4.613 0.123 14 0 "[ . 1 . 2]" 1
330 1 38 ALA H 1 38 ALA MB . . 3.570 2.492 1.982 2.983 . 0 0 "[ . 1 . 2]" 1
331 1 38 ALA H 1 39 SER H . . 4.090 3.068 1.876 4.127 0.037 17 0 "[ . 1 . 2]" 1
332 1 38 ALA MB 1 39 SER H . . 3.560 2.581 1.849 3.776 0.216 4 0 "[ . 1 . 2]" 1
333 1 38 ALA MB 1 40 GLN H . . 5.090 4.736 3.701 5.148 0.058 13 0 "[ . 1 . 2]" 1
334 1 39 SER HB3 1 40 GLN H . . 4.870 3.466 1.938 4.529 . 0 0 "[ . 1 . 2]" 1
335 1 40 GLN H 1 40 GLN HB3 . . 4.100 3.886 3.486 4.102 0.002 8 0 "[ . 1 . 2]" 1
336 1 40 GLN H 1 40 GLN HG3 . . 3.630 3.210 2.230 4.646 1.016 2 2 "[ + . -1 . 2]" 1
337 1 40 GLN HA 1 40 GLN HG3 . . 3.380 3.124 2.162 3.971 0.591 1 2 "[+ . 1 . - 2]" 1
338 1 40 GLN HE22 1 40 GLN HG3 . . 3.880 3.652 3.445 4.158 0.278 16 0 "[ . 1 . 2]" 1
339 1 41 LEU H 1 42 GLY H . . 4.980 4.490 4.150 4.675 . 0 0 "[ . 1 . 2]" 1
340 1 41 LEU HA 1 41 LEU QD . . 3.190 2.218 1.874 2.758 . 0 0 "[ . 1 . 2]" 1
341 1 41 LEU HA 1 42 GLY H . . 3.250 2.798 2.307 3.133 . 0 0 "[ . 1 . 2]" 1
342 1 41 LEU HB3 1 42 GLY H . . 3.580 2.360 1.931 3.580 0.000 10 0 "[ . 1 . 2]" 1
343 1 41 LEU HB3 1 43 ILE MD . . 4.740 5.440 4.486 6.558 1.818 4 12 "[ +****** ** *-*2]" 1
344 1 41 LEU QD 1 42 GLY H . . 4.010 2.165 1.808 3.359 . 0 0 "[ . 1 . 2]" 1
345 1 41 LEU QD 1 44 PHE QE . . 4.420 2.573 1.885 3.629 . 0 0 "[ . 1 . 2]" 1
346 1 42 GLY H 1 43 ILE H . . 5.090 4.309 3.842 4.441 . 0 0 "[ . 1 . 2]" 1
347 1 42 GLY H 1 44 PHE QE . . 4.190 2.317 1.891 2.840 . 0 0 "[ . 1 . 2]" 1
348 1 42 GLY HA2 1 44 PHE QE . . 4.380 4.093 3.537 4.536 0.156 7 0 "[ . 1 . 2]" 1
349 1 42 GLY HA2 1 64 GLN HE21 . . 5.090 4.474 3.792 5.099 0.009 13 0 "[ . 1 . 2]" 1
350 1 42 GLY HA3 1 43 ILE H . . 3.570 2.533 2.216 2.863 . 0 0 "[ . 1 . 2]" 1
351 1 42 GLY HA3 1 44 PHE QE . . 4.460 2.933 1.995 3.696 . 0 0 "[ . 1 . 2]" 1
352 1 42 GLY HA3 1 64 GLN HE21 . . 4.670 3.092 2.170 3.800 . 0 0 "[ . 1 . 2]" 1
353 1 43 ILE H 1 43 ILE HB . . 3.550 2.371 2.190 2.588 . 0 0 "[ . 1 . 2]" 1
354 1 43 ILE H 1 43 ILE MD . . 4.890 3.644 3.319 4.024 . 0 0 "[ . 1 . 2]" 1
355 1 43 ILE H 1 43 ILE HG13 . . 4.610 3.912 3.662 4.316 . 0 0 "[ . 1 . 2]" 1
356 1 43 ILE H 1 43 ILE MG . . 4.390 3.711 3.593 3.781 . 0 0 "[ . 1 . 2]" 1
357 1 43 ILE H 1 44 PHE H . . 5.320 4.510 4.111 4.601 . 0 0 "[ . 1 . 2]" 1
358 1 43 ILE H 1 64 GLN HE21 . . 4.770 3.597 3.022 4.202 . 0 0 "[ . 1 . 2]" 1
359 1 43 ILE H 1 64 GLN HG3 . . 4.830 4.168 3.567 4.662 . 0 0 "[ . 1 . 2]" 1
360 1 43 ILE H 1 65 VAL HB . . 5.000 4.031 3.678 4.412 . 0 0 "[ . 1 . 2]" 1
361 1 43 ILE HA 1 43 ILE MD . . 3.220 2.003 1.924 2.174 . 0 0 "[ . 1 . 2]" 1
362 1 43 ILE HA 1 43 ILE MG . . 3.400 2.457 2.340 2.574 . 0 0 "[ . 1 . 2]" 1
363 1 43 ILE HA 1 44 PHE H . . 3.120 2.235 2.180 2.328 . 0 0 "[ . 1 . 2]" 1
364 1 43 ILE HA 1 44 PHE QD . . 4.390 3.090 2.698 3.587 . 0 0 "[ . 1 . 2]" 1
365 1 43 ILE HB 1 44 PHE H . . 5.140 4.243 4.020 4.522 . 0 0 "[ . 1 . 2]" 1
366 1 43 ILE HB 1 65 VAL H . . 4.530 3.719 3.461 3.913 . 0 0 "[ . 1 . 2]" 1
367 1 43 ILE HB 1 65 VAL HB . . 3.780 2.391 2.080 2.611 . 0 0 "[ . 1 . 2]" 1
368 1 43 ILE HB 1 65 VAL MG1 . . 3.900 3.547 3.102 3.944 0.044 20 0 "[ . 1 . 2]" 1
369 1 43 ILE HB 1 65 VAL MG2 . . 4.040 3.621 3.223 3.926 . 0 0 "[ . 1 . 2]" 1
370 1 43 ILE HB 1 73 PHE QD . . 3.630 2.028 1.993 2.309 . 0 0 "[ . 1 . 2]" 1
371 1 43 ILE HB 1 76 ILE MG . . 4.560 3.838 3.515 4.360 . 0 0 "[ . 1 . 2]" 1
372 1 43 ILE MD 1 43 ILE MG . . 2.790 2.028 1.927 2.142 . 0 0 "[ . 1 . 2]" 1
373 1 43 ILE MD 1 44 PHE H . . 4.310 3.289 2.866 3.713 . 0 0 "[ . 1 . 2]" 1
374 1 43 ILE MD 1 73 PHE QD . . 4.260 3.726 3.246 4.134 . 0 0 "[ . 1 . 2]" 1
375 1 43 ILE MD 1 76 ILE MG . . 3.460 2.690 2.260 3.152 . 0 0 "[ . 1 . 2]" 1
376 1 43 ILE MD 1 78 HIS HA . . 3.360 2.751 2.407 3.051 . 0 0 "[ . 1 . 2]" 1
377 1 43 ILE MD 1 78 HIS HD2 . . 3.920 3.915 3.622 3.959 0.039 20 0 "[ . 1 . 2]" 1
378 1 43 ILE HG13 1 73 PHE QD . . 4.030 2.378 1.989 2.779 . 0 0 "[ . 1 . 2]" 1
379 1 43 ILE HG13 1 76 ILE MG . . 3.430 2.293 1.965 2.707 . 0 0 "[ . 1 . 2]" 1
380 1 43 ILE MG 1 44 PHE H . . 3.630 2.393 2.074 3.125 . 0 0 "[ . 1 . 2]" 1
381 1 43 ILE MG 1 44 PHE HA . . 4.300 3.492 3.164 3.871 . 0 0 "[ . 1 . 2]" 1
382 1 43 ILE MG 1 65 VAL H . . 4.560 3.612 3.225 3.989 . 0 0 "[ . 1 . 2]" 1
383 1 43 ILE MG 1 65 VAL HB . . 3.700 2.305 1.973 2.767 . 0 0 "[ . 1 . 2]" 1
384 1 43 ILE MG 1 73 PHE QD . . 3.070 2.044 1.929 2.368 . 0 0 "[ . 1 . 2]" 1
385 1 44 PHE H 1 44 PHE HB3 . . 3.790 3.712 3.603 3.846 0.056 11 0 "[ . 1 . 2]" 1
386 1 44 PHE H 1 44 PHE QD . . 3.760 2.809 2.288 3.230 . 0 0 "[ . 1 . 2]" 1
387 1 44 PHE HA 1 44 PHE QD . . 3.890 3.115 2.933 3.204 . 0 0 "[ . 1 . 2]" 1
388 1 44 PHE HA 1 45 ILE H . . 3.150 2.344 2.209 2.474 . 0 0 "[ . 1 . 2]" 1
389 1 44 PHE HA 1 45 ILE HG13 . . 4.720 5.094 4.974 5.373 0.653 15 2 "[ . - 1 + 2]" 1
390 1 44 PHE HA 1 64 GLN HA . . 3.340 2.478 2.124 2.896 . 0 0 "[ . 1 . 2]" 1
391 1 44 PHE HA 1 65 VAL H . . 3.880 2.915 2.547 3.226 . 0 0 "[ . 1 . 2]" 1
392 1 44 PHE HA 1 65 VAL MG2 . . 4.090 2.837 2.439 3.249 . 0 0 "[ . 1 . 2]" 1
393 1 44 PHE HB3 1 45 ILE H . . 4.450 2.891 2.533 3.410 . 0 0 "[ . 1 . 2]" 1
394 1 44 PHE QD 1 45 ILE H . . 4.780 3.998 3.473 4.322 . 0 0 "[ . 1 . 2]" 1
395 1 44 PHE QD 1 64 GLN H . . 4.940 3.853 3.355 4.645 . 0 0 "[ . 1 . 2]" 1
396 1 44 PHE QD 1 64 GLN HA . . 3.980 2.852 2.435 3.460 . 0 0 "[ . 1 . 2]" 1
397 1 44 PHE QD 1 64 GLN HB3 . . 3.840 4.330 3.887 4.727 0.887 4 10 "[ +-* *** * ** *2]" 1
398 1 44 PHE QD 1 64 GLN HG3 . . 4.790 4.520 4.104 4.810 0.020 16 0 "[ . 1 . 2]" 1
399 1 44 PHE QD 1 65 VAL H . . 4.990 4.420 4.186 4.704 . 0 0 "[ . 1 . 2]" 1
400 1 44 PHE QE 1 64 GLN HB3 . . 4.000 3.642 3.426 3.958 . 0 0 "[ . 1 . 2]" 1
401 1 44 PHE QE 1 64 GLN HG3 . . 4.000 4.164 3.997 4.339 0.339 15 0 "[ . 1 . 2]" 1
402 1 44 PHE QE 1 98 PHE HB3 . . 3.840 3.624 2.767 4.215 0.375 6 0 "[ . 1 . 2]" 1
403 1 45 ILE H 1 45 ILE HB . . 3.520 2.439 2.365 2.490 . 0 0 "[ . 1 . 2]" 1
404 1 45 ILE H 1 45 ILE MD . . 4.130 3.538 3.277 3.724 . 0 0 "[ . 1 . 2]" 1
405 1 45 ILE H 1 45 ILE HG13 . . 3.690 3.235 3.103 3.393 . 0 0 "[ . 1 . 2]" 1
406 1 45 ILE H 1 45 ILE MG . . 4.130 3.713 3.701 3.733 . 0 0 "[ . 1 . 2]" 1
407 1 45 ILE H 1 62 GLY H . . 5.030 3.384 3.058 3.602 . 0 0 "[ . 1 . 2]" 1
408 1 45 ILE H 1 63 ASP H . . 4.820 3.395 2.185 4.421 . 0 0 "[ . 1 . 2]" 1
409 1 45 ILE H 1 65 VAL MG2 . . 4.420 3.427 3.134 3.863 . 0 0 "[ . 1 . 2]" 1
410 1 45 ILE HA 1 45 ILE MD . . 3.430 2.244 1.985 2.349 . 0 0 "[ . 1 . 2]" 1
411 1 45 ILE HA 1 45 ILE HG13 . . 4.060 3.772 3.719 3.822 . 0 0 "[ . 1 . 2]" 1
412 1 45 ILE HA 1 45 ILE MG . . 3.390 2.379 2.262 2.461 . 0 0 "[ . 1 . 2]" 1
413 1 45 ILE HA 1 46 SER H . . 3.160 2.276 2.181 2.396 . 0 0 "[ . 1 . 2]" 1
414 1 45 ILE HB 1 45 ILE MD . . 3.740 3.175 3.158 3.203 . 0 0 "[ . 1 . 2]" 1
415 1 45 ILE HB 1 48 VAL QG . . 4.290 3.687 3.497 3.886 . 0 0 "[ . 1 . 2]" 1
416 1 45 ILE HB 1 61 GLU HA . . 3.960 2.810 2.561 3.259 . 0 0 "[ . 1 . 2]" 1
417 1 45 ILE HB 1 62 GLY H . . 4.120 2.395 2.046 2.757 . 0 0 "[ . 1 . 2]" 1
418 1 45 ILE HB 1 63 ASP H . . 3.770 2.822 2.317 3.345 . 0 0 "[ . 1 . 2]" 1
419 1 45 ILE HB 1 63 ASP HB3 . . 4.500 4.296 3.989 4.544 0.044 12 0 "[ . 1 . 2]" 1
420 1 45 ILE MD 1 45 ILE MG . . 2.990 1.872 1.800 1.998 . 0 0 "[ . 1 . 2]" 1
421 1 45 ILE MD 1 46 SER H . . 4.530 4.117 3.830 4.373 . 0 0 "[ . 1 . 2]" 1
422 1 45 ILE MD 1 59 LEU HA . . 4.570 4.368 4.048 4.603 0.033 19 0 "[ . 1 . 2]" 1
423 1 45 ILE MD 1 60 GLN H . . 4.880 4.336 4.067 4.656 . 0 0 "[ . 1 . 2]" 1
424 1 45 ILE MD 1 63 ASP HB3 . . 4.050 3.997 3.677 4.083 0.033 14 0 "[ . 1 . 2]" 1
425 1 45 ILE MD 1 65 VAL MG2 . . 3.010 2.733 2.189 3.000 . 0 0 "[ . 1 . 2]" 1
426 1 45 ILE HG13 1 65 VAL MG2 . . 3.520 3.805 3.753 3.829 0.309 7 0 "[ . 1 . 2]" 1
427 1 45 ILE MG 1 46 SER H . . 3.720 3.496 3.135 3.742 0.022 20 0 "[ . 1 . 2]" 1
428 1 45 ILE MG 1 47 LYS H . . 3.450 3.318 3.191 3.459 0.009 8 0 "[ . 1 . 2]" 1
429 1 45 ILE MG 1 48 VAL QG . . 2.650 1.697 1.613 1.834 . 0 0 "[ . 1 . 2]" 1
430 1 45 ILE MG 1 59 LEU HB3 . . 4.060 2.813 2.314 3.407 . 0 0 "[ . 1 . 2]" 1
431 1 45 ILE MG 1 60 GLN H . . 4.160 3.484 3.261 3.885 . 0 0 "[ . 1 . 2]" 1
432 1 45 ILE MG 1 61 GLU H . . 4.360 3.904 3.486 4.314 . 0 0 "[ . 1 . 2]" 1
433 1 45 ILE MG 1 61 GLU HA . . 3.310 2.628 1.987 3.064 . 0 0 "[ . 1 . 2]" 1
434 1 45 ILE MG 1 61 GLU HG3 . . 3.530 3.273 2.435 3.565 0.035 7 0 "[ . 1 . 2]" 1
435 1 45 ILE MG 1 62 GLY H . . 4.280 3.610 3.211 4.063 . 0 0 "[ . 1 . 2]" 1
436 1 45 ILE MG 1 63 ASP H . . 4.310 4.176 3.914 4.438 0.128 18 0 "[ . 1 . 2]" 1
437 1 46 SER H 1 46 SER HB3 . . 3.830 2.049 2.021 2.109 . 0 0 "[ . 1 . 2]" 1
438 1 46 SER H 1 47 LYS H . . 3.240 2.933 2.647 3.172 . 0 0 "[ . 1 . 2]" 1
439 1 46 SER HB3 1 47 LYS H . . 4.600 3.059 2.867 3.320 . 0 0 "[ . 1 . 2]" 1
440 1 47 LYS H 1 47 LYS HB3 . . 3.840 2.969 2.745 3.287 . 0 0 "[ . 1 . 2]" 1
441 1 47 LYS H 1 48 VAL H . . 4.520 4.374 4.261 4.401 . 0 0 "[ . 1 . 2]" 1
442 1 47 LYS H 1 48 VAL QG . . 4.410 3.768 3.622 4.036 . 0 0 "[ . 1 . 2]" 1
443 1 47 LYS H 1 61 GLU HG3 . . 5.200 4.848 4.210 5.205 0.005 7 0 "[ . 1 . 2]" 1
444 1 47 LYS HA 1 47 LYS HD3 . . 3.910 3.891 2.987 4.696 0.786 14 4 "[ - * +. * 2]" 1
445 1 47 LYS HA 1 47 LYS HG3 . . 3.950 3.139 2.410 3.717 . 0 0 "[ . 1 . 2]" 1
446 1 47 LYS HA 1 48 VAL H . . 2.910 2.379 2.230 2.471 . 0 0 "[ . 1 . 2]" 1
447 1 47 LYS HA 1 61 GLU HG3 . . 4.100 2.545 2.406 2.806 . 0 0 "[ . 1 . 2]" 1
448 1 47 LYS HE3 1 49 ILE MD . . 4.020 4.233 1.793 5.364 1.344 8 8 "[ * *- + * *. * *2]" 1
449 1 47 LYS HG3 1 48 VAL H . . 4.150 3.219 1.901 4.153 0.003 16 0 "[ . 1 . 2]" 1
450 1 48 VAL H 1 48 VAL HB . . 3.330 2.675 2.530 3.530 0.200 7 0 "[ . 1 . 2]" 1
451 1 48 VAL H 1 48 VAL QG . . 3.400 2.845 2.099 2.992 . 0 0 "[ . 1 . 2]" 1
452 1 48 VAL H 1 61 GLU HG3 . . 4.500 3.313 2.995 3.597 . 0 0 "[ . 1 . 2]" 1
453 1 48 VAL HA 1 48 VAL HB . . 2.500 2.984 2.262 3.025 0.525 1 19 "[+***** ******-******]" 1
454 1 48 VAL HA 1 48 VAL QG . . 3.190 2.146 2.066 2.492 . 0 0 "[ . 1 . 2]" 1
455 1 48 VAL HA 1 49 ILE H . . 3.180 2.224 2.194 2.277 . 0 0 "[ . 1 . 2]" 1
456 1 48 VAL HA 1 49 ILE MD . . 4.570 4.271 3.336 4.609 0.039 12 0 "[ . 1 . 2]" 1
457 1 48 VAL HA 1 54 ALA MB . . 4.400 4.078 3.621 4.357 . 0 0 "[ . 1 . 2]" 1
458 1 48 VAL QG 1 49 ILE H . . 3.430 2.528 2.169 2.750 . 0 0 "[ . 1 . 2]" 1
459 1 48 VAL QG 1 52 SER H . . 4.750 4.214 4.086 4.297 . 0 0 "[ . 1 . 2]" 1
460 1 48 VAL QG 1 52 SER HG . . 3.920 2.922 2.538 3.085 . 0 0 "[ . 1 . 2]" 1
461 1 48 VAL QG 1 54 ALA MB . . 3.090 2.179 1.918 2.325 . 0 0 "[ . 1 . 2]" 1
462 1 48 VAL QG 1 55 HIS H . . 3.870 2.844 2.314 3.282 . 0 0 "[ . 1 . 2]" 1
463 1 48 VAL QG 1 55 HIS HA . . 3.210 2.361 1.981 2.548 . 0 0 "[ . 1 . 2]" 1
464 1 48 VAL QG 1 55 HIS HB3 . . 3.340 3.792 3.153 3.896 0.556 13 17 "[-***.* **1**+*******]" 1
465 1 48 VAL QG 1 55 HIS HD2 . . 3.840 3.028 1.950 3.807 . 0 0 "[ . 1 . 2]" 1
466 1 48 VAL QG 1 59 LEU H . . 5.360 3.858 3.679 4.084 . 0 0 "[ . 1 . 2]" 1
467 1 48 VAL QG 1 59 LEU HA . . 4.390 4.107 3.882 4.242 . 0 0 "[ . 1 . 2]" 1
468 1 48 VAL QG 1 59 LEU HB3 . . 3.910 2.161 1.922 2.438 . 0 0 "[ . 1 . 2]" 1
469 1 48 VAL QG 1 60 GLN H . . 4.500 3.701 3.405 3.953 . 0 0 "[ . 1 . 2]" 1
470 1 48 VAL QG 1 60 GLN HA . . 3.420 3.212 2.529 3.363 . 0 0 "[ . 1 . 2]" 1
471 1 48 VAL QG 1 61 GLU H . . 3.690 3.568 3.364 3.663 . 0 0 "[ . 1 . 2]" 1
472 1 48 VAL QG 1 61 GLU HA . . 4.130 3.567 3.290 3.772 . 0 0 "[ . 1 . 2]" 1
473 1 49 ILE H 1 49 ILE HB . . 3.260 2.390 2.288 2.495 . 0 0 "[ . 1 . 2]" 1
474 1 49 ILE H 1 49 ILE MD . . 3.950 3.210 2.481 3.492 . 0 0 "[ . 1 . 2]" 1
475 1 49 ILE H 1 49 ILE HG13 . . 3.600 3.524 3.407 3.660 0.060 5 0 "[ . 1 . 2]" 1
476 1 49 ILE H 1 49 ILE MG . . 3.920 3.703 3.675 3.715 . 0 0 "[ . 1 . 2]" 1
477 1 49 ILE H 1 52 SER H . . 5.390 5.296 5.158 5.402 0.012 7 0 "[ . 1 . 2]" 1
478 1 49 ILE H 1 52 SER HG . . 4.520 3.512 3.134 4.046 . 0 0 "[ . 1 . 2]" 1
479 1 49 ILE HA 1 49 ILE MD . . 3.310 2.091 1.909 2.240 . 0 0 "[ . 1 . 2]" 1
480 1 49 ILE HA 1 49 ILE HG13 . . 3.710 3.702 3.593 3.753 0.043 18 0 "[ . 1 . 2]" 1
481 1 49 ILE HA 1 49 ILE MG . . 3.170 2.395 2.283 2.480 . 0 0 "[ . 1 . 2]" 1
482 1 49 ILE HA 1 50 PRO HD3 . . 2.840 1.925 1.913 1.947 . 0 0 "[ . 1 . 2]" 1
483 1 49 ILE HB 1 49 ILE MD . . 3.630 3.199 3.168 3.211 . 0 0 "[ . 1 . 2]" 1
484 1 49 ILE HB 1 52 SER H . . 4.560 4.012 3.859 4.129 . 0 0 "[ . 1 . 2]" 1
485 1 49 ILE HB 1 52 SER HB3 . . 4.070 2.060 1.978 2.399 . 0 0 "[ . 1 . 2]" 1
486 1 49 ILE HB 1 52 SER HG . . 4.000 2.794 2.274 3.424 . 0 0 "[ . 1 . 2]" 1
487 1 49 ILE MD 1 49 ILE MG . . 2.980 1.997 1.875 2.445 . 0 0 "[ . 1 . 2]" 1
488 1 49 ILE MD 1 50 PRO HD3 . . 4.280 3.166 2.985 3.315 . 0 0 "[ . 1 . 2]" 1
489 1 49 ILE HG13 1 49 ILE MG . . 3.390 2.367 2.093 2.491 . 0 0 "[ . 1 . 2]" 1
490 1 49 ILE MG 1 50 PRO HD3 . . 3.670 3.189 3.138 3.334 . 0 0 "[ . 1 . 2]" 1
491 1 49 ILE MG 1 51 ASP H . . 4.300 2.816 2.502 3.027 . 0 0 "[ . 1 . 2]" 1
492 1 49 ILE MG 1 52 SER H . . 4.370 3.653 3.231 4.048 . 0 0 "[ . 1 . 2]" 1
493 1 49 ILE MG 1 52 SER HA . . 4.320 3.832 3.533 4.339 0.019 10 0 "[ . 1 . 2]" 1
494 1 49 ILE MG 1 52 SER HG . . 4.430 3.645 3.284 4.460 0.030 7 0 "[ . 1 . 2]" 1
495 1 50 PRO HA 1 51 ASP H . . 3.160 2.616 2.572 2.663 . 0 0 "[ . 1 . 2]" 1
496 1 50 PRO HA 1 51 ASP HA . . 4.120 4.188 4.181 4.198 0.078 16 0 "[ . 1 . 2]" 1
497 1 50 PRO HA 1 52 SER H . . 4.420 4.184 4.008 4.330 . 0 0 "[ . 1 . 2]" 1
498 1 50 PRO HA 1 55 HIS HB3 . . 4.200 4.153 3.128 4.489 0.289 13 0 "[ . 1 . 2]" 1
499 1 50 PRO HA 1 55 HIS HE1 . . 4.550 3.024 2.477 3.760 . 0 0 "[ . 1 . 2]" 1
500 1 50 PRO HB3 1 51 ASP H . . 4.530 4.716 4.701 4.730 0.200 10 0 "[ . 1 . 2]" 1
501 1 51 ASP H 1 52 SER H . . 3.850 1.906 1.865 2.005 . 0 0 "[ . 1 . 2]" 1
502 1 51 ASP H 1 55 HIS HE1 . . 4.820 4.860 4.797 4.887 0.067 8 0 "[ . 1 . 2]" 1
503 1 52 SER H 1 52 SER HG . . 3.420 2.211 1.954 2.901 . 0 0 "[ . 1 . 2]" 1
504 1 52 SER H 1 54 ALA H . . 5.150 4.658 4.462 4.853 . 0 0 "[ . 1 . 2]" 1
505 1 52 SER H 1 55 HIS H . . 4.280 3.239 3.026 3.411 . 0 0 "[ . 1 . 2]" 1
506 1 52 SER H 1 55 HIS HB3 . . 3.720 2.378 1.928 3.398 . 0 0 "[ . 1 . 2]" 1
507 1 52 SER H 1 56 ARG H . . 5.100 4.177 3.172 4.550 . 0 0 "[ . 1 . 2]" 1
508 1 52 SER HA 1 53 ASP H . . 3.550 2.744 2.585 2.836 . 0 0 "[ . 1 . 2]" 1
509 1 52 SER HB3 1 54 ALA H . . 3.800 4.272 4.127 4.418 0.618 3 7 "[* + .** 1 * . * -]" 1
510 1 52 SER HB3 1 55 HIS H . . 4.520 4.423 4.307 4.684 0.164 7 0 "[ . 1 . 2]" 1
511 1 52 SER HG 1 54 ALA MB . . 4.660 3.293 2.238 3.817 . 0 0 "[ . 1 . 2]" 1
512 1 52 SER HG 1 55 HIS H . . 3.680 2.271 1.937 2.786 . 0 0 "[ . 1 . 2]" 1
513 1 52 SER HG 1 55 HIS HA . . 4.540 4.273 3.983 4.574 0.034 7 0 "[ . 1 . 2]" 1
514 1 52 SER HG 1 55 HIS HB3 . . 4.210 3.284 2.212 3.885 . 0 0 "[ . 1 . 2]" 1
515 1 53 ASP H 1 53 ASP HB3 . . 3.940 3.490 2.711 3.573 . 0 0 "[ . 1 . 2]" 1
516 1 53 ASP H 1 54 ALA H . . 3.610 2.467 2.278 2.793 . 0 0 "[ . 1 . 2]" 1
517 1 53 ASP H 1 54 ALA MB . . 5.210 4.024 3.919 4.286 . 0 0 "[ . 1 . 2]" 1
518 1 53 ASP H 1 55 HIS H . . 4.960 4.151 3.892 4.931 . 0 0 "[ . 1 . 2]" 1
519 1 53 ASP HA 1 56 ARG H . . 4.030 3.442 3.013 3.790 . 0 0 "[ . 1 . 2]" 1
520 1 53 ASP HA 1 57 ALA H . . 4.700 3.954 3.577 4.196 . 0 0 "[ . 1 . 2]" 1
521 1 53 ASP HB3 1 54 ALA H . . 4.080 3.775 2.639 4.020 . 0 0 "[ . 1 . 2]" 1
522 1 54 ALA H 1 54 ALA MB . . 3.000 2.030 1.943 2.163 . 0 0 "[ . 1 . 2]" 1
523 1 54 ALA H 1 55 HIS H . . 3.670 2.655 2.514 3.023 . 0 0 "[ . 1 . 2]" 1
524 1 54 ALA H 1 59 LEU QD . . 5.130 4.312 4.109 4.966 . 0 0 "[ . 1 . 2]" 1
525 1 54 ALA HA 1 57 ALA H . . 4.010 3.050 2.748 3.329 . 0 0 "[ . 1 . 2]" 1
526 1 54 ALA HA 1 57 ALA MB . . 3.380 2.067 1.911 2.432 . 0 0 "[ . 1 . 2]" 1
527 1 54 ALA HA 1 59 LEU H . . 4.580 4.103 3.691 4.620 0.040 7 0 "[ . 1 . 2]" 1
528 1 54 ALA HA 1 59 LEU QD . . 3.670 2.651 2.335 3.021 . 0 0 "[ . 1 . 2]" 1
529 1 54 ALA MB 1 55 HIS H . . 3.440 2.626 2.241 2.968 . 0 0 "[ . 1 . 2]" 1
530 1 54 ALA MB 1 59 LEU HB3 . . 4.200 2.993 2.552 3.678 . 0 0 "[ . 1 . 2]" 1
531 1 54 ALA MB 1 59 LEU QD . . 3.110 1.809 1.678 2.477 . 0 0 "[ . 1 . 2]" 1
532 1 55 HIS H 1 55 HIS HB3 . . 3.430 2.724 2.308 3.156 . 0 0 "[ . 1 . 2]" 1
533 1 55 HIS H 1 56 ARG H . . 3.550 2.746 2.266 3.003 . 0 0 "[ . 1 . 2]" 1
534 1 55 HIS HA 1 55 HIS HD2 . . 3.680 2.279 2.010 2.851 . 0 0 "[ . 1 . 2]" 1
535 1 55 HIS HA 1 56 ARG HA . . 4.560 4.620 4.552 4.749 0.189 7 0 "[ . 1 . 2]" 1
536 1 55 HIS HA 1 57 ALA H . . 4.970 4.590 3.987 4.813 . 0 0 "[ . 1 . 2]" 1
537 1 55 HIS HA 1 58 GLY H . . 4.360 3.935 3.542 4.109 . 0 0 "[ . 1 . 2]" 1
538 1 55 HIS HA 1 59 LEU H . . 4.050 3.417 2.529 4.064 0.014 19 0 "[ . 1 . 2]" 1
539 1 55 HIS HB3 1 56 ARG H . . 4.230 2.889 2.580 3.313 . 0 0 "[ . 1 . 2]" 1
540 1 56 ARG H 1 56 ARG HD3 . . 5.120 4.028 2.529 5.127 0.007 1 0 "[ . 1 . 2]" 1
541 1 56 ARG H 1 56 ARG HG3 . . 4.180 2.930 2.552 3.344 . 0 0 "[ . 1 . 2]" 1
542 1 56 ARG H 1 57 ALA H . . 3.340 2.347 2.107 2.681 . 0 0 "[ . 1 . 2]" 1
543 1 56 ARG H 1 58 GLY H . . 5.080 3.886 3.686 4.118 . 0 0 "[ . 1 . 2]" 1
544 1 56 ARG HA 1 56 ARG HB3 . . 3.010 2.598 2.501 2.751 . 0 0 "[ . 1 . 2]" 1
545 1 56 ARG HA 1 56 ARG HD3 . . 4.020 4.006 3.831 4.145 0.125 8 0 "[ . 1 . 2]" 1
546 1 56 ARG HA 1 56 ARG HG3 . . 3.310 2.870 2.088 3.583 0.273 8 0 "[ . 1 . 2]" 1
547 1 56 ARG HA 1 58 GLY H . . 4.300 3.720 3.406 4.315 0.015 8 0 "[ . 1 . 2]" 1
548 1 56 ARG HB3 1 56 ARG HD3 . . 3.300 3.155 2.942 3.409 0.109 8 0 "[ . 1 . 2]" 1
549 1 57 ALA H 1 57 ALA MB . . 2.980 2.084 1.949 2.184 . 0 0 "[ . 1 . 2]" 1
550 1 57 ALA H 1 58 GLY H . . 3.460 2.755 2.433 2.923 . 0 0 "[ . 1 . 2]" 1
551 1 57 ALA H 1 58 GLY HA3 . . 5.120 5.325 5.055 5.424 0.304 13 0 "[ . 1 . 2]" 1
552 1 57 ALA H 1 59 LEU H . . 4.790 4.025 3.356 4.360 . 0 0 "[ . 1 . 2]" 1
553 1 57 ALA H 1 59 LEU QD . . 5.210 4.628 4.097 5.033 . 0 0 "[ . 1 . 2]" 1
554 1 57 ALA MB 1 58 GLY H . . 3.920 2.876 2.478 3.273 . 0 0 "[ . 1 . 2]" 1
555 1 57 ALA MB 1 59 LEU H . . 4.200 3.251 2.679 3.537 . 0 0 "[ . 1 . 2]" 1
556 1 57 ALA MB 1 59 LEU QD . . 4.070 2.781 2.127 3.177 . 0 0 "[ . 1 . 2]" 1
557 1 58 GLY H 1 59 LEU H . . 3.390 1.980 1.892 2.477 . 0 0 "[ . 1 . 2]" 1
558 1 58 GLY H 1 59 LEU HB3 . . 5.270 5.168 4.973 5.323 0.053 13 0 "[ . 1 . 2]" 1
559 1 59 LEU H 1 59 LEU HB3 . . 3.820 3.309 2.977 3.491 . 0 0 "[ . 1 . 2]" 1
560 1 59 LEU H 1 59 LEU QD . . 4.000 3.110 2.590 3.557 . 0 0 "[ . 1 . 2]" 1
561 1 59 LEU H 1 59 LEU HG . . 3.560 4.028 2.949 4.606 1.046 8 13 "[* ****-+ ** .* ***]" 1
562 1 59 LEU H 1 60 GLN H . . 4.880 4.599 4.540 4.649 . 0 0 "[ . 1 . 2]" 1
563 1 59 LEU HA 1 59 LEU QD . . 3.130 1.994 1.929 2.157 . 0 0 "[ . 1 . 2]" 1
564 1 59 LEU HA 1 59 LEU HG . . 4.190 2.722 2.516 2.885 . 0 0 "[ . 1 . 2]" 1
565 1 59 LEU HA 1 60 GLN H . . 2.950 2.274 2.236 2.348 . 0 0 "[ . 1 . 2]" 1
566 1 59 LEU HB3 1 59 LEU QD . . 3.240 2.273 2.069 2.437 . 0 0 "[ . 1 . 2]" 1
567 1 59 LEU HB3 1 60 GLN H . . 4.150 3.233 2.830 3.675 . 0 0 "[ . 1 . 2]" 1
568 1 59 LEU QD 1 60 GLN H . . 3.940 3.202 2.696 3.702 . 0 0 "[ . 1 . 2]" 1
569 1 59 LEU QD 1 95 VAL QG . . 2.930 2.590 2.384 2.936 0.006 6 0 "[ . 1 . 2]" 1
570 1 59 LEU HG 1 60 GLN H . . 4.680 3.797 2.896 4.732 0.052 14 0 "[ . 1 . 2]" 1
571 1 60 GLN H 1 60 GLN HB3 . . 4.060 3.490 3.166 3.830 . 0 0 "[ . 1 . 2]" 1
572 1 60 GLN HA 1 61 GLU H . . 3.080 2.298 2.233 2.608 . 0 0 "[ . 1 . 2]" 1
573 1 60 GLN HA 1 61 GLU HA . . 4.380 4.275 4.261 4.292 . 0 0 "[ . 1 . 2]" 1
574 1 60 GLN HB3 1 61 GLU H . . 3.990 3.741 2.268 4.248 0.258 10 0 "[ . 1 . 2]" 1
575 1 61 GLU H 1 61 GLU HB3 . . 3.110 3.432 3.414 3.464 0.354 9 0 "[ . 1 . 2]" 1
576 1 61 GLU H 1 61 GLU HG3 . . 4.280 2.918 2.753 3.142 . 0 0 "[ . 1 . 2]" 1
577 1 61 GLU HA 1 61 GLU HG3 . . 3.960 2.630 2.105 2.738 . 0 0 "[ . 1 . 2]" 1
578 1 61 GLU HA 1 62 GLY H . . 2.930 2.220 2.202 2.239 . 0 0 "[ . 1 . 2]" 1
579 1 61 GLU HA 1 63 ASP H . . 4.140 3.813 3.384 4.163 0.023 16 0 "[ . 1 . 2]" 1
580 1 61 GLU HB3 1 62 GLY H . . 4.760 3.906 3.666 4.026 . 0 0 "[ . 1 . 2]" 1
581 1 61 GLU HG3 1 62 GLY H . . 4.860 4.800 4.115 4.880 0.020 5 0 "[ . 1 . 2]" 1
582 1 62 GLY H 1 63 ASP H . . 3.680 2.170 1.897 2.671 . 0 0 "[ . 1 . 2]" 1
583 1 63 ASP H 1 63 ASP HB3 . . 3.870 3.442 3.316 3.533 . 0 0 "[ . 1 . 2]" 1
584 1 63 ASP HA 1 64 GLN H . . 3.300 2.276 2.252 2.323 . 0 0 "[ . 1 . 2]" 1
585 1 63 ASP HA 1 95 VAL HB . . 4.730 4.045 3.593 4.419 . 0 0 "[ . 1 . 2]" 1
586 1 63 ASP HB3 1 64 GLN H . . 4.300 3.740 3.100 3.993 . 0 0 "[ . 1 . 2]" 1
587 1 63 ASP HB3 1 95 VAL HB . . 3.470 2.731 2.659 2.944 . 0 0 "[ . 1 . 2]" 1
588 1 63 ASP HB3 1 95 VAL QG . . 3.380 2.505 2.101 2.768 . 0 0 "[ . 1 . 2]" 1
589 1 64 GLN H 1 64 GLN HB3 . . 3.950 2.235 2.187 2.322 . 0 0 "[ . 1 . 2]" 1
590 1 64 GLN H 1 64 GLN HG3 . . 4.590 4.350 4.323 4.413 . 0 0 "[ . 1 . 2]" 1
591 1 64 GLN H 1 95 VAL HA . . 4.950 4.769 4.154 5.000 0.050 7 0 "[ . 1 . 2]" 1
592 1 64 GLN H 1 95 VAL QG . . 4.830 4.178 3.466 4.562 . 0 0 "[ . 1 . 2]" 1
593 1 64 GLN H 1 96 ARG H . . 3.910 3.395 2.962 3.786 . 0 0 "[ . 1 . 2]" 1
594 1 64 GLN H 1 98 PHE H . . 5.000 3.961 3.228 5.319 0.319 10 0 "[ . 1 . 2]" 1
595 1 64 GLN HA 1 64 GLN HG3 . . 3.920 2.682 2.607 2.750 . 0 0 "[ . 1 . 2]" 1
596 1 64 GLN HA 1 65 VAL H . . 3.230 2.257 2.214 2.358 . 0 0 "[ . 1 . 2]" 1
597 1 64 GLN HA 1 65 VAL MG2 . . 4.240 3.387 3.145 3.705 . 0 0 "[ . 1 . 2]" 1
598 1 64 GLN HB3 1 65 VAL H . . 4.420 4.335 4.126 4.446 0.026 15 0 "[ . 1 . 2]" 1
599 1 64 GLN HE21 1 66 LEU QD . . 4.140 3.343 2.965 3.788 . 0 0 "[ . 1 . 2]" 1
600 1 64 GLN HE21 1 74 GLN HG3 . . 4.730 5.030 4.090 5.532 0.802 5 7 "[* + * * *- * 2]" 1
601 1 64 GLN HE22 1 66 LEU QD . . 4.660 4.034 3.664 4.129 . 0 0 "[ . 1 . 2]" 1
602 1 64 GLN HG3 1 65 VAL H . . 3.960 2.338 1.939 2.597 . 0 0 "[ . 1 . 2]" 1
603 1 64 GLN HG3 1 65 VAL HA . . 4.000 4.024 3.978 4.074 0.074 6 0 "[ . 1 . 2]" 1
604 1 65 VAL H 1 65 VAL HB . . 3.460 2.491 2.352 2.591 . 0 0 "[ . 1 . 2]" 1
605 1 65 VAL H 1 65 VAL MG1 . . 4.370 3.762 3.718 3.812 . 0 0 "[ . 1 . 2]" 1
606 1 65 VAL H 1 65 VAL MG2 . . 3.350 2.328 1.923 2.688 . 0 0 "[ . 1 . 2]" 1
607 1 65 VAL H 1 66 LEU H . . 5.170 4.172 3.979 4.383 . 0 0 "[ . 1 . 2]" 1
608 1 65 VAL HA 1 65 VAL MG1 . . 3.290 2.334 2.232 2.469 . 0 0 "[ . 1 . 2]" 1
609 1 65 VAL HA 1 65 VAL MG2 . . 3.280 2.436 2.238 2.565 . 0 0 "[ . 1 . 2]" 1
610 1 65 VAL HA 1 66 LEU H . . 3.060 2.239 2.188 2.300 . 0 0 "[ . 1 . 2]" 1
611 1 65 VAL HA 1 67 ALA H . . 4.230 4.254 4.225 4.275 0.045 7 0 "[ . 1 . 2]" 1
612 1 65 VAL HA 1 68 VAL QG . . 4.460 4.298 4.164 4.447 . 0 0 "[ . 1 . 2]" 1
613 1 65 VAL HA 1 93 MET ME . . 4.480 4.278 3.915 4.581 0.101 13 0 "[ . 1 . 2]" 1
614 1 65 VAL HA 1 95 VAL HA . . 3.600 2.922 2.703 3.081 . 0 0 "[ . 1 . 2]" 1
615 1 65 VAL HA 1 95 VAL QG . . 3.120 2.114 1.965 2.422 . 0 0 "[ . 1 . 2]" 1
616 1 65 VAL HA 1 96 ARG H . . 4.840 4.812 4.580 4.893 0.053 20 0 "[ . 1 . 2]" 1
617 1 65 VAL HB 1 66 LEU H . . 5.260 4.483 4.331 4.576 . 0 0 "[ . 1 . 2]" 1
618 1 65 VAL HB 1 73 PHE QD . . 3.720 2.598 2.273 2.754 . 0 0 "[ . 1 . 2]" 1
619 1 65 VAL HB 1 73 PHE QE . . 4.450 4.406 4.172 4.492 0.042 13 0 "[ . 1 . 2]" 1
620 1 65 VAL MG1 1 66 LEU H . . 3.750 3.347 2.968 3.613 . 0 0 "[ . 1 . 2]" 1
621 1 65 VAL MG1 1 67 ALA H . . 3.660 3.360 3.206 3.522 . 0 0 "[ . 1 . 2]" 1
622 1 65 VAL MG1 1 68 VAL QG . . 2.890 1.750 1.652 1.877 . 0 0 "[ . 1 . 2]" 1
623 1 65 VAL MG1 1 73 PHE HB3 . . 4.050 3.256 2.383 3.778 . 0 0 "[ . 1 . 2]" 1
624 1 65 VAL MG1 1 73 PHE QD . . 3.370 2.557 1.983 3.023 . 0 0 "[ . 1 . 2]" 1
625 1 65 VAL MG1 1 73 PHE QE . . 4.570 3.347 3.046 3.723 . 0 0 "[ . 1 . 2]" 1
626 1 65 VAL MG1 1 93 MET HB3 . . 4.200 2.905 2.504 3.526 . 0 0 "[ . 1 . 2]" 1
627 1 65 VAL MG1 1 93 MET ME . . 2.720 2.196 1.924 2.507 . 0 0 "[ . 1 . 2]" 1
628 1 65 VAL MG1 1 93 MET HG3 . . 4.220 2.906 1.978 4.004 . 0 0 "[ . 1 . 2]" 1
629 1 65 VAL MG1 1 94 ARG H . . 5.460 3.379 2.783 3.779 . 0 0 "[ . 1 . 2]" 1
630 1 65 VAL MG2 1 66 LEU H . . 4.410 4.313 4.219 4.377 . 0 0 "[ . 1 . 2]" 1
631 1 65 VAL MG2 1 68 VAL QG . . 4.480 3.468 3.186 3.717 . 0 0 "[ . 1 . 2]" 1
632 1 65 VAL MG2 1 73 PHE QD . . 4.070 3.600 3.311 3.926 . 0 0 "[ . 1 . 2]" 1
633 1 65 VAL MG2 1 93 MET HB3 . . 4.370 4.590 3.788 4.995 0.625 6 2 "[ .+ 1- . 2]" 1
634 1 65 VAL MG2 1 93 MET ME . . 2.910 2.040 1.863 2.288 . 0 0 "[ . 1 . 2]" 1
635 1 66 LEU H 1 66 LEU QD . . 3.850 2.842 1.764 3.261 . 0 0 "[ . 1 . 2]" 1
636 1 66 LEU H 1 66 LEU HG . . 3.590 2.391 1.948 3.742 0.152 6 0 "[ . 1 . 2]" 1
637 1 66 LEU H 1 67 ALA H . . 3.230 2.944 2.686 3.159 . 0 0 "[ . 1 . 2]" 1
638 1 66 LEU H 1 95 VAL HA . . 3.490 2.702 2.259 2.917 . 0 0 "[ . 1 . 2]" 1
639 1 66 LEU H 1 96 ARG H . . 4.750 4.628 4.297 4.788 0.038 12 0 "[ . 1 . 2]" 1
640 1 66 LEU HA 1 66 LEU QD . . 2.930 1.978 1.932 2.114 . 0 0 "[ . 1 . 2]" 1
641 1 66 LEU HA 1 66 LEU HG . . 3.890 3.177 2.885 3.732 . 0 0 "[ . 1 . 2]" 1
642 1 66 LEU HA 1 73 PHE H . . 4.740 4.450 4.145 4.763 0.023 6 0 "[ . 1 . 2]" 1
643 1 66 LEU HA 1 74 GLN HG3 . . 4.340 3.691 3.069 4.259 . 0 0 "[ . 1 . 2]" 1
644 1 66 LEU HB3 1 67 ALA MB . . 4.470 3.643 3.357 3.903 . 0 0 "[ . 1 . 2]" 1
645 1 66 LEU QD 1 67 ALA H . . 4.720 3.825 3.517 3.952 . 0 0 "[ . 1 . 2]" 1
646 1 66 LEU QD 1 74 GLN HG3 . . 3.430 3.827 3.448 3.998 0.568 16 6 "[ - . * * *+ * 2]" 1
647 1 66 LEU QD 1 95 VAL HA . . 4.280 3.280 1.757 3.841 . 0 0 "[ . 1 . 2]" 1
648 1 66 LEU QD 1 96 ARG H . . 4.780 3.663 2.580 4.365 . 0 0 "[ . 1 . 2]" 1
649 1 66 LEU QD 1 96 ARG HB3 . . 3.910 2.819 2.310 3.478 . 0 0 "[ . 1 . 2]" 1
650 1 66 LEU QD 1 96 ARG HD3 . . 3.710 3.238 2.183 4.178 0.468 7 0 "[ . 1 . 2]" 1
651 1 66 LEU HG 1 95 VAL HA . . 3.880 3.211 2.667 4.271 0.391 12 0 "[ . 1 . 2]" 1
652 1 66 LEU HG 1 96 ARG H . . 3.920 4.129 3.634 5.129 1.209 12 3 "[ .- 1*+ . 2]" 1
653 1 67 ALA H 1 67 ALA MB . . 3.530 2.509 2.424 2.630 . 0 0 "[ . 1 . 2]" 1
654 1 67 ALA H 1 68 VAL H . . 4.800 4.413 4.322 4.442 . 0 0 "[ . 1 . 2]" 1
655 1 67 ALA H 1 68 VAL QG . . 4.570 3.916 3.652 4.175 . 0 0 "[ . 1 . 2]" 1
656 1 67 ALA H 1 73 PHE H . . 5.410 4.581 4.305 4.997 . 0 0 "[ . 1 . 2]" 1
657 1 67 ALA H 1 93 MET HA . . 4.670 4.402 4.108 4.666 . 0 0 "[ . 1 . 2]" 1
658 1 67 ALA H 1 94 ARG H . . 3.760 2.401 2.267 2.573 . 0 0 "[ . 1 . 2]" 1
659 1 67 ALA H 1 94 ARG HB3 . . 4.190 3.007 2.435 3.339 . 0 0 "[ . 1 . 2]" 1
660 1 67 ALA HA 1 68 VAL H . . 3.480 2.413 2.257 2.538 . 0 0 "[ . 1 . 2]" 1
661 1 67 ALA HA 1 73 PHE H . . 3.750 2.226 1.944 2.738 . 0 0 "[ . 1 . 2]" 1
662 1 67 ALA MB 1 68 VAL H . . 3.320 2.590 2.329 2.970 . 0 0 "[ . 1 . 2]" 1
663 1 67 ALA MB 1 70 ASP H . . 4.030 3.311 3.116 3.615 . 0 0 "[ . 1 . 2]" 1
664 1 67 ALA MB 1 70 ASP HA . . 3.860 3.404 2.918 3.673 . 0 0 "[ . 1 . 2]" 1
665 1 67 ALA MB 1 71 VAL H . . 4.640 4.036 2.642 4.585 . 0 0 "[ . 1 . 2]" 1
666 1 67 ALA MB 1 72 ASP HA . . 3.490 2.331 1.964 3.003 . 0 0 "[ . 1 . 2]" 1
667 1 67 ALA MB 1 73 PHE H . . 3.900 3.334 2.993 3.694 . 0 0 "[ . 1 . 2]" 1
668 1 67 ALA MB 1 73 PHE HB3 . . 4.730 5.556 5.194 6.050 1.320 20 18 "[***** *********-* *+]" 1
669 1 67 ALA MB 1 94 ARG H . . 3.760 3.508 3.361 3.795 0.035 20 0 "[ . 1 . 2]" 1
670 1 67 ALA MB 1 94 ARG HB3 . . 3.830 3.757 3.329 4.065 0.235 20 0 "[ . 1 . 2]" 1
671 1 68 VAL H 1 68 VAL HB . . 3.720 2.660 2.425 3.839 0.119 20 0 "[ . 1 . 2]" 1
672 1 68 VAL H 1 68 VAL QG . . 4.070 2.918 2.144 3.146 . 0 0 "[ . 1 . 2]" 1
673 1 68 VAL H 1 69 ASN H . . 5.240 4.104 3.949 4.313 . 0 0 "[ . 1 . 2]" 1
674 1 68 VAL H 1 71 VAL H . . 4.040 3.655 2.102 4.078 0.038 13 0 "[ . 1 . 2]" 1
675 1 68 VAL H 1 71 VAL HB . . 4.190 3.358 2.237 3.907 . 0 0 "[ . 1 . 2]" 1
676 1 68 VAL H 1 71 VAL MG1 . . 4.460 4.112 3.571 4.491 0.031 16 0 "[ . 1 . 2]" 1
677 1 68 VAL H 1 73 PHE H . . 4.750 4.021 3.684 4.456 . 0 0 "[ . 1 . 2]" 1
678 1 68 VAL H 1 73 PHE QD . . 4.310 3.239 2.848 3.541 . 0 0 "[ . 1 . 2]" 1
679 1 68 VAL HA 1 68 VAL QG . . 3.260 2.123 2.034 2.572 . 0 0 "[ . 1 . 2]" 1
680 1 68 VAL HA 1 69 ASN H . . 3.180 2.197 2.183 2.224 . 0 0 "[ . 1 . 2]" 1
681 1 68 VAL HA 1 69 ASN HA . . 4.370 4.300 4.288 4.309 . 0 0 "[ . 1 . 2]" 1
682 1 68 VAL HA 1 92 SER H . . 4.540 4.304 3.940 4.597 0.057 6 0 "[ . 1 . 2]" 1
683 1 68 VAL HA 1 93 MET HA . . 3.370 1.983 1.836 2.092 . 0 0 "[ . 1 . 2]" 1
684 1 68 VAL HA 1 94 ARG H . . 4.250 3.623 3.341 3.819 . 0 0 "[ . 1 . 2]" 1
685 1 68 VAL HB 1 69 ASN H . . 5.100 4.441 3.427 4.615 . 0 0 "[ . 1 . 2]" 1
686 1 68 VAL HB 1 71 VAL HB . . 4.300 3.622 2.993 4.568 0.268 20 0 "[ . 1 . 2]" 1
687 1 68 VAL HB 1 73 PHE QD . . 3.610 3.065 2.762 5.167 1.557 20 1 "[ . 1 . +]" 1
688 1 68 VAL HB 1 73 PHE QE . . 4.410 2.545 2.261 3.912 . 0 0 "[ . 1 . 2]" 1
689 1 68 VAL HB 1 73 PHE HZ . . 4.280 3.470 3.090 4.378 0.098 20 0 "[ . 1 . 2]" 1
690 1 68 VAL HB 1 84 ILE MG . . 3.680 3.271 2.923 3.781 0.101 20 0 "[ . 1 . 2]" 1
691 1 68 VAL QG 1 69 ASN H . . 3.590 2.995 2.264 3.287 . 0 0 "[ . 1 . 2]" 1
692 1 68 VAL QG 1 69 ASN HD21 . . 4.550 2.308 1.896 3.112 . 0 0 "[ . 1 . 2]" 1
693 1 68 VAL QG 1 69 ASN HD22 . . 4.320 3.285 1.821 4.525 0.205 16 0 "[ . 1 . 2]" 1
694 1 68 VAL QG 1 73 PHE QD . . 3.270 2.648 2.352 2.751 . 0 0 "[ . 1 . 2]" 1
695 1 68 VAL QG 1 73 PHE QE . . 4.260 2.491 1.713 2.632 . 0 0 "[ . 1 . 2]" 1
696 1 68 VAL QG 1 73 PHE HZ . . 4.050 2.637 2.143 2.776 . 0 0 "[ . 1 . 2]" 1
697 1 68 VAL QG 1 84 ILE MG . . 2.850 2.052 1.631 2.375 . 0 0 "[ . 1 . 2]" 1
698 1 68 VAL QG 1 85 LEU HA . . 4.170 3.330 2.942 3.801 . 0 0 "[ . 1 . 2]" 1
699 1 68 VAL QG 1 85 LEU MD1 . . 4.310 3.294 3.089 3.920 . 0 0 "[ . 1 . 2]" 1
700 1 68 VAL QG 1 85 LEU MD2 . . 2.970 1.936 1.688 2.694 . 0 0 "[ . 1 . 2]" 1
701 1 68 VAL QG 1 85 LEU HG . . 3.960 2.727 2.405 3.270 . 0 0 "[ . 1 . 2]" 1
702 1 68 VAL QG 1 88 ALA MB . . 4.190 3.603 3.281 3.835 . 0 0 "[ . 1 . 2]" 1
703 1 68 VAL QG 1 91 ILE HA . . 3.910 3.797 3.560 3.926 0.016 20 0 "[ . 1 . 2]" 1
704 1 68 VAL QG 1 91 ILE MG . . 3.000 2.825 2.547 2.935 . 0 0 "[ . 1 . 2]" 1
705 1 68 VAL QG 1 92 SER H . . 4.100 3.260 2.910 3.887 . 0 0 "[ . 1 . 2]" 1
706 1 68 VAL QG 1 93 MET HA . . 3.980 3.007 2.554 3.297 . 0 0 "[ . 1 . 2]" 1
707 1 68 VAL QG 1 93 MET HB3 . . 3.870 1.847 1.730 1.952 . 0 0 "[ . 1 . 2]" 1
708 1 68 VAL QG 1 93 MET ME . . 3.650 2.643 1.910 3.484 . 0 0 "[ . 1 . 2]" 1
709 1 68 VAL QG 1 93 MET HG3 . . 3.610 3.613 3.145 4.171 0.561 16 1 "[ . 1 .+ 2]" 1
710 1 68 VAL QG 1 94 ARG H . . 4.470 3.558 3.273 3.837 . 0 0 "[ . 1 . 2]" 1
711 1 68 VAL O 1 70 ASP H . . 2.100 3.402 1.926 3.823 1.723 12 19 "[***********+*** ***-]" 1
712 1 69 ASN H 1 70 ASP H . . 3.850 2.803 2.469 3.454 . 0 0 "[ . 1 . 2]" 1
713 1 69 ASN H 1 92 SER H . . 4.460 3.423 2.701 3.941 . 0 0 "[ . 1 . 2]" 1
714 1 69 ASN H 1 93 MET HA . . 4.340 2.643 2.114 3.480 . 0 0 "[ . 1 . 2]" 1
715 1 69 ASN HA 1 70 ASP H . . 3.610 2.857 2.707 3.645 0.035 16 0 "[ . 1 . 2]" 1
716 1 69 ASN HD21 1 88 ALA MB . . 3.520 2.808 2.198 3.605 0.085 18 0 "[ . 1 . 2]" 1
717 1 69 ASN HD21 1 91 ILE HA . . 3.650 3.350 2.557 3.633 . 0 0 "[ . 1 . 2]" 1
718 1 69 ASN HD21 1 91 ILE MG . . 5.120 4.105 3.630 4.430 . 0 0 "[ . 1 . 2]" 1
719 1 69 ASN HD21 1 92 SER H . . 4.450 3.177 2.023 3.761 . 0 0 "[ . 1 . 2]" 1
720 1 69 ASN HD22 1 88 ALA MB . . 3.640 2.482 1.792 2.931 . 0 0 "[ . 1 . 2]" 1
721 1 69 ASN HD22 1 91 ILE HA . . 4.310 2.311 1.946 3.887 . 0 0 "[ . 1 . 2]" 1
722 1 70 ASP H 1 71 VAL H . . 2.100 3.123 2.064 3.474 1.374 17 15 "[* *** ******-** + *2]" 1
723 1 71 VAL H 1 71 VAL HB . . 3.390 2.528 2.421 2.621 . 0 0 "[ . 1 . 2]" 1
724 1 71 VAL H 1 71 VAL MG2 . . 3.130 2.102 1.882 2.646 . 0 0 "[ . 1 . 2]" 1
725 1 71 VAL HA 1 71 VAL HB . . 2.700 3.024 3.020 3.026 0.326 3 0 "[ . 1 . 2]" 1
726 1 71 VAL HA 1 71 VAL MG1 . . 2.810 2.348 2.202 2.498 . 0 0 "[ . 1 . 2]" 1
727 1 71 VAL HA 1 71 VAL MG2 . . 2.820 2.367 2.260 2.478 . 0 0 "[ . 1 . 2]" 1
728 1 71 VAL HA 1 72 ASP H . . 2.770 2.219 2.184 2.404 . 0 0 "[ . 1 . 2]" 1
729 1 71 VAL HB 1 72 ASP H . . 4.250 4.195 3.824 4.288 0.038 15 0 "[ . 1 . 2]" 1
730 1 71 VAL HB 1 73 PHE QE . . 3.630 3.427 2.445 3.655 0.025 3 0 "[ . 1 . 2]" 1
731 1 71 VAL HB 1 84 ILE MD . . 3.890 3.469 2.982 3.918 0.028 14 0 "[ . 1 . 2]" 1
732 1 71 VAL MG1 1 72 ASP H . . 3.270 2.577 1.895 2.854 . 0 0 "[ . 1 . 2]" 1
733 1 71 VAL MG1 1 73 PHE QD . . 3.050 2.994 2.266 3.084 0.034 7 0 "[ . 1 . 2]" 1
734 1 71 VAL MG1 1 76 ILE MD . . 3.190 2.408 2.171 2.864 . 0 0 "[ . 1 . 2]" 1
735 1 71 VAL MG1 1 84 ILE MD . . 2.950 2.364 1.822 2.897 . 0 0 "[ . 1 . 2]" 1
736 1 72 ASP H 1 72 ASP HB3 . . 3.190 3.043 2.159 3.593 0.403 16 0 "[ . 1 . 2]" 1
737 1 72 ASP H 1 73 PHE H . . 5.170 4.564 4.171 4.651 . 0 0 "[ . 1 . 2]" 1
738 1 72 ASP HA 1 73 PHE H . . 3.130 2.317 2.252 2.442 . 0 0 "[ . 1 . 2]" 1
739 1 72 ASP HA 1 74 GLN H . . 4.380 3.708 3.459 4.083 . 0 0 "[ . 1 . 2]" 1
740 1 73 PHE H 1 73 PHE HB3 . . 3.610 3.273 3.136 3.368 . 0 0 "[ . 1 . 2]" 1
741 1 73 PHE H 1 73 PHE QD . . 4.180 3.319 2.559 3.570 . 0 0 "[ . 1 . 2]" 1
742 1 73 PHE H 1 74 GLN H . . 3.450 2.214 1.928 2.903 . 0 0 "[ . 1 . 2]" 1
743 1 73 PHE HA 1 73 PHE QD . . 3.760 2.371 2.229 2.901 . 0 0 "[ . 1 . 2]" 1
744 1 73 PHE HA 1 76 ILE HB . . 3.570 2.632 2.040 3.547 . 0 0 "[ . 1 . 2]" 1
745 1 73 PHE HA 1 76 ILE MD . . 3.810 3.207 2.878 3.659 . 0 0 "[ . 1 . 2]" 1
746 1 73 PHE HA 1 76 ILE MG . . 3.250 1.932 1.778 2.208 . 0 0 "[ . 1 . 2]" 1
747 1 73 PHE HB3 1 74 GLN H . . 4.730 3.839 3.315 4.283 . 0 0 "[ . 1 . 2]" 1
748 1 73 PHE HB3 1 76 ILE MG . . 4.440 3.111 2.773 3.608 . 0 0 "[ . 1 . 2]" 1
749 1 73 PHE QD 1 76 ILE MD . . 3.420 2.980 2.542 3.525 0.105 20 0 "[ . 1 . 2]" 1
750 1 73 PHE QD 1 76 ILE MG . . 3.770 2.743 2.511 3.056 . 0 0 "[ . 1 . 2]" 1
751 1 73 PHE QE 1 76 ILE MD . . 4.210 2.689 2.247 3.714 . 0 0 "[ . 1 . 2]" 1
752 1 73 PHE QE 1 84 ILE HB . . 4.660 3.321 3.090 3.547 . 0 0 "[ . 1 . 2]" 1
753 1 73 PHE QE 1 84 ILE MD . . 3.190 2.077 1.934 2.628 . 0 0 "[ . 1 . 2]" 1
754 1 73 PHE QE 1 84 ILE HG13 . . 4.600 4.712 4.416 5.073 0.473 20 0 "[ . 1 . 2]" 1
755 1 73 PHE QE 1 85 LEU MD1 . . 3.690 2.923 2.593 3.290 . 0 0 "[ . 1 . 2]" 1
756 1 73 PHE HZ 1 84 ILE H . . 4.880 4.753 4.463 4.892 0.012 20 0 "[ . 1 . 2]" 1
757 1 73 PHE HZ 1 84 ILE HB . . 3.480 2.780 2.421 2.965 . 0 0 "[ . 1 . 2]" 1
758 1 73 PHE HZ 1 84 ILE MD . . 3.240 3.049 2.683 3.293 0.053 20 0 "[ . 1 . 2]" 1
759 1 73 PHE HZ 1 84 ILE MG . . 3.140 2.897 2.623 3.150 0.010 16 0 "[ . 1 . 2]" 1
760 1 73 PHE HZ 1 85 LEU H . . 4.800 3.491 3.271 3.828 . 0 0 "[ . 1 . 2]" 1
761 1 73 PHE HZ 1 85 LEU HG . . 3.970 2.728 2.415 3.007 . 0 0 "[ . 1 . 2]" 1
762 1 74 GLN H 1 74 GLN HB3 . . 3.630 3.538 3.502 3.571 . 0 0 "[ . 1 . 2]" 1
763 1 74 GLN H 1 74 GLN HE21 . . 4.930 4.580 3.733 4.935 0.005 15 0 "[ . 1 . 2]" 1
764 1 74 GLN H 1 74 GLN HG3 . . 3.460 2.683 1.986 3.318 . 0 0 "[ . 1 . 2]" 1
765 1 74 GLN H 1 75 ASP H . . 3.710 2.722 2.286 2.976 . 0 0 "[ . 1 . 2]" 1
766 1 74 GLN HA 1 74 GLN HG3 . . 3.020 3.282 2.765 3.539 0.519 5 2 "[ + 1 -. 2]" 1
767 1 74 GLN HB3 1 75 ASP H . . 4.210 3.851 3.602 4.150 . 0 0 "[ . 1 . 2]" 1
768 1 75 ASP H 1 75 ASP HB3 . . 3.950 3.387 2.689 3.941 . 0 0 "[ . 1 . 2]" 1
769 1 75 ASP H 1 76 ILE H . . 4.460 3.301 2.972 3.599 . 0 0 "[ . 1 . 2]" 1
770 1 75 ASP H 1 76 ILE HB . . 5.110 3.667 3.518 3.851 . 0 0 "[ . 1 . 2]" 1
771 1 75 ASP H 1 76 ILE MG . . 4.690 3.566 3.057 4.006 . 0 0 "[ . 1 . 2]" 1
772 1 76 ILE H 1 76 ILE MG . . 3.650 2.273 2.098 2.502 . 0 0 "[ . 1 . 2]" 1
773 1 76 ILE HA 1 76 ILE MD . . 3.990 3.484 3.348 3.695 . 0 0 "[ . 1 . 2]" 1
774 1 76 ILE HA 1 76 ILE HG13 . . 3.580 2.286 2.149 2.471 . 0 0 "[ . 1 . 2]" 1
775 1 76 ILE HA 1 76 ILE MG . . 3.520 3.208 3.190 3.217 . 0 0 "[ . 1 . 2]" 1
776 1 76 ILE HA 1 77 GLU H . . 2.990 2.410 2.363 2.452 . 0 0 "[ . 1 . 2]" 1
777 1 76 ILE HA 1 77 GLU HG3 . . 4.570 5.091 4.465 5.807 1.237 8 9 "[ *.* +** *.-** 2]" 1
778 1 76 ILE HB 1 77 GLU H . . 4.350 3.961 3.845 4.072 . 0 0 "[ . 1 . 2]" 1
779 1 76 ILE MD 1 77 GLU H . . 4.450 3.720 3.643 3.870 . 0 0 "[ . 1 . 2]" 1
780 1 76 ILE MD 1 80 LYS HB3 . . 3.450 2.973 1.998 3.453 0.003 15 0 "[ . 1 . 2]" 1
781 1 76 ILE MD 1 80 LYS HE3 . . 4.220 3.411 1.982 5.158 0.938 4 2 "[ +. 1 . -2]" 1
782 1 76 ILE MD 1 81 ALA H . . 4.590 4.027 3.508 4.394 . 0 0 "[ . 1 . 2]" 1
783 1 76 ILE MD 1 81 ALA HA . . 3.430 3.345 3.027 3.461 0.031 15 0 "[ . 1 . 2]" 1
784 1 76 ILE HG13 1 76 ILE MG . . 3.430 3.181 3.142 3.229 . 0 0 "[ . 1 . 2]" 1
785 1 76 ILE HG13 1 77 GLU H . . 3.760 2.020 1.946 2.244 . 0 0 "[ . 1 . 2]" 1
786 1 76 ILE HG13 1 80 LYS HB3 . . 3.360 2.753 2.526 2.944 . 0 0 "[ . 1 . 2]" 1
787 1 76 ILE HG13 1 81 ALA H . . 4.490 4.553 4.383 4.594 0.104 20 0 "[ . 1 . 2]" 1
788 1 76 ILE MG 1 77 GLU H . . 4.360 3.556 3.239 3.788 . 0 0 "[ . 1 . 2]" 1
789 1 76 ILE MG 1 80 LYS HB3 . . 4.360 3.882 3.681 4.304 . 0 0 "[ . 1 . 2]" 1
790 1 76 ILE MG 1 81 ALA H . . 4.080 3.543 3.097 3.903 . 0 0 "[ . 1 . 2]" 1
791 1 76 ILE MG 1 81 ALA MB . . 3.050 2.337 2.012 2.749 . 0 0 "[ . 1 . 2]" 1
792 1 77 GLU H 1 77 GLU HB3 . . 3.400 3.532 3.446 3.602 0.202 20 0 "[ . 1 . 2]" 1
793 1 77 GLU H 1 77 GLU HG3 . . 4.110 3.463 3.059 4.021 . 0 0 "[ . 1 . 2]" 1
794 1 77 GLU H 1 80 LYS HB3 . . 4.390 2.823 2.424 3.495 . 0 0 "[ . 1 . 2]" 1
795 1 77 GLU HA 1 77 GLU HG3 . . 3.560 3.328 2.126 3.838 0.278 15 0 "[ . 1 . 2]" 1
796 1 77 GLU HA 1 78 HIS H . . 3.210 2.318 2.234 2.450 . 0 0 "[ . 1 . 2]" 1
797 1 77 GLU HA 1 78 HIS HA . . 4.410 4.290 4.283 4.310 . 0 0 "[ . 1 . 2]" 1
798 1 77 GLU HA 1 79 SER H . . 4.870 4.567 4.239 4.896 0.026 15 0 "[ . 1 . 2]" 1
799 1 77 GLU HB3 1 78 HIS H . . 4.600 2.976 2.594 3.294 . 0 0 "[ . 1 . 2]" 1
800 1 77 GLU HB3 1 79 SER H . . 4.750 3.207 2.762 3.737 . 0 0 "[ . 1 . 2]" 1
801 1 77 GLU HB3 1 80 LYS H . . 3.820 2.919 2.508 3.381 . 0 0 "[ . 1 . 2]" 1
802 1 77 GLU HG3 1 78 HIS H . . 4.840 4.901 4.006 5.423 0.583 12 3 "[ - .* 1 + . 2]" 1
803 1 78 HIS H 1 78 HIS HB3 . . 3.700 2.367 2.200 2.522 . 0 0 "[ . 1 . 2]" 1
804 1 78 HIS H 1 79 SER H . . 4.020 2.943 2.601 3.157 . 0 0 "[ . 1 . 2]" 1
805 1 78 HIS HA 1 78 HIS HD2 . . 4.070 3.484 3.172 3.710 . 0 0 "[ . 1 . 2]" 1
806 1 78 HIS HA 1 81 ALA H . . 4.190 3.386 3.160 3.692 . 0 0 "[ . 1 . 2]" 1
807 1 78 HIS HA 1 81 ALA MB . . 3.360 2.433 2.187 2.602 . 0 0 "[ . 1 . 2]" 1
808 1 78 HIS HA 1 82 VAL H . . 5.000 4.065 3.559 4.227 . 0 0 "[ . 1 . 2]" 1
809 1 78 HIS HA 1 82 VAL QG . . 4.620 3.866 3.622 4.237 . 0 0 "[ . 1 . 2]" 1
810 1 78 HIS HB3 1 79 SER H . . 3.530 2.456 2.239 2.685 . 0 0 "[ . 1 . 2]" 1
811 1 78 HIS HD2 1 82 VAL QG . . 4.130 3.986 3.723 4.117 . 0 0 "[ . 1 . 2]" 1
812 1 78 HIS HE1 1 82 VAL HB . . 4.640 4.584 4.420 4.672 0.032 20 0 "[ . 1 . 2]" 1
813 1 78 HIS HE1 1 82 VAL QG . . 3.680 2.572 2.201 3.344 . 0 0 "[ . 1 . 2]" 1
814 1 79 SER H 1 79 SER HB3 . . 3.240 3.156 2.421 3.490 0.250 12 0 "[ . 1 . 2]" 1
815 1 79 SER H 1 80 LYS H . . 3.730 2.852 2.707 3.004 . 0 0 "[ . 1 . 2]" 1
816 1 79 SER H 1 81 ALA H . . 5.210 4.389 4.176 4.594 . 0 0 "[ . 1 . 2]" 1
817 1 79 SER H 1 81 ALA MB . . 5.110 4.797 4.584 5.090 . 0 0 "[ . 1 . 2]" 1
818 1 79 SER HA 1 82 VAL H . . 4.230 3.463 3.209 3.743 . 0 0 "[ . 1 . 2]" 1
819 1 79 SER HA 1 82 VAL HB . . 3.560 2.667 2.387 3.712 0.152 15 0 "[ . 1 . 2]" 1
820 1 79 SER HA 1 82 VAL QG . . 3.670 2.964 1.757 3.189 . 0 0 "[ . 1 . 2]" 1
821 1 79 SER HB3 1 80 LYS H . . 4.180 2.941 2.578 4.177 . 0 0 "[ . 1 . 2]" 1
822 1 80 LYS H 1 80 LYS HG3 . . 4.480 4.202 3.616 4.391 . 0 0 "[ . 1 . 2]" 1
823 1 80 LYS H 1 81 ALA H . . 3.300 2.750 2.469 3.030 . 0 0 "[ . 1 . 2]" 1
824 1 80 LYS H 1 81 ALA MB . . 4.550 4.222 3.986 4.437 . 0 0 "[ . 1 . 2]" 1
825 1 80 LYS H 1 82 VAL H . . 5.000 4.121 3.687 4.430 . 0 0 "[ . 1 . 2]" 1
826 1 80 LYS HA 1 80 LYS HD3 . . 3.970 3.525 2.338 4.176 0.206 4 0 "[ . 1 . 2]" 1
827 1 80 LYS HA 1 80 LYS HG3 . . 3.750 2.433 2.062 3.183 . 0 0 "[ . 1 . 2]" 1
828 1 80 LYS HA 1 82 VAL H . . 4.750 4.425 3.796 4.731 . 0 0 "[ . 1 . 2]" 1
829 1 80 LYS HA 1 83 GLU H . . 4.070 3.360 3.032 3.661 . 0 0 "[ . 1 . 2]" 1
830 1 80 LYS HB3 1 81 ALA H . . 3.540 2.582 2.348 2.885 . 0 0 "[ . 1 . 2]" 1
831 1 80 LYS HB3 1 84 ILE MD . . 4.160 3.264 2.220 3.927 . 0 0 "[ . 1 . 2]" 1
832 1 81 ALA H 1 81 ALA MB . . 3.070 2.043 1.985 2.156 . 0 0 "[ . 1 . 2]" 1
833 1 81 ALA H 1 82 VAL H . . 3.610 2.805 2.600 2.980 . 0 0 "[ . 1 . 2]" 1
834 1 81 ALA H 1 83 GLU H . . 5.240 4.294 3.867 4.687 . 0 0 "[ . 1 . 2]" 1
835 1 81 ALA HA 1 84 ILE H . . 3.980 3.787 3.633 4.020 0.040 11 0 "[ . 1 . 2]" 1
836 1 81 ALA HA 1 84 ILE HB . . 3.520 2.696 2.483 2.910 . 0 0 "[ . 1 . 2]" 1
837 1 81 ALA HA 1 84 ILE MD . . 3.650 2.624 2.181 3.171 . 0 0 "[ . 1 . 2]" 1
838 1 81 ALA MB 1 82 VAL H . . 3.350 2.635 2.446 2.997 . 0 0 "[ . 1 . 2]" 1
839 1 81 ALA MB 1 82 VAL HA . . 4.560 3.801 3.723 3.948 . 0 0 "[ . 1 . 2]" 1
840 1 82 VAL H 1 82 VAL HB . . 3.140 2.295 2.151 2.403 . 0 0 "[ . 1 . 2]" 1
841 1 82 VAL H 1 82 VAL QG . . 3.050 2.226 1.977 2.522 . 0 0 "[ . 1 . 2]" 1
842 1 82 VAL H 1 83 GLU H . . 3.580 2.722 2.459 2.905 . 0 0 "[ . 1 . 2]" 1
843 1 82 VAL HA 1 82 VAL HB . . 2.500 2.990 2.492 3.025 0.525 12 18 "[***-*******+**. ****]" 1
844 1 82 VAL HA 1 82 VAL QG . . 3.080 2.118 2.053 2.259 . 0 0 "[ . 1 . 2]" 1
845 1 82 VAL HA 1 83 GLU HA . . 4.850 4.761 4.677 4.813 . 0 0 "[ . 1 . 2]" 1
846 1 82 VAL HA 1 84 ILE H . . 5.100 4.937 4.525 5.113 0.013 16 0 "[ . 1 . 2]" 1
847 1 82 VAL HA 1 85 LEU H . . 4.160 3.957 3.591 4.210 0.050 3 0 "[ . 1 . 2]" 1
848 1 82 VAL HA 1 85 LEU MD1 . . 3.830 2.598 1.956 2.867 . 0 0 "[ . 1 . 2]" 1
849 1 82 VAL HA 1 86 LYS H . . 4.720 4.172 3.885 4.565 . 0 0 "[ . 1 . 2]" 1
850 1 82 VAL HB 1 83 GLU H . . 3.500 2.626 2.284 3.738 0.238 15 0 "[ . 1 . 2]" 1
851 1 82 VAL QG 1 83 GLU H . . 3.910 2.988 1.758 3.433 . 0 0 "[ . 1 . 2]" 1
852 1 82 VAL QG 1 83 GLU HA . . 3.690 3.219 2.916 3.590 . 0 0 "[ . 1 . 2]" 1
853 1 82 VAL QG 1 86 LYS HE3 . . 4.000 3.105 1.984 4.543 0.543 2 1 "[ + . 1 . 2]" 1
854 1 83 GLU H 1 83 GLU HG3 . . 3.990 3.561 2.656 4.338 0.348 16 0 "[ . 1 . 2]" 1
855 1 83 GLU H 1 84 ILE H . . 3.780 2.899 2.692 3.033 . 0 0 "[ . 1 . 2]" 1
856 1 83 GLU HA 1 83 GLU HG3 . . 3.800 2.670 2.134 3.626 . 0 0 "[ . 1 . 2]" 1
857 1 83 GLU HA 1 86 LYS H . . 4.100 3.526 3.150 3.864 . 0 0 "[ . 1 . 2]" 1
858 1 83 GLU HA 1 87 THR H . . 4.350 3.512 3.238 3.733 . 0 0 "[ . 1 . 2]" 1
859 1 83 GLU HA 1 87 THR MG . . 4.170 3.274 2.935 4.226 0.056 11 0 "[ . 1 . 2]" 1
860 1 83 GLU HB3 1 84 ILE H . . 3.660 2.857 2.479 3.668 0.008 11 0 "[ . 1 . 2]" 1
861 1 83 GLU HB3 1 87 THR MG . . 4.600 2.935 2.201 5.016 0.416 11 0 "[ . 1 . 2]" 1
862 1 83 GLU HG3 1 87 THR MG . . 4.280 3.786 1.980 4.333 0.053 15 0 "[ . 1 . 2]" 1
863 1 84 ILE H 1 84 ILE HB . . 3.160 2.353 2.225 2.453 . 0 0 "[ . 1 . 2]" 1
864 1 84 ILE H 1 84 ILE MD . . 3.740 3.333 2.797 3.712 . 0 0 "[ . 1 . 2]" 1
865 1 84 ILE H 1 84 ILE HG13 . . 3.900 2.213 2.055 2.451 . 0 0 "[ . 1 . 2]" 1
866 1 84 ILE H 1 84 ILE MG . . 3.990 3.694 3.645 3.716 . 0 0 "[ . 1 . 2]" 1
867 1 84 ILE H 1 85 LEU H . . 3.710 3.146 3.003 3.242 . 0 0 "[ . 1 . 2]" 1
868 1 84 ILE HA 1 84 ILE HG13 . . 3.160 2.659 2.385 2.866 . 0 0 "[ . 1 . 2]" 1
869 1 84 ILE HA 1 84 ILE MG . . 3.070 2.540 2.441 2.633 . 0 0 "[ . 1 . 2]" 1
870 1 84 ILE HA 1 87 THR H . . 4.830 3.980 3.606 4.340 . 0 0 "[ . 1 . 2]" 1
871 1 84 ILE HA 1 87 THR HB . . 4.370 4.333 4.140 4.400 0.030 3 0 "[ . 1 . 2]" 1
872 1 84 ILE HB 1 84 ILE MD . . 3.400 2.204 2.007 2.382 . 0 0 "[ . 1 . 2]" 1
873 1 84 ILE HB 1 85 LEU H . . 3.550 2.432 2.244 2.681 . 0 0 "[ . 1 . 2]" 1
874 1 84 ILE MD 1 85 LEU H . . 4.650 4.262 3.940 4.568 . 0 0 "[ . 1 . 2]" 1
875 1 84 ILE MG 1 85 LEU H . . 3.490 2.783 2.529 3.129 . 0 0 "[ . 1 . 2]" 1
876 1 84 ILE MG 1 85 LEU HA . . 4.050 3.145 2.941 3.398 . 0 0 "[ . 1 . 2]" 1
877 1 84 ILE MG 1 85 LEU HG . . 4.040 3.191 2.845 3.648 . 0 0 "[ . 1 . 2]" 1
878 1 84 ILE MG 1 88 ALA H . . 5.050 3.793 3.491 4.174 . 0 0 "[ . 1 . 2]" 1
879 1 85 LEU H 1 85 LEU HB3 . . 3.850 3.537 3.521 3.548 . 0 0 "[ . 1 . 2]" 1
880 1 85 LEU H 1 85 LEU MD1 . . 4.360 3.270 2.984 3.619 . 0 0 "[ . 1 . 2]" 1
881 1 85 LEU H 1 85 LEU MD2 . . 4.120 3.480 3.268 3.672 . 0 0 "[ . 1 . 2]" 1
882 1 85 LEU H 1 85 LEU HG . . 3.060 2.127 1.953 2.363 . 0 0 "[ . 1 . 2]" 1
883 1 85 LEU H 1 86 LYS H . . 3.320 3.021 2.739 3.205 . 0 0 "[ . 1 . 2]" 1
884 1 85 LEU HA 1 85 LEU MD1 . . 4.320 3.893 3.828 3.926 . 0 0 "[ . 1 . 2]" 1
885 1 85 LEU HA 1 85 LEU MD2 . . 2.850 2.186 1.952 2.668 . 0 0 "[ . 1 . 2]" 1
886 1 85 LEU HA 1 85 LEU HG . . 3.230 2.844 2.718 3.017 . 0 0 "[ . 1 . 2]" 1
887 1 85 LEU HA 1 88 ALA H . . 4.330 3.900 3.344 4.256 . 0 0 "[ . 1 . 2]" 1
888 1 85 LEU HA 1 88 ALA MB . . 3.780 2.701 2.098 3.262 . 0 0 "[ . 1 . 2]" 1
889 1 85 LEU HA 1 91 ILE MD . . 4.090 3.880 3.377 4.123 0.033 8 0 "[ . 1 . 2]" 1
890 1 85 LEU HB3 1 85 LEU MD1 . . 3.370 2.528 2.290 2.764 . 0 0 "[ . 1 . 2]" 1
891 1 85 LEU HB3 1 85 LEU MD2 . . 3.070 2.294 2.025 2.399 . 0 0 "[ . 1 . 2]" 1
892 1 85 LEU HB3 1 86 LYS H . . 4.180 3.418 3.059 3.810 . 0 0 "[ . 1 . 2]" 1
893 1 85 LEU MD1 1 86 LYS H . . 4.580 4.215 3.641 4.624 0.044 11 0 "[ . 1 . 2]" 1
894 1 86 LYS H 1 86 LYS HB3 . . 3.410 3.449 3.380 3.522 0.112 5 0 "[ . 1 . 2]" 1
895 1 86 LYS H 1 86 LYS HG3 . . 4.100 2.843 2.330 3.320 . 0 0 "[ . 1 . 2]" 1
896 1 86 LYS H 1 87 THR H . . 3.550 3.113 2.903 3.279 . 0 0 "[ . 1 . 2]" 1
897 1 86 LYS H 1 88 ALA H . . 4.910 4.214 3.639 4.936 0.026 20 0 "[ . 1 . 2]" 1
898 1 86 LYS HA 1 86 LYS HG3 . . 3.590 2.553 2.025 2.958 . 0 0 "[ . 1 . 2]" 1
899 1 86 LYS HB3 1 87 THR H . . 3.940 2.672 2.416 3.194 . 0 0 "[ . 1 . 2]" 1
900 1 87 THR H 1 87 THR HB . . 3.660 3.443 2.340 3.513 . 0 0 "[ . 1 . 2]" 1
901 1 87 THR H 1 87 THR MG . . 3.370 2.034 1.904 2.289 . 0 0 "[ . 1 . 2]" 1
902 1 87 THR H 1 88 ALA H . . 3.290 3.063 2.705 3.337 0.047 20 0 "[ . 1 . 2]" 1
903 1 87 THR HA 1 87 THR HB . . 3.060 2.526 2.490 2.624 . 0 0 "[ . 1 . 2]" 1
904 1 87 THR HA 1 87 THR MG . . 3.060 2.408 2.249 3.245 0.185 11 0 "[ . 1 . 2]" 1
905 1 87 THR HB 1 88 ALA H . . 4.150 3.608 2.964 4.143 . 0 0 "[ . 1 . 2]" 1
906 1 87 THR MG 1 88 ALA H . . 4.290 3.746 2.115 4.195 . 0 0 "[ . 1 . 2]" 1
907 1 88 ALA H 1 88 ALA MB . . 2.920 2.099 2.000 2.235 . 0 0 "[ . 1 . 2]" 1
908 1 88 ALA H 1 89 ARG H . . 4.730 4.377 4.178 4.608 . 0 0 "[ . 1 . 2]" 1
909 1 88 ALA HA 1 89 ARG H . . 3.030 2.213 2.187 2.267 . 0 0 "[ . 1 . 2]" 1
910 1 88 ALA HA 1 90 GLU H . . 4.000 3.823 3.592 4.062 0.062 20 0 "[ . 1 . 2]" 1
911 1 88 ALA MB 1 89 ARG H . . 3.660 3.483 3.109 3.629 . 0 0 "[ . 1 . 2]" 1
912 1 88 ALA MB 1 90 GLU H . . 3.550 3.393 3.194 3.574 0.024 6 0 "[ . 1 . 2]" 1
913 1 88 ALA MB 1 91 ILE HA . . 4.090 3.288 3.169 3.493 . 0 0 "[ . 1 . 2]" 1
914 1 89 ARG H 1 89 ARG HB3 . . 3.570 2.567 2.276 2.770 . 0 0 "[ . 1 . 2]" 1
915 1 89 ARG H 1 89 ARG HG3 . . 4.130 3.003 1.949 3.669 . 0 0 "[ . 1 . 2]" 1
916 1 89 ARG H 1 90 GLU H . . 3.180 2.868 2.593 3.072 . 0 0 "[ . 1 . 2]" 1
917 1 89 ARG HA 1 89 ARG HG3 . . 3.870 3.752 3.500 4.023 0.153 14 0 "[ . 1 . 2]" 1
918 1 89 ARG HB3 1 89 ARG HD3 . . 4.030 2.883 2.352 3.685 . 0 0 "[ . 1 . 2]" 1
919 1 89 ARG HB3 1 90 GLU H . . 3.880 3.972 3.822 4.188 0.308 7 0 "[ . 1 . 2]" 1
920 1 89 ARG HE 1 90 GLU H . . 5.140 4.307 3.349 5.145 0.005 11 0 "[ . 1 . 2]" 1
921 1 89 ARG HG3 1 90 GLU H . . 4.810 2.070 1.921 2.422 . 0 0 "[ . 1 . 2]" 1
922 1 89 ARG HG3 1 90 GLU HG3 . . 4.030 4.599 4.312 4.958 0.928 18 11 "[ * *-** * * *. *+ *]" 1
923 1 90 GLU H 1 90 GLU HB3 . . 3.450 2.890 2.739 2.964 . 0 0 "[ . 1 . 2]" 1
924 1 90 GLU H 1 90 GLU HG3 . . 4.280 3.556 3.432 3.699 . 0 0 "[ . 1 . 2]" 1
925 1 90 GLU H 1 91 ILE H . . 4.680 4.373 4.324 4.410 . 0 0 "[ . 1 . 2]" 1
926 1 90 GLU HA 1 90 GLU HG3 . . 3.750 3.747 3.715 3.802 0.052 4 0 "[ . 1 . 2]" 1
927 1 90 GLU HA 1 91 ILE H . . 3.060 2.221 2.209 2.233 . 0 0 "[ . 1 . 2]" 1
928 1 90 GLU HB3 1 91 ILE H . . 4.160 4.397 4.369 4.449 0.289 20 0 "[ . 1 . 2]" 1
929 1 91 ILE H 1 91 ILE HA . . 2.500 2.895 2.883 2.916 0.416 7 0 "[ . 1 . 2]" 1
930 1 91 ILE H 1 91 ILE HB . . 3.430 2.346 2.270 2.435 . 0 0 "[ . 1 . 2]" 1
931 1 91 ILE H 1 91 ILE MD . . 4.370 3.178 2.795 3.519 . 0 0 "[ . 1 . 2]" 1
932 1 91 ILE H 1 91 ILE MG . . 3.760 3.706 3.659 3.747 . 0 0 "[ . 1 . 2]" 1
933 1 91 ILE H 1 92 SER H . . 4.800 4.529 4.308 4.620 . 0 0 "[ . 1 . 2]" 1
934 1 91 ILE HA 1 91 ILE HG13 . . 3.930 2.594 2.459 2.686 . 0 0 "[ . 1 . 2]" 1
935 1 91 ILE HA 1 91 ILE MG . . 3.430 2.449 2.343 2.542 . 0 0 "[ . 1 . 2]" 1
936 1 91 ILE HA 1 92 SER H . . 3.050 2.220 2.179 2.336 . 0 0 "[ . 1 . 2]" 1
937 1 91 ILE HA 1 92 SER HB3 . . 5.020 5.045 4.216 5.372 0.352 19 0 "[ . 1 . 2]" 1
938 1 91 ILE HB 1 91 ILE MD . . 3.320 2.084 1.961 2.205 . 0 0 "[ . 1 . 2]" 1
939 1 91 ILE HB 1 92 SER H . . 4.990 4.274 3.925 4.482 . 0 0 "[ . 1 . 2]" 1
940 1 91 ILE HG13 1 91 ILE MG . . 3.120 3.172 3.095 3.220 0.100 12 0 "[ . 1 . 2]" 1
941 1 91 ILE HG13 1 92 SER H . . 5.500 4.731 4.555 4.829 . 0 0 "[ . 1 . 2]" 1
942 1 91 ILE MG 1 92 SER H . . 3.540 2.619 2.153 3.187 . 0 0 "[ . 1 . 2]" 1
943 1 91 ILE MG 1 93 MET H . . 4.240 2.738 2.412 3.198 . 0 0 "[ . 1 . 2]" 1
944 1 91 ILE MG 1 93 MET HG3 . . 3.620 4.072 3.557 4.937 1.317 13 13 "[* * .*** * *+ * ***-]" 1
945 1 92 SER H 1 92 SER HB3 . . 3.560 3.253 2.454 3.440 . 0 0 "[ . 1 . 2]" 1
946 1 92 SER H 1 93 MET H . . 5.090 3.157 2.540 3.605 . 0 0 "[ . 1 . 2]" 1
947 1 92 SER HA 1 93 MET H . . 3.040 2.468 2.318 2.595 . 0 0 "[ . 1 . 2]" 1
948 1 92 SER HB3 1 93 MET H . . 4.650 4.405 4.313 4.690 0.040 16 0 "[ . 1 . 2]" 1
949 1 93 MET H 1 93 MET HB3 . . 4.080 2.816 2.673 2.932 . 0 0 "[ . 1 . 2]" 1
950 1 93 MET H 1 93 MET ME . . 5.150 4.218 3.668 4.409 . 0 0 "[ . 1 . 2]" 1
951 1 93 MET H 1 93 MET HG3 . . 4.340 3.070 2.109 3.701 . 0 0 "[ . 1 . 2]" 1
952 1 93 MET H 1 94 ARG H . . 5.000 4.570 4.511 4.607 . 0 0 "[ . 1 . 2]" 1
953 1 93 MET HA 1 93 MET HG3 . . 4.040 3.927 3.585 4.167 0.127 7 0 "[ . 1 . 2]" 1
954 1 93 MET HA 1 94 ARG H . . 3.020 2.478 2.264 2.603 . 0 0 "[ . 1 . 2]" 1
955 1 93 MET HB3 1 93 MET ME . . 3.260 3.064 2.328 3.336 0.076 6 0 "[ . 1 . 2]" 1
956 1 93 MET HB3 1 94 ARG H . . 4.330 3.849 3.709 4.148 . 0 0 "[ . 1 . 2]" 1
957 1 93 MET HB3 1 95 VAL QG . . 3.650 4.558 4.253 4.790 1.140 12 20 [***********+***-****] 1
958 1 93 MET ME 1 93 MET HG3 . . 4.020 2.629 2.165 3.340 . 0 0 "[ . 1 . 2]" 1
959 1 93 MET HG3 1 95 VAL QG . . 3.830 2.595 2.192 3.015 . 0 0 "[ . 1 . 2]" 1
960 1 94 ARG H 1 94 ARG HB3 . . 3.720 3.079 2.739 3.301 . 0 0 "[ . 1 . 2]" 1
961 1 94 ARG H 1 95 VAL H . . 3.500 4.349 4.215 4.506 1.006 10 20 [******-**+**********] 1
962 1 94 ARG HA 1 94 ARG HG3 . . 4.060 2.185 2.035 2.359 . 0 0 "[ . 1 . 2]" 1
963 1 94 ARG HA 1 95 VAL H . . 3.070 2.241 2.225 2.296 . 0 0 "[ . 1 . 2]" 1
964 1 94 ARG HA 1 95 VAL QG . . 4.640 3.359 3.230 3.452 . 0 0 "[ . 1 . 2]" 1
965 1 94 ARG HB3 1 94 ARG HD3 . . 3.790 2.947 2.718 3.180 . 0 0 "[ . 1 . 2]" 1
966 1 94 ARG HG3 1 95 VAL H . . 4.830 3.789 3.009 4.242 . 0 0 "[ . 1 . 2]" 1
967 1 95 VAL H 1 95 VAL HB . . 4.000 3.677 3.539 3.778 . 0 0 "[ . 1 . 2]" 1
968 1 95 VAL H 1 95 VAL QG . . 3.160 1.983 1.868 2.101 . 0 0 "[ . 1 . 2]" 1
969 1 95 VAL H 1 96 ARG H . . 5.110 4.500 4.433 4.574 . 0 0 "[ . 1 . 2]" 1
970 1 95 VAL HA 1 95 VAL QG . . 3.260 2.241 2.114 2.345 . 0 0 "[ . 1 . 2]" 1
971 1 95 VAL HA 1 96 ARG H . . 3.120 2.476 2.382 2.586 . 0 0 "[ . 1 . 2]" 1
972 1 95 VAL HA 1 96 ARG HB3 . . 4.830 4.550 4.128 4.988 0.158 12 0 "[ . 1 . 2]" 1
973 1 95 VAL HB 1 96 ARG H . . 3.510 2.482 2.270 2.684 . 0 0 "[ . 1 . 2]" 1
974 1 95 VAL QG 1 96 ARG H . . 3.770 3.211 3.050 3.338 . 0 0 "[ . 1 . 2]" 1
975 1 96 ARG H 1 96 ARG HB3 . . 4.150 3.064 2.869 3.426 . 0 0 "[ . 1 . 2]" 1
976 1 96 ARG H 1 97 PHE H . . 4.750 4.239 4.064 4.388 . 0 0 "[ . 1 . 2]" 1
977 1 96 ARG HA 1 96 ARG HG3 . . 3.950 2.757 2.177 3.746 . 0 0 "[ . 1 . 2]" 1
978 1 96 ARG HA 1 97 PHE H . . 3.330 2.317 2.245 2.432 . 0 0 "[ . 1 . 2]" 1
979 1 96 ARG HB3 1 96 ARG HD3 . . 4.110 2.547 2.114 3.337 . 0 0 "[ . 1 . 2]" 1
980 1 96 ARG HG3 1 97 PHE HZ . . 4.700 8.822 4.701 11.216 6.516 20 19 "[- *****************+]" 1
981 1 97 PHE H 1 97 PHE HB3 . . 3.660 2.844 2.106 3.500 . 0 0 "[ . 1 . 2]" 1
982 1 97 PHE H 1 97 PHE QD . . 4.930 3.049 1.982 4.073 . 0 0 "[ . 1 . 2]" 1
983 1 97 PHE HA 1 97 PHE QD . . 3.770 2.998 2.385 3.753 . 0 0 "[ . 1 . 2]" 1
984 1 97 PHE HA 1 99 SER H . . 4.380 4.225 3.788 4.403 0.023 20 0 "[ . 1 . 2]" 1
985 1 97 PHE QD 1 98 PHE H . . 4.590 3.973 2.976 4.539 . 0 0 "[ . 1 . 2]" 1
986 1 98 PHE H 1 98 PHE HB3 . . 3.660 2.709 2.190 3.328 . 0 0 "[ . 1 . 2]" 1
987 1 98 PHE H 1 98 PHE QD . . 4.930 3.854 1.948 4.386 . 0 0 "[ . 1 . 2]" 1
988 1 98 PHE H 1 99 SER H . . 4.490 3.253 1.952 3.842 . 0 0 "[ . 1 . 2]" 1
989 1 98 PHE HA 1 98 PHE QD . . 3.990 2.881 2.429 3.747 . 0 0 "[ . 1 . 2]" 1
990 1 98 PHE HA 1 99 SER H . . 3.230 2.670 2.494 3.231 0.001 15 0 "[ . 1 . 2]" 1
991 1 98 PHE HB3 1 99 SER H . . 4.880 4.386 4.235 4.635 . 0 0 "[ . 1 . 2]" 1
992 1 98 PHE QD 1 99 SER HB3 . . 4.420 5.282 4.346 5.956 1.536 9 14 "[**-** *+** ** ***]" 1
993 1 99 SER H 1 99 SER HB3 . . 3.950 3.543 3.001 4.089 0.139 16 0 "[ . 1 . 2]" 1
994 1 99 SER H 1 100 GLY H . . 4.130 3.560 1.891 4.122 . 0 0 "[ . 1 . 2]" 1
995 1 99 SER HA 1 100 GLY H . . 3.510 2.478 2.220 3.639 0.129 15 0 "[ . 1 . 2]" 1
996 1 100 GLY HA2 1 101 PRO HD3 . . 2.960 2.267 1.946 2.819 . 0 0 "[ . 1 . 2]" 1
997 1 100 GLY HA3 1 101 PRO HD3 . . 3.220 2.841 2.238 3.292 0.072 17 0 "[ . 1 . 2]" 1
998 1 101 PRO HA 1 102 SER H . . 3.460 2.508 2.154 3.463 0.003 4 0 "[ . 1 . 2]" 1
999 1 102 SER HB3 1 103 SER H . . 4.830 3.591 2.334 4.562 . 0 0 "[ . 1 . 2]" 1
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