NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
610585 |
2nax   |
25953 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2nax
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 803
_Distance_constraint_stats_list.Viol_count 1314
_Distance_constraint_stats_list.Viol_total 7551.875
_Distance_constraint_stats_list.Viol_max 1.774
_Distance_constraint_stats_list.Viol_rms 0.1185
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0235
_Distance_constraint_stats_list.Viol_average_violations_only 0.2874
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 8 ARG 3.106 0.482 11 0 "[ . 1 . 2]"
1 9 SER 2.788 0.290 14 0 "[ . 1 . 2]"
1 10 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 GLU 4.293 1.398 11 3 "[ . 1+ -. *2]"
1 12 LEU 8.145 1.398 11 4 "[ . 1+ -* *2]"
1 13 GLU 4.769 0.432 5 0 "[ . 1 . 2]"
1 14 ILE 15.688 0.939 17 10 "[ * . * * **-.*+* *]"
1 15 ARG 10.284 0.960 7 3 "[ . +- 1 . * 2]"
1 16 GLY 1.087 0.365 20 0 "[ . 1 . 2]"
1 17 LYS 6.062 0.516 14 1 "[ . 1 +. 2]"
1 18 TYR 29.329 0.902 10 20 [*********+*-********]
1 19 VAL 7.639 0.545 1 1 "[+ . 1 . 2]"
1 20 VAL 0.497 0.134 7 0 "[ . 1 . 2]"
1 21 VAL 1.086 0.205 19 0 "[ . 1 . 2]"
1 22 PRO 0.056 0.030 6 0 "[ . 1 . 2]"
1 23 GLU 0.688 0.271 6 0 "[ . 1 . 2]"
1 24 THR 0.824 0.258 4 0 "[ . 1 . 2]"
1 25 SER 1.967 0.382 20 0 "[ . 1 . 2]"
1 26 GLN 3.160 0.808 17 3 "[ * . 1 . + -2]"
1 27 ASP 1.941 0.234 1 0 "[ . 1 . 2]"
1 28 MET 28.247 1.140 15 14 "[**-** **** **+ **2]"
1 29 ALA 3.047 0.436 10 0 "[ . 1 . 2]"
1 30 PHE 12.735 0.876 18 17 "[***** **** -* ***+**]"
1 31 LYS 4.691 0.684 9 4 "[ - .* +1 . * 2]"
1 32 CYS 3.403 0.578 17 3 "[ . 1 * +- 2]"
1 33 PRO 6.627 0.568 5 4 "[ + *1 * - 2]"
1 34 ILE 2.598 0.626 16 1 "[ . 1 .+ 2]"
1 35 CYS 1.198 0.099 3 0 "[ . 1 . 2]"
1 36 LYS 2.780 0.261 2 0 "[ . 1 . 2]"
1 37 GLU 13.434 0.625 4 5 "[ +- * 1 * *. 2]"
1 38 THR 6.627 0.513 14 1 "[ . 1 +. 2]"
1 39 VAL 68.985 1.245 17 19 "[************* **+-**]"
1 40 THR 0.449 0.171 9 0 "[ . 1 . 2]"
1 41 GLY 14.335 1.140 15 14 "[***** -*** **+ **2]"
1 42 VAL 48.969 0.997 20 19 [**-*.**************+]
1 43 TYR 19.031 0.913 9 18 [***-.***+1**********]
1 44 ASP 0.195 0.100 10 0 "[ . 1 . 2]"
1 45 GLU 5.434 0.381 5 0 "[ . 1 . 2]"
1 46 GLU 11.799 0.935 20 7 "[ . * 1 *- .** *+]"
1 47 SER 6.002 0.570 20 2 "[ . 1 - . +]"
1 48 GLY 0.412 0.143 13 0 "[ . 1 . 2]"
1 49 GLU 7.004 0.570 12 7 "[ . * *1*+* . - *]"
1 50 TRP 6.661 0.570 12 7 "[ . * *1*+* . - *]"
1 51 VAL 29.288 0.853 16 20 [*******-*******+****]
1 52 TRP 34.704 1.487 15 17 "[***** * ***- *+*****]"
1 53 LYS 59.155 1.111 10 19 "[*********+-****** **]"
1 54 ASN 9.235 0.952 13 8 "[ * ** -*1* +*. 2]"
1 55 THR 41.934 1.774 15 18 "[****-** **** *+*****]"
1 56 ILE 8.255 0.575 11 4 "[* . 1+ . - *2]"
1 57 GLU 0.510 0.136 13 0 "[ . 1 . 2]"
1 58 VAL 9.237 0.854 14 2 "[ . 1- +. 2]"
1 59 ASN 1.887 0.177 13 0 "[ . 1 . 2]"
1 60 GLY 1.393 0.310 1 0 "[ . 1 . 2]"
1 61 LYS 0.478 0.106 18 0 "[ . 1 . 2]"
1 62 TYR 67.692 1.774 15 18 "[******* **** *+*****]"
1 63 PHE 13.792 0.854 14 2 "[ . 1 +.- 2]"
1 64 HIS 2.989 0.439 18 0 "[ . 1 . 2]"
1 65 SER 3.880 0.548 19 3 "[* . 1 . - +2]"
1 66 THR 5.998 0.960 7 3 "[ . +- 1 . * 2]"
1 67 CYS 2.332 0.107 16 0 "[ . 1 . 2]"
1 68 TYR 2.763 0.450 3 0 "[ . 1 . 2]"
1 69 HIS 13.523 0.939 17 10 "[ * . * * ***.*+- *]"
1 70 GLU 2.488 0.440 3 0 "[ . 1 . 2]"
1 71 THR 3.054 0.450 3 0 "[ . 1 . 2]"
1 72 SER 0.019 0.019 16 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 8 ARG HA 1 8 ARG HD2 . . 4.230 3.547 2.110 4.712 0.482 11 0 "[ . 1 . 2]" 1
2 1 8 ARG HA 1 8 ARG HG2 . . 4.040 3.118 2.304 3.858 . 0 0 "[ . 1 . 2]" 1
3 1 8 ARG HB3 1 8 ARG HD2 . . 4.110 3.397 2.625 3.854 . 0 0 "[ . 1 . 2]" 1
4 1 9 SER HA 1 9 SER HB3 . . 2.760 2.744 2.425 3.050 0.290 14 0 "[ . 1 . 2]" 1
5 1 10 ASN QB 1 11 GLU H . . 4.690 3.367 2.735 4.041 . 0 0 "[ . 1 . 2]" 1
6 1 10 ASN QB 1 13 GLU QB . . 4.030 3.662 2.794 3.902 . 0 0 "[ . 1 . 2]" 1
7 1 10 ASN QB 1 14 ILE MD . . 4.640 3.970 3.091 4.559 . 0 0 "[ . 1 . 2]" 1
8 1 11 GLU H 1 11 GLU HB3 . . 3.820 3.098 2.374 3.622 . 0 0 "[ . 1 . 2]" 1
9 1 11 GLU HA 1 11 GLU QG . . 3.630 2.803 2.255 3.441 . 0 0 "[ . 1 . 2]" 1
10 1 11 GLU HB2 1 12 LEU H . . 4.780 3.472 2.584 4.190 . 0 0 "[ . 1 . 2]" 1
11 1 11 GLU QG 1 12 LEU H . . 5.180 3.742 2.412 4.721 . 0 0 "[ . 1 . 2]" 1
12 1 11 GLU QG 1 12 LEU QD . . 4.780 4.255 2.189 6.178 1.398 11 3 "[ . 1+ -. *2]" 1
13 1 12 LEU H 1 12 LEU HB2 . . 3.140 2.621 2.290 3.960 0.820 15 1 "[ . 1 + 2]" 1
14 1 12 LEU H 1 12 LEU HB3 . . 4.040 3.222 2.389 3.633 . 0 0 "[ . 1 . 2]" 1
15 1 12 LEU H 1 12 LEU QD . . 4.650 3.045 2.013 3.746 . 0 0 "[ . 1 . 2]" 1
16 1 12 LEU HA 1 12 LEU HB2 . . 3.010 2.821 2.273 3.055 0.045 4 0 "[ . 1 . 2]" 1
17 1 12 LEU HA 1 12 LEU QD . . 3.060 2.402 2.129 3.447 0.387 15 0 "[ . 1 . 2]" 1
18 1 12 LEU HB2 1 13 GLU H . . 3.890 3.315 2.678 4.310 0.420 15 0 "[ . 1 . 2]" 1
19 1 12 LEU HB3 1 13 GLU H . . 4.230 3.608 2.663 4.240 0.010 15 0 "[ . 1 . 2]" 1
20 1 12 LEU QD 1 13 GLU H . . 4.810 3.959 2.474 4.356 . 0 0 "[ . 1 . 2]" 1
21 1 13 GLU H 1 13 GLU QB . . 3.160 2.328 2.155 2.511 . 0 0 "[ . 1 . 2]" 1
22 1 13 GLU H 1 14 ILE H . . 3.720 2.612 2.106 3.008 . 0 0 "[ . 1 . 2]" 1
23 1 13 GLU HA 1 13 GLU HG2 . . 3.450 3.212 2.416 3.882 0.432 5 0 "[ . 1 . 2]" 1
24 1 13 GLU HA 1 15 ARG H . . 4.160 4.174 3.972 4.266 0.106 17 0 "[ . 1 . 2]" 1
25 1 13 GLU QB 1 14 ILE H . . 3.610 2.829 2.564 3.202 . 0 0 "[ . 1 . 2]" 1
26 1 13 GLU QB 1 14 ILE HA . . 5.480 4.204 3.853 4.613 . 0 0 "[ . 1 . 2]" 1
27 1 13 GLU QB 1 14 ILE MD . . 5.060 4.031 3.458 4.698 . 0 0 "[ . 1 . 2]" 1
28 1 13 GLU QB 1 14 ILE QG . . 4.700 3.545 3.136 4.060 . 0 0 "[ . 1 . 2]" 1
29 1 14 ILE H 1 14 ILE HB . . 3.220 2.510 2.386 2.651 . 0 0 "[ . 1 . 2]" 1
30 1 14 ILE H 1 14 ILE MD . . 4.310 3.452 3.186 3.721 . 0 0 "[ . 1 . 2]" 1
31 1 14 ILE H 1 14 ILE QG . . 3.570 2.133 1.928 2.286 . 0 0 "[ . 1 . 2]" 1
32 1 14 ILE H 1 14 ILE MG . . 4.480 3.786 3.745 3.826 . 0 0 "[ . 1 . 2]" 1
33 1 14 ILE H 1 15 ARG H . . 3.770 2.724 2.372 2.999 . 0 0 "[ . 1 . 2]" 1
34 1 14 ILE HA 1 14 ILE MD . . 3.690 2.283 2.178 2.371 . 0 0 "[ . 1 . 2]" 1
35 1 14 ILE HA 1 14 ILE QG . . 3.660 2.960 2.725 3.080 . 0 0 "[ . 1 . 2]" 1
36 1 14 ILE HA 1 14 ILE MG . . 3.190 2.429 2.311 2.570 . 0 0 "[ . 1 . 2]" 1
37 1 14 ILE HA 1 17 LYS H . . 4.960 3.920 3.611 4.460 . 0 0 "[ . 1 . 2]" 1
38 1 14 ILE HA 1 17 LYS HB2 . . 5.500 4.323 3.430 5.021 . 0 0 "[ . 1 . 2]" 1
39 1 14 ILE HA 1 17 LYS QE . . 4.080 3.344 2.692 4.130 0.050 16 0 "[ . 1 . 2]" 1
40 1 14 ILE HA 1 17 LYS HG2 . . 4.110 2.879 2.269 4.311 0.201 11 0 "[ . 1 . 2]" 1
41 1 14 ILE HA 1 17 LYS HG3 . . 4.870 3.486 2.681 4.182 . 0 0 "[ . 1 . 2]" 1
42 1 14 ILE HB 1 14 ILE MD . . 3.490 3.277 3.255 3.304 . 0 0 "[ . 1 . 2]" 1
43 1 14 ILE HB 1 15 ARG H . . 3.120 2.787 2.620 3.121 0.001 17 0 "[ . 1 . 2]" 1
44 1 14 ILE HB 1 15 ARG HA . . 4.910 4.485 4.253 4.702 . 0 0 "[ . 1 . 2]" 1
45 1 14 ILE HB 1 66 THR HA . . 4.220 4.156 3.511 4.493 0.273 16 0 "[ . 1 . 2]" 1
46 1 14 ILE MD 1 17 LYS QE . . 4.700 3.565 2.847 4.218 . 0 0 "[ . 1 . 2]" 1
47 1 14 ILE MD 1 66 THR HA . . 4.440 4.197 4.072 4.233 . 0 0 "[ . 1 . 2]" 1
48 1 14 ILE MD 1 66 THR MG . . 4.680 4.348 4.140 4.431 . 0 0 "[ . 1 . 2]" 1
49 1 14 ILE MD 1 69 HIS H . . 5.500 4.763 4.097 5.286 . 0 0 "[ . 1 . 2]" 1
50 1 14 ILE MD 1 69 HIS QB . . 4.140 2.667 2.289 3.324 . 0 0 "[ . 1 . 2]" 1
51 1 14 ILE MD 1 69 HIS HE1 . . 3.870 3.602 3.264 3.687 . 0 0 "[ . 1 . 2]" 1
52 1 14 ILE QG 1 69 HIS HE1 . . 4.610 4.227 3.299 5.279 0.669 17 3 "[ * . 1 - . + 2]" 1
53 1 14 ILE MG 1 15 ARG H . . 4.060 3.568 3.202 3.842 . 0 0 "[ . 1 . 2]" 1
54 1 14 ILE MG 1 15 ARG HA . . 3.880 3.630 3.402 3.864 . 0 0 "[ . 1 . 2]" 1
55 1 14 ILE MG 1 17 LYS HB2 . . 4.520 4.199 3.763 4.548 0.028 13 0 "[ . 1 . 2]" 1
56 1 14 ILE MG 1 17 LYS QE . . 4.660 4.499 4.065 5.176 0.516 14 1 "[ . 1 +. 2]" 1
57 1 14 ILE MG 1 54 ASN HD22 . . 4.580 4.125 3.534 4.582 0.002 15 0 "[ . 1 . 2]" 1
58 1 14 ILE MG 1 66 THR H . . 4.660 2.881 2.642 3.181 . 0 0 "[ . 1 . 2]" 1
59 1 14 ILE MG 1 66 THR HA . . 2.960 2.141 2.019 2.243 . 0 0 "[ . 1 . 2]" 1
60 1 14 ILE MG 1 66 THR HB . . 4.560 3.892 3.767 4.034 . 0 0 "[ . 1 . 2]" 1
61 1 14 ILE MG 1 66 THR MG . . 3.230 2.064 1.944 2.246 . 0 0 "[ . 1 . 2]" 1
62 1 14 ILE MG 1 69 HIS H . . 4.460 4.095 3.680 4.473 0.013 17 0 "[ . 1 . 2]" 1
63 1 14 ILE MG 1 69 HIS QB . . 3.780 2.708 2.221 3.123 . 0 0 "[ . 1 . 2]" 1
64 1 14 ILE MG 1 69 HIS HE1 . . 4.990 5.474 5.025 5.929 0.939 17 9 "[ . * * ***.*+- *]" 1
65 1 15 ARG H 1 15 ARG HB3 . . 3.480 2.987 2.357 3.651 0.171 13 0 "[ . 1 . 2]" 1
66 1 15 ARG H 1 16 GLY H . . 4.060 2.605 2.365 2.834 . 0 0 "[ . 1 . 2]" 1
67 1 15 ARG H 1 66 THR MG . . 4.790 3.844 3.096 4.533 . 0 0 "[ . 1 . 2]" 1
68 1 15 ARG HA 1 15 ARG HB3 . . 2.750 2.659 2.378 3.064 0.314 8 0 "[ . 1 . 2]" 1
69 1 15 ARG HA 1 15 ARG QD . . 4.790 3.713 2.241 4.546 . 0 0 "[ . 1 . 2]" 1
70 1 15 ARG HA 1 54 ASN H . . 4.820 4.390 3.477 4.843 0.023 1 0 "[ . 1 . 2]" 1
71 1 15 ARG HA 1 54 ASN HB2 . . 4.200 3.190 2.483 3.916 . 0 0 "[ . 1 . 2]" 1
72 1 15 ARG HA 1 54 ASN HB3 . . 5.320 4.631 4.140 5.322 0.002 20 0 "[ . 1 . 2]" 1
73 1 15 ARG HA 1 66 THR MG . . 3.740 3.343 2.598 4.112 0.372 17 0 "[ . 1 . 2]" 1
74 1 15 ARG HB3 1 16 GLY H . . 4.100 3.730 2.717 4.465 0.365 20 0 "[ . 1 . 2]" 1
75 1 15 ARG HB3 1 54 ASN HB2 . . 5.030 4.601 3.350 5.469 0.439 6 0 "[ . 1 . 2]" 1
76 1 15 ARG QD 1 66 THR MG . . 4.640 4.076 2.168 5.600 0.960 7 3 "[ . +- 1 . * 2]" 1
77 1 16 GLY H 1 17 LYS H . . 4.120 2.726 2.572 2.980 . 0 0 "[ . 1 . 2]" 1
78 1 17 LYS H 1 17 LYS HB2 . . 3.960 2.521 2.423 2.624 . 0 0 "[ . 1 . 2]" 1
79 1 17 LYS H 1 17 LYS HG2 . . 3.830 2.458 2.227 3.674 . 0 0 "[ . 1 . 2]" 1
80 1 17 LYS H 1 17 LYS HG3 . . 4.270 3.612 2.411 3.880 . 0 0 "[ . 1 . 2]" 1
81 1 17 LYS H 1 18 TYR H . . 4.910 4.616 4.083 4.687 . 0 0 "[ . 1 . 2]" 1
82 1 17 LYS HA 1 17 LYS QE . . 5.260 4.054 2.616 4.297 . 0 0 "[ . 1 . 2]" 1
83 1 17 LYS HA 1 17 LYS HG2 . . 4.040 3.199 2.309 3.447 . 0 0 "[ . 1 . 2]" 1
84 1 17 LYS HA 1 17 LYS HG3 . . 4.000 3.726 2.950 3.846 . 0 0 "[ . 1 . 2]" 1
85 1 17 LYS HA 1 18 TYR H . . 2.670 2.193 2.064 2.259 . 0 0 "[ . 1 . 2]" 1
86 1 17 LYS HA 1 18 TYR HB3 . . 4.560 4.714 4.541 4.946 0.386 14 0 "[ . 1 . 2]" 1
87 1 17 LYS HB2 1 18 TYR H . . 4.230 4.043 3.858 4.314 0.084 14 0 "[ . 1 . 2]" 1
88 1 17 LYS HB2 1 18 TYR HA . . 4.830 4.628 4.424 4.874 0.044 14 0 "[ . 1 . 2]" 1
89 1 17 LYS HB2 1 55 THR H . . 4.730 3.918 3.550 4.709 . 0 0 "[ . 1 . 2]" 1
90 1 17 LYS HB2 1 56 ILE HB . . 5.250 4.801 4.204 5.252 0.002 1 0 "[ . 1 . 2]" 1
91 1 17 LYS HB2 1 65 SER HB3 . . 4.410 3.074 2.434 3.602 . 0 0 "[ . 1 . 2]" 1
92 1 17 LYS HB3 1 65 SER HB3 . . 4.570 4.145 3.033 4.893 0.323 9 0 "[ . 1 . 2]" 1
93 1 18 TYR H 1 18 TYR QD . . 3.590 3.334 2.983 3.469 . 0 0 "[ . 1 . 2]" 1
94 1 18 TYR HA 1 18 TYR HB3 . . 2.900 2.434 2.382 2.486 . 0 0 "[ . 1 . 2]" 1
95 1 18 TYR HA 1 18 TYR QD . . 4.060 3.784 3.772 3.797 . 0 0 "[ . 1 . 2]" 1
96 1 18 TYR HA 1 19 VAL H . . 3.000 2.328 2.278 2.395 . 0 0 "[ . 1 . 2]" 1
97 1 18 TYR HA 1 19 VAL QG . . 4.040 3.218 3.042 3.328 . 0 0 "[ . 1 . 2]" 1
98 1 18 TYR HA 1 39 VAL QG . . 5.500 6.096 5.782 6.402 0.902 10 15 "[****** **+*-* .* **]" 1
99 1 18 TYR HA 1 52 TRP H . . 5.000 4.715 4.596 4.818 . 0 0 "[ . 1 . 2]" 1
100 1 18 TYR HA 1 53 LYS HA . . 3.630 3.096 2.691 3.519 . 0 0 "[ . 1 . 2]" 1
101 1 18 TYR HA 1 54 ASN H . . 4.240 3.659 3.408 4.063 . 0 0 "[ . 1 . 2]" 1
102 1 18 TYR HA 1 55 THR H . . 3.210 2.673 2.345 2.869 . 0 0 "[ . 1 . 2]" 1
103 1 18 TYR HA 1 55 THR HB . . 3.750 3.316 3.033 3.597 . 0 0 "[ . 1 . 2]" 1
104 1 18 TYR HB2 1 19 VAL H . . 3.630 2.349 2.277 2.423 . 0 0 "[ . 1 . 2]" 1
105 1 18 TYR HB2 1 51 VAL QG . . 4.360 3.126 3.010 3.196 . 0 0 "[ . 1 . 2]" 1
106 1 18 TYR HB2 1 53 LYS HA . . 4.430 3.049 2.861 3.217 . 0 0 "[ . 1 . 2]" 1
107 1 18 TYR HB2 1 55 THR H . . 5.500 4.792 4.449 4.992 . 0 0 "[ . 1 . 2]" 1
108 1 18 TYR HB3 1 19 VAL H . . 3.870 3.649 3.606 3.692 . 0 0 "[ . 1 . 2]" 1
109 1 18 TYR HB3 1 51 VAL HB . . 4.560 3.650 3.448 3.874 . 0 0 "[ . 1 . 2]" 1
110 1 18 TYR HB3 1 51 VAL QG . . 4.520 3.704 3.473 3.808 . 0 0 "[ . 1 . 2]" 1
111 1 18 TYR HB3 1 52 TRP H . . 5.500 4.948 4.930 4.967 . 0 0 "[ . 1 . 2]" 1
112 1 18 TYR HB3 1 53 LYS H . . 5.500 4.662 4.471 4.775 . 0 0 "[ . 1 . 2]" 1
113 1 18 TYR HB3 1 53 LYS HA . . 3.230 2.229 2.076 2.350 . 0 0 "[ . 1 . 2]" 1
114 1 18 TYR HB3 1 53 LYS HG2 . . 4.720 3.340 2.361 4.670 . 0 0 "[ . 1 . 2]" 1
115 1 18 TYR HB3 1 54 ASN H . . 4.380 3.452 3.073 3.842 . 0 0 "[ . 1 . 2]" 1
116 1 18 TYR HB3 1 55 THR H . . 5.500 4.313 3.925 4.590 . 0 0 "[ . 1 . 2]" 1
117 1 18 TYR QD 1 19 VAL H . . 3.970 3.354 3.107 3.466 . 0 0 "[ . 1 . 2]" 1
118 1 18 TYR QD 1 19 VAL HA . . 4.270 3.343 3.133 3.612 . 0 0 "[ . 1 . 2]" 1
119 1 18 TYR QD 1 19 VAL QG . . 4.900 4.264 4.124 4.380 . 0 0 "[ . 1 . 2]" 1
120 1 18 TYR QD 1 20 VAL H . . 5.270 3.976 3.675 4.210 . 0 0 "[ . 1 . 2]" 1
121 1 18 TYR QD 1 51 VAL H . . 5.500 6.207 6.075 6.317 0.817 10 20 [*******-*+**********] 1
122 1 18 TYR QD 1 51 VAL HB . . 3.570 2.888 2.669 3.128 . 0 0 "[ . 1 . 2]" 1
123 1 18 TYR QD 1 51 VAL QG . . 3.420 2.433 2.346 2.519 . 0 0 "[ . 1 . 2]" 1
124 1 18 TYR QD 1 52 TRP H . . 4.950 4.318 4.097 4.486 . 0 0 "[ . 1 . 2]" 1
125 1 18 TYR QE 1 51 VAL HB . . 4.700 4.526 4.369 4.712 0.012 5 0 "[ . 1 . 2]" 1
126 1 18 TYR QE 1 51 VAL QG . . 3.800 2.793 2.665 2.884 . 0 0 "[ . 1 . 2]" 1
127 1 19 VAL H 1 19 VAL QG . . 3.490 2.307 2.224 2.373 . 0 0 "[ . 1 . 2]" 1
128 1 19 VAL H 1 51 VAL HA . . 4.620 4.441 4.254 4.570 . 0 0 "[ . 1 . 2]" 1
129 1 19 VAL H 1 51 VAL HB . . 4.360 3.723 3.513 3.930 . 0 0 "[ . 1 . 2]" 1
130 1 19 VAL H 1 52 TRP H . . 3.790 2.886 2.759 2.973 . 0 0 "[ . 1 . 2]" 1
131 1 19 VAL H 1 52 TRP HA . . 4.780 4.787 4.765 4.808 0.028 5 0 "[ . 1 . 2]" 1
132 1 19 VAL H 1 52 TRP QB . . 4.170 2.985 2.804 3.110 . 0 0 "[ . 1 . 2]" 1
133 1 19 VAL H 1 55 THR H . . 5.290 4.343 3.978 4.684 . 0 0 "[ . 1 . 2]" 1
134 1 19 VAL H 1 55 THR HB . . 4.120 3.292 3.135 3.474 . 0 0 "[ . 1 . 2]" 1
135 1 19 VAL HA 1 19 VAL QG . . 3.120 2.187 2.136 2.270 . 0 0 "[ . 1 . 2]" 1
136 1 19 VAL HA 1 20 VAL H . . 2.630 2.228 2.163 2.302 . 0 0 "[ . 1 . 2]" 1
137 1 19 VAL HA 1 20 VAL HB . . 4.900 4.538 4.282 4.772 . 0 0 "[ . 1 . 2]" 1
138 1 19 VAL HB 1 20 VAL H . . 3.710 3.088 2.930 3.244 . 0 0 "[ . 1 . 2]" 1
139 1 19 VAL HB 1 52 TRP H . . 5.030 4.896 4.742 5.025 . 0 0 "[ . 1 . 2]" 1
140 1 19 VAL HB 1 52 TRP QB . . 4.350 4.124 4.012 4.221 . 0 0 "[ . 1 . 2]" 1
141 1 19 VAL HB 1 55 THR HB . . 4.880 5.191 5.150 5.232 0.352 4 0 "[ . 1 . 2]" 1
142 1 19 VAL HB 1 62 TYR QE . . 4.040 3.751 3.120 4.585 0.545 1 1 "[+ . 1 . 2]" 1
143 1 19 VAL QG 1 20 VAL H . . 4.130 3.392 3.250 3.484 . 0 0 "[ . 1 . 2]" 1
144 1 19 VAL QG 1 52 TRP H . . 5.160 3.372 3.182 3.514 . 0 0 "[ . 1 . 2]" 1
145 1 19 VAL QG 1 52 TRP QB . . 3.890 2.037 1.979 2.066 . 0 0 "[ . 1 . 2]" 1
146 1 19 VAL QG 1 55 THR HB . . 3.810 2.229 2.116 2.361 . 0 0 "[ . 1 . 2]" 1
147 1 19 VAL QG 1 56 ILE H . . 4.620 3.871 3.505 4.184 . 0 0 "[ . 1 . 2]" 1
148 1 19 VAL QG 1 57 GLU HB2 . . 3.740 3.175 2.491 3.876 0.136 13 0 "[ . 1 . 2]" 1
149 1 19 VAL QG 1 62 TYR QE . . 3.190 2.474 2.205 3.058 . 0 0 "[ . 1 . 2]" 1
150 1 20 VAL H 1 20 VAL HB . . 2.960 2.450 2.351 2.564 . 0 0 "[ . 1 . 2]" 1
151 1 20 VAL H 1 20 VAL QG . . 3.860 2.292 2.099 2.454 . 0 0 "[ . 1 . 2]" 1
152 1 20 VAL H 1 51 VAL QG . . 4.440 3.870 3.641 4.010 . 0 0 "[ . 1 . 2]" 1
153 1 20 VAL HA 1 20 VAL QG . . 2.680 2.208 2.146 2.320 . 0 0 "[ . 1 . 2]" 1
154 1 20 VAL HA 1 21 VAL H . . 2.830 2.174 2.137 2.208 . 0 0 "[ . 1 . 2]" 1
155 1 20 VAL HA 1 21 VAL HA . . 4.490 4.432 4.381 4.464 . 0 0 "[ . 1 . 2]" 1
156 1 20 VAL HA 1 21 VAL HB . . 4.900 4.764 4.537 4.929 0.029 4 0 "[ . 1 . 2]" 1
157 1 20 VAL HA 1 21 VAL QG . . 3.890 3.713 3.574 3.857 . 0 0 "[ . 1 . 2]" 1
158 1 20 VAL HA 1 51 VAL HA . . 3.060 2.263 2.134 2.355 . 0 0 "[ . 1 . 2]" 1
159 1 20 VAL HA 1 51 VAL HB . . 4.260 3.855 3.594 4.061 . 0 0 "[ . 1 . 2]" 1
160 1 20 VAL HA 1 51 VAL QG . . 3.210 2.222 2.076 2.330 . 0 0 "[ . 1 . 2]" 1
161 1 20 VAL HA 1 52 TRP H . . 4.120 3.559 3.401 3.679 . 0 0 "[ . 1 . 2]" 1
162 1 20 VAL HB 1 21 VAL H . . 4.670 4.195 4.118 4.290 . 0 0 "[ . 1 . 2]" 1
163 1 20 VAL HB 1 21 VAL QG . . 5.500 5.477 5.362 5.634 0.134 7 0 "[ . 1 . 2]" 1
164 1 20 VAL QG 1 21 VAL H . . 3.820 2.540 2.418 2.699 . 0 0 "[ . 1 . 2]" 1
165 1 20 VAL QG 1 21 VAL HB . . 4.920 4.026 3.764 4.357 . 0 0 "[ . 1 . 2]" 1
166 1 20 VAL QG 1 21 VAL QG . . 4.130 3.777 3.712 3.835 . 0 0 "[ . 1 . 2]" 1
167 1 20 VAL QG 1 22 PRO QD . . 4.900 3.863 3.158 4.535 . 0 0 "[ . 1 . 2]" 1
168 1 20 VAL QG 1 49 GLU H . . 5.500 4.980 4.924 5.191 . 0 0 "[ . 1 . 2]" 1
169 1 20 VAL QG 1 49 GLU HB2 . . 3.960 2.977 2.852 3.179 . 0 0 "[ . 1 . 2]" 1
170 1 20 VAL QG 1 49 GLU HB3 . . 3.600 2.409 2.256 2.639 . 0 0 "[ . 1 . 2]" 1
171 1 20 VAL QG 1 51 VAL HA . . 4.300 3.513 3.407 3.643 . 0 0 "[ . 1 . 2]" 1
172 1 20 VAL QG 1 51 VAL QG . . 3.560 2.339 2.125 2.792 . 0 0 "[ . 1 . 2]" 1
173 1 20 VAL QG 1 52 TRP H . . 5.500 4.691 4.560 4.888 . 0 0 "[ . 1 . 2]" 1
174 1 21 VAL H 1 21 VAL HB . . 3.260 2.611 2.409 2.798 . 0 0 "[ . 1 . 2]" 1
175 1 21 VAL H 1 21 VAL QG . . 3.120 2.396 2.291 2.593 . 0 0 "[ . 1 . 2]" 1
176 1 21 VAL H 1 51 VAL HA . . 3.220 2.543 2.416 2.716 . 0 0 "[ . 1 . 2]" 1
177 1 21 VAL H 1 51 VAL HB . . 5.250 4.958 4.755 5.189 . 0 0 "[ . 1 . 2]" 1
178 1 21 VAL H 1 51 VAL QG . . 4.200 3.520 3.362 3.667 . 0 0 "[ . 1 . 2]" 1
179 1 21 VAL H 1 52 TRP H . . 4.430 3.960 3.668 4.137 . 0 0 "[ . 1 . 2]" 1
180 1 21 VAL HA 1 22 PRO QB . . 4.910 4.632 4.441 4.659 . 0 0 "[ . 1 . 2]" 1
181 1 21 VAL HA 1 22 PRO QD . . 3.140 2.077 2.031 2.101 . 0 0 "[ . 1 . 2]" 1
182 1 21 VAL HA 1 51 VAL HA . . 5.390 4.786 4.465 4.988 . 0 0 "[ . 1 . 2]" 1
183 1 21 VAL HB 1 50 TRP H . . 5.500 4.259 3.742 5.030 . 0 0 "[ . 1 . 2]" 1
184 1 21 VAL HB 1 50 TRP HB2 . . 4.240 2.375 2.190 2.865 . 0 0 "[ . 1 . 2]" 1
185 1 21 VAL HB 1 50 TRP HB3 . . 4.920 2.910 2.743 3.078 . 0 0 "[ . 1 . 2]" 1
186 1 21 VAL HB 1 51 VAL HA . . 4.820 4.350 3.909 4.750 . 0 0 "[ . 1 . 2]" 1
187 1 21 VAL QG 1 22 PRO HA . . 4.320 4.137 3.937 4.335 0.015 2 0 "[ . 1 . 2]" 1
188 1 21 VAL QG 1 22 PRO QD . . 3.360 2.340 2.125 2.616 . 0 0 "[ . 1 . 2]" 1
189 1 21 VAL QG 1 23 GLU H . . 5.500 4.739 2.138 5.273 . 0 0 "[ . 1 . 2]" 1
190 1 21 VAL QG 1 23 GLU HA . . 4.650 4.263 3.090 4.855 0.205 19 0 "[ . 1 . 2]" 1
191 1 21 VAL QG 1 25 SER H . . 4.630 3.976 3.774 4.305 . 0 0 "[ . 1 . 2]" 1
192 1 21 VAL QG 1 25 SER QB . . 3.510 2.516 2.100 3.689 0.179 6 0 "[ . 1 . 2]" 1
193 1 21 VAL QG 1 28 MET H . . 4.420 3.683 3.456 3.919 . 0 0 "[ . 1 . 2]" 1
194 1 21 VAL QG 1 28 MET HA . . 3.210 2.216 2.036 2.391 . 0 0 "[ . 1 . 2]" 1
195 1 21 VAL QG 1 28 MET HB2 . . 3.920 3.465 3.402 3.512 . 0 0 "[ . 1 . 2]" 1
196 1 21 VAL QG 1 28 MET HB3 . . 3.690 2.172 2.107 2.233 . 0 0 "[ . 1 . 2]" 1
197 1 21 VAL QG 1 28 MET ME . . 4.430 2.201 1.962 2.741 . 0 0 "[ . 1 . 2]" 1
198 1 21 VAL QG 1 28 MET QG . . 3.870 2.082 2.002 2.157 . 0 0 "[ . 1 . 2]" 1
199 1 21 VAL QG 1 29 ALA H . . 5.170 4.297 4.160 4.404 . 0 0 "[ . 1 . 2]" 1
200 1 21 VAL QG 1 41 GLY H . . 4.680 3.322 3.111 3.622 . 0 0 "[ . 1 . 2]" 1
201 1 21 VAL QG 1 41 GLY QA . . 3.800 2.019 1.922 2.116 . 0 0 "[ . 1 . 2]" 1
202 1 21 VAL QG 1 42 VAL H . . 4.510 3.422 3.234 3.641 . 0 0 "[ . 1 . 2]" 1
203 1 21 VAL QG 1 42 VAL QG . . 5.500 4.637 4.349 4.758 . 0 0 "[ . 1 . 2]" 1
204 1 21 VAL QG 1 50 TRP H . . 5.050 4.564 4.289 5.043 . 0 0 "[ . 1 . 2]" 1
205 1 21 VAL QG 1 50 TRP HB2 . . 3.880 3.133 2.870 3.589 . 0 0 "[ . 1 . 2]" 1
206 1 21 VAL QG 1 50 TRP HB3 . . 3.510 2.832 2.395 3.217 . 0 0 "[ . 1 . 2]" 1
207 1 21 VAL QG 1 51 VAL H . . 4.010 3.389 3.155 3.699 . 0 0 "[ . 1 . 2]" 1
208 1 21 VAL QG 1 51 VAL HA . . 3.400 2.656 2.455 2.910 . 0 0 "[ . 1 . 2]" 1
209 1 21 VAL QG 1 51 VAL HB . . 5.500 4.564 4.381 4.819 . 0 0 "[ . 1 . 2]" 1
210 1 21 VAL QG 1 51 VAL QG . . 4.520 3.788 3.668 3.942 . 0 0 "[ . 1 . 2]" 1
211 1 21 VAL QG 1 52 TRP H . . 4.300 3.028 2.699 3.404 . 0 0 "[ . 1 . 2]" 1
212 1 21 VAL QG 1 52 TRP HA . . 4.820 3.634 3.333 3.919 . 0 0 "[ . 1 . 2]" 1
213 1 21 VAL QG 1 52 TRP HE1 . . 5.000 3.265 2.932 3.574 . 0 0 "[ . 1 . 2]" 1
214 1 21 VAL QG 1 52 TRP HH2 . . 4.240 3.183 2.872 3.537 . 0 0 "[ . 1 . 2]" 1
215 1 21 VAL QG 1 52 TRP HZ2 . . 3.990 3.072 2.810 3.426 . 0 0 "[ . 1 . 2]" 1
216 1 22 PRO HA 1 23 GLU H . . 3.330 2.352 2.213 3.360 0.030 6 0 "[ . 1 . 2]" 1
217 1 22 PRO QB 1 24 THR H . . 4.320 2.429 2.177 2.688 . 0 0 "[ . 1 . 2]" 1
218 1 22 PRO QB 1 25 SER H . . 4.800 3.363 3.239 3.649 . 0 0 "[ . 1 . 2]" 1
219 1 22 PRO QB 1 25 SER QB . . 5.240 4.112 3.859 4.398 . 0 0 "[ . 1 . 2]" 1
220 1 22 PRO QD 1 25 SER QB . . 4.700 2.541 2.187 3.145 . 0 0 "[ . 1 . 2]" 1
221 1 22 PRO QD 1 52 TRP HH2 . . 4.490 3.076 2.236 4.127 . 0 0 "[ . 1 . 2]" 1
222 1 23 GLU H 1 23 GLU HB3 . . 3.820 2.922 2.462 4.091 0.271 6 0 "[ . 1 . 2]" 1
223 1 23 GLU HA 1 25 SER H . . 4.290 3.821 3.592 4.294 0.004 20 0 "[ . 1 . 2]" 1
224 1 23 GLU HB3 1 24 THR H . . 4.650 3.791 2.765 4.285 . 0 0 "[ . 1 . 2]" 1
225 1 24 THR H 1 24 THR MG . . 4.120 2.692 2.167 3.769 . 0 0 "[ . 1 . 2]" 1
226 1 24 THR H 1 25 SER H . . 4.190 2.666 2.540 2.866 . 0 0 "[ . 1 . 2]" 1
227 1 24 THR HA 1 24 THR HB . . 2.890 2.614 2.435 3.007 0.117 7 0 "[ . 1 . 2]" 1
228 1 24 THR HA 1 24 THR MG . . 2.810 2.411 2.350 3.068 0.258 4 0 "[ . 1 . 2]" 1
229 1 24 THR MG 1 25 SER H . . 4.980 4.042 2.642 4.294 . 0 0 "[ . 1 . 2]" 1
230 1 25 SER H 1 25 SER QB . . 3.120 2.360 2.255 2.576 . 0 0 "[ . 1 . 2]" 1
231 1 25 SER H 1 28 MET QG . . 5.310 5.085 4.629 5.692 0.382 20 0 "[ . 1 . 2]" 1
232 1 25 SER QB 1 28 MET QG . . 4.670 3.554 2.563 4.856 0.186 6 0 "[ . 1 . 2]" 1
233 1 25 SER QB 1 52 TRP HH2 . . 4.280 2.931 2.205 4.217 . 0 0 "[ . 1 . 2]" 1
234 1 25 SER QB 1 52 TRP HZ2 . . 4.750 3.724 2.902 5.087 0.337 2 0 "[ . 1 . 2]" 1
235 1 26 GLN HA 1 26 GLN HG3 . . 3.360 3.134 2.349 4.168 0.808 17 3 "[ * . 1 . + -2]" 1
236 1 26 GLN HA 1 28 MET H . . 4.860 4.143 3.616 4.699 . 0 0 "[ . 1 . 2]" 1
237 1 27 ASP H 1 28 MET H . . 4.530 2.671 2.159 3.273 . 0 0 "[ . 1 . 2]" 1
238 1 27 ASP HA 1 27 ASP HB2 . . 2.950 2.962 2.559 3.041 0.091 2 0 "[ . 1 . 2]" 1
239 1 27 ASP HB2 1 28 MET H . . 5.230 3.699 2.760 4.459 . 0 0 "[ . 1 . 2]" 1
240 1 27 ASP HB2 1 29 ALA H . . 5.040 3.533 2.763 4.830 . 0 0 "[ . 1 . 2]" 1
241 1 27 ASP HB2 1 29 ALA MB . . 4.410 3.474 2.632 4.422 0.012 6 0 "[ . 1 . 2]" 1
242 1 27 ASP HB3 1 29 ALA H . . 4.780 3.965 2.852 5.014 0.234 1 0 "[ . 1 . 2]" 1
243 1 27 ASP HB3 1 29 ALA MB . . 3.970 3.317 2.608 4.128 0.158 1 0 "[ . 1 . 2]" 1
244 1 28 MET H 1 52 TRP HZ2 . . 4.990 4.522 4.062 4.897 . 0 0 "[ . 1 . 2]" 1
245 1 28 MET HA 1 28 MET QG . . 3.940 2.384 2.274 2.498 . 0 0 "[ . 1 . 2]" 1
246 1 28 MET HA 1 29 ALA H . . 3.520 2.856 2.762 2.967 . 0 0 "[ . 1 . 2]" 1
247 1 28 MET HA 1 29 ALA HA . . 4.790 4.478 4.410 4.570 . 0 0 "[ . 1 . 2]" 1
248 1 28 MET HA 1 41 GLY H . . 4.960 4.313 4.145 4.579 . 0 0 "[ . 1 . 2]" 1
249 1 28 MET HA 1 52 TRP HE1 . . 4.680 4.124 3.566 4.441 . 0 0 "[ . 1 . 2]" 1
250 1 28 MET HA 1 52 TRP HH2 . . 4.720 4.342 4.066 4.494 . 0 0 "[ . 1 . 2]" 1
251 1 28 MET HA 1 52 TRP HZ2 . . 3.680 2.987 2.599 3.387 . 0 0 "[ . 1 . 2]" 1
252 1 28 MET HB2 1 28 MET ME . . 3.790 3.978 3.293 4.250 0.460 1 0 "[ . 1 . 2]" 1
253 1 28 MET HB2 1 29 ALA H . . 5.270 4.311 4.154 4.400 . 0 0 "[ . 1 . 2]" 1
254 1 28 MET HB2 1 29 ALA MB . . 4.830 4.368 4.100 4.557 . 0 0 "[ . 1 . 2]" 1
255 1 28 MET HB2 1 41 GLY H . . 4.160 3.199 2.730 3.574 . 0 0 "[ . 1 . 2]" 1
256 1 28 MET HB2 1 41 GLY QA . . 4.930 3.654 3.254 4.079 . 0 0 "[ . 1 . 2]" 1
257 1 28 MET HB2 1 52 TRP HE1 . . 5.350 4.928 4.531 5.072 . 0 0 "[ . 1 . 2]" 1
258 1 28 MET HB3 1 28 MET ME . . 3.830 3.304 2.317 3.839 0.009 2 0 "[ . 1 . 2]" 1
259 1 28 MET HB3 1 41 GLY H . . 3.950 2.746 2.457 3.293 . 0 0 "[ . 1 . 2]" 1
260 1 28 MET HB3 1 41 GLY QA . . 4.530 2.489 2.203 2.941 . 0 0 "[ . 1 . 2]" 1
261 1 28 MET HB3 1 52 TRP HE1 . . 4.600 4.076 3.530 4.363 . 0 0 "[ . 1 . 2]" 1
262 1 28 MET ME 1 41 GLY H . . 4.750 5.322 3.890 5.890 1.140 15 14 "[***** -*** **+ **2]" 1
263 1 28 MET ME 1 42 VAL H . . 5.500 5.613 4.457 6.107 0.607 2 6 "[ +-*. * . **2]" 1
264 1 28 MET ME 1 50 TRP HB3 . . 3.810 2.931 2.352 3.347 . 0 0 "[ . 1 . 2]" 1
265 1 28 MET ME 1 50 TRP HE1 . . 4.570 3.798 3.544 4.259 . 0 0 "[ . 1 . 2]" 1
266 1 28 MET QG 1 41 GLY H . . 5.500 4.765 4.511 5.196 . 0 0 "[ . 1 . 2]" 1
267 1 29 ALA H 1 29 ALA MB . . 3.090 2.535 2.423 2.617 . 0 0 "[ . 1 . 2]" 1
268 1 29 ALA H 1 52 TRP HE1 . . 4.810 4.218 3.657 4.516 . 0 0 "[ . 1 . 2]" 1
269 1 29 ALA H 1 52 TRP HZ2 . . 3.810 3.007 2.744 3.252 . 0 0 "[ . 1 . 2]" 1
270 1 29 ALA HA 1 30 PHE H . . 2.890 2.210 2.131 2.348 . 0 0 "[ . 1 . 2]" 1
271 1 29 ALA HA 1 30 PHE HA . . 4.870 4.510 4.472 4.574 . 0 0 "[ . 1 . 2]" 1
272 1 29 ALA HA 1 38 THR MG . . 4.500 3.684 3.285 3.991 . 0 0 "[ . 1 . 2]" 1
273 1 29 ALA HA 1 40 THR HA . . 3.290 2.605 2.170 2.912 . 0 0 "[ . 1 . 2]" 1
274 1 29 ALA HA 1 40 THR HB . . 5.500 4.670 2.762 5.176 . 0 0 "[ . 1 . 2]" 1
275 1 29 ALA HA 1 40 THR MG . . 4.460 3.425 2.971 4.258 . 0 0 "[ . 1 . 2]" 1
276 1 29 ALA HA 1 41 GLY H . . 4.220 3.850 3.614 4.167 . 0 0 "[ . 1 . 2]" 1
277 1 29 ALA HA 1 52 TRP HD1 . . 4.940 4.600 3.934 4.936 . 0 0 "[ . 1 . 2]" 1
278 1 29 ALA HA 1 52 TRP HE1 . . 3.330 2.423 2.034 2.658 . 0 0 "[ . 1 . 2]" 1
279 1 29 ALA HA 1 52 TRP HZ2 . . 4.250 3.368 3.093 3.995 . 0 0 "[ . 1 . 2]" 1
280 1 29 ALA MB 1 30 PHE H . . 3.220 2.758 2.547 3.002 . 0 0 "[ . 1 . 2]" 1
281 1 29 ALA MB 1 30 PHE HA . . 4.340 3.959 3.824 4.098 . 0 0 "[ . 1 . 2]" 1
282 1 29 ALA MB 1 38 THR HB . . 5.070 4.822 4.512 5.506 0.436 10 0 "[ . 1 . 2]" 1
283 1 29 ALA MB 1 39 VAL H . . 4.600 4.543 4.253 4.889 0.289 19 0 "[ . 1 . 2]" 1
284 1 29 ALA MB 1 40 THR HA . . 3.410 3.202 2.738 3.428 0.018 8 0 "[ . 1 . 2]" 1
285 1 29 ALA MB 1 40 THR HB . . 4.850 4.033 2.210 4.555 . 0 0 "[ . 1 . 2]" 1
286 1 29 ALA MB 1 52 TRP HE1 . . 4.200 4.004 3.652 4.208 0.008 9 0 "[ . 1 . 2]" 1
287 1 30 PHE H 1 38 THR HA . . 4.640 4.259 4.025 4.490 . 0 0 "[ . 1 . 2]" 1
288 1 30 PHE H 1 38 THR MG . . 3.840 2.926 2.678 3.212 . 0 0 "[ . 1 . 2]" 1
289 1 30 PHE H 1 39 VAL H . . 3.500 3.092 2.919 3.234 . 0 0 "[ . 1 . 2]" 1
290 1 30 PHE H 1 39 VAL HB . . 3.860 4.472 3.371 4.736 0.876 18 17 "[***** **** -* ***+**]" 1
291 1 30 PHE H 1 39 VAL QG . . 3.880 2.570 2.247 3.697 . 0 0 "[ . 1 . 2]" 1
292 1 30 PHE H 1 52 TRP HE1 . . 4.250 3.617 3.211 4.137 . 0 0 "[ . 1 . 2]" 1
293 1 30 PHE HA 1 31 LYS H . . 3.100 2.498 2.334 2.693 . 0 0 "[ . 1 . 2]" 1
294 1 30 PHE HB2 1 31 LYS H . . 4.400 3.973 3.648 4.151 . 0 0 "[ . 1 . 2]" 1
295 1 30 PHE HB3 1 31 LYS H . . 3.970 3.030 2.265 3.490 . 0 0 "[ . 1 . 2]" 1
296 1 31 LYS H 1 31 LYS HB3 . . 3.050 2.680 2.438 3.105 0.055 11 0 "[ . 1 . 2]" 1
297 1 31 LYS HA 1 31 LYS HD3 . . 4.640 4.543 3.566 5.168 0.528 3 1 "[ + . 1 . 2]" 1
298 1 31 LYS HA 1 31 LYS QG . . 3.300 2.513 2.334 3.259 . 0 0 "[ . 1 . 2]" 1
299 1 31 LYS HA 1 32 CYS H . . 2.770 2.138 2.067 2.244 . 0 0 "[ . 1 . 2]" 1
300 1 31 LYS HA 1 32 CYS HB3 . . 4.850 4.628 4.497 4.855 0.005 6 0 "[ . 1 . 2]" 1
301 1 31 LYS HA 1 39 VAL H . . 3.910 3.165 2.767 3.616 . 0 0 "[ . 1 . 2]" 1
302 1 31 LYS HB3 1 31 LYS HE2 . . 4.190 3.512 2.066 4.874 0.684 9 3 "[ .- +1 . * 2]" 1
303 1 31 LYS HB3 1 32 CYS H . . 4.450 4.021 3.496 4.458 0.008 12 0 "[ . 1 . 2]" 1
304 1 31 LYS HE2 1 31 LYS QG . . 3.680 2.795 2.356 3.601 . 0 0 "[ . 1 . 2]" 1
305 1 31 LYS QG 1 32 CYS H . . 3.780 2.564 2.119 3.316 . 0 0 "[ . 1 . 2]" 1
306 1 31 LYS QG 1 36 LYS HA . . 3.530 3.108 2.668 3.486 . 0 0 "[ . 1 . 2]" 1
307 1 31 LYS QG 1 37 GLU H . . 4.240 3.371 2.977 3.942 . 0 0 "[ . 1 . 2]" 1
308 1 32 CYS H 1 32 CYS HB2 . . 3.330 2.501 2.297 2.862 . 0 0 "[ . 1 . 2]" 1
309 1 32 CYS H 1 32 CYS HB3 . . 3.240 2.547 2.441 2.723 . 0 0 "[ . 1 . 2]" 1
310 1 32 CYS H 1 38 THR HA . . 3.620 3.484 3.123 3.644 0.024 3 0 "[ . 1 . 2]" 1
311 1 32 CYS H 1 39 VAL H . . 4.710 4.207 3.755 4.575 . 0 0 "[ . 1 . 2]" 1
312 1 32 CYS H 1 39 VAL QG . . 4.490 3.936 3.371 5.068 0.578 17 1 "[ . 1 . + 2]" 1
313 1 32 CYS HA 1 33 PRO HD2 . . 3.600 2.397 2.089 2.645 . 0 0 "[ . 1 . 2]" 1
314 1 32 CYS HA 1 64 HIS H . . 5.150 4.094 3.848 4.355 . 0 0 "[ . 1 . 2]" 1
315 1 32 CYS HB2 1 35 CYS H . . 4.850 4.554 4.455 4.598 . 0 0 "[ . 1 . 2]" 1
316 1 32 CYS HB2 1 36 LYS H . . 5.500 5.061 5.015 5.090 . 0 0 "[ . 1 . 2]" 1
317 1 32 CYS HB2 1 37 GLU H . . 3.800 3.524 3.496 3.544 . 0 0 "[ . 1 . 2]" 1
318 1 32 CYS HB2 1 39 VAL QG . . 4.020 3.651 3.335 4.571 0.551 15 2 "[ . 1 + - 2]" 1
319 1 32 CYS HB2 1 64 HIS H . . 4.750 3.942 3.762 4.238 . 0 0 "[ . 1 . 2]" 1
320 1 32 CYS HB3 1 35 CYS H . . 4.040 3.254 3.135 3.356 . 0 0 "[ . 1 . 2]" 1
321 1 32 CYS HB3 1 36 LYS H . . 3.920 3.382 3.334 3.406 . 0 0 "[ . 1 . 2]" 1
322 1 32 CYS HB3 1 37 GLU H . . 3.750 2.041 1.999 2.100 . 0 0 "[ . 1 . 2]" 1
323 1 32 CYS HB3 1 39 VAL QG . . 5.280 4.800 4.475 5.671 0.391 17 0 "[ . 1 . 2]" 1
324 1 32 CYS HB3 1 64 HIS H . . 5.500 4.889 4.719 5.171 . 0 0 "[ . 1 . 2]" 1
325 1 32 CYS HB3 1 64 HIS HE1 . . 4.890 3.506 3.279 3.724 . 0 0 "[ . 1 . 2]" 1
326 1 33 PRO HB3 1 34 ILE H . . 4.460 4.359 4.250 4.453 . 0 0 "[ . 1 . 2]" 1
327 1 33 PRO HD2 1 34 ILE H . . 4.050 2.968 2.715 3.251 . 0 0 "[ . 1 . 2]" 1
328 1 33 PRO HD2 1 62 TYR HB3 . . 5.500 5.826 5.451 6.068 0.568 5 4 "[ + *1 * - 2]" 1
329 1 33 PRO HD2 1 63 PHE HA . . 3.540 3.062 2.594 3.552 0.012 9 0 "[ . 1 . 2]" 1
330 1 33 PRO HD2 1 63 PHE QD . . 4.230 2.598 2.116 2.930 . 0 0 "[ . 1 . 2]" 1
331 1 33 PRO HD3 1 63 PHE HA . . 4.880 4.088 3.617 4.684 . 0 0 "[ . 1 . 2]" 1
332 1 34 ILE H 1 34 ILE HB . . 3.070 2.417 2.368 2.509 . 0 0 "[ . 1 . 2]" 1
333 1 34 ILE H 1 34 ILE MD . . 4.080 3.509 3.213 3.651 . 0 0 "[ . 1 . 2]" 1
334 1 34 ILE H 1 34 ILE HG12 . . 3.960 3.688 3.488 3.832 . 0 0 "[ . 1 . 2]" 1
335 1 34 ILE H 1 34 ILE HG13 . . 3.670 2.348 2.206 2.530 . 0 0 "[ . 1 . 2]" 1
336 1 34 ILE H 1 34 ILE MG . . 3.900 3.797 3.776 3.816 . 0 0 "[ . 1 . 2]" 1
337 1 34 ILE H 1 35 CYS H . . 3.120 2.781 2.718 2.911 . 0 0 "[ . 1 . 2]" 1
338 1 34 ILE H 1 36 LYS H . . 3.930 3.555 3.450 3.609 . 0 0 "[ . 1 . 2]" 1
339 1 34 ILE HA 1 34 ILE MD . . 4.000 3.893 3.866 3.949 . 0 0 "[ . 1 . 2]" 1
340 1 34 ILE HA 1 34 ILE HG12 . . 3.710 2.593 2.502 2.802 . 0 0 "[ . 1 . 2]" 1
341 1 34 ILE HA 1 34 ILE HG13 . . 3.230 2.857 2.755 3.057 . 0 0 "[ . 1 . 2]" 1
342 1 34 ILE HA 1 34 ILE MG . . 3.060 2.474 2.409 2.505 . 0 0 "[ . 1 . 2]" 1
343 1 34 ILE HB 1 34 ILE MD . . 3.380 2.409 2.330 2.481 . 0 0 "[ . 1 . 2]" 1
344 1 34 ILE HB 1 35 CYS H . . 3.180 2.393 2.327 2.440 . 0 0 "[ . 1 . 2]" 1
345 1 34 ILE HB 1 36 LYS H . . 4.430 4.460 4.448 4.490 0.060 18 0 "[ . 1 . 2]" 1
346 1 34 ILE HB 1 64 HIS HB2 . . 5.030 4.705 4.592 4.825 . 0 0 "[ . 1 . 2]" 1
347 1 34 ILE HB 1 67 CYS HB2 . . 4.070 3.659 3.557 3.872 . 0 0 "[ . 1 . 2]" 1
348 1 34 ILE HB 1 67 CYS HB3 . . 3.470 2.578 2.426 2.860 . 0 0 "[ . 1 . 2]" 1
349 1 34 ILE MD 1 35 CYS H . . 4.840 4.409 4.259 4.475 . 0 0 "[ . 1 . 2]" 1
350 1 34 ILE MD 1 63 PHE HB3 . . 4.180 2.780 2.393 3.108 . 0 0 "[ . 1 . 2]" 1
351 1 34 ILE MD 1 63 PHE QD . . 3.450 2.434 2.177 2.912 . 0 0 "[ . 1 . 2]" 1
352 1 34 ILE MD 1 64 HIS H . . 5.100 3.418 2.943 3.827 . 0 0 "[ . 1 . 2]" 1
353 1 34 ILE MD 1 67 CYS HB2 . . 3.800 2.739 2.609 2.843 . 0 0 "[ . 1 . 2]" 1
354 1 34 ILE MD 1 67 CYS HB3 . . 3.490 2.245 2.122 2.342 . 0 0 "[ . 1 . 2]" 1
355 1 34 ILE MD 1 68 TYR H . . 4.270 3.142 3.022 3.344 . 0 0 "[ . 1 . 2]" 1
356 1 34 ILE MD 1 68 TYR HA . . 3.490 2.551 2.344 2.928 . 0 0 "[ . 1 . 2]" 1
357 1 34 ILE MD 1 68 TYR QB . . 4.860 3.020 2.710 3.310 . 0 0 "[ . 1 . 2]" 1
358 1 34 ILE MD 1 68 TYR QD . . 3.950 3.344 2.430 4.198 0.248 14 0 "[ . 1 . 2]" 1
359 1 34 ILE HG12 1 34 ILE MG . . 3.480 2.373 2.301 2.439 . 0 0 "[ . 1 . 2]" 1
360 1 34 ILE HG12 1 63 PHE QD . . 4.240 4.022 3.800 4.866 0.626 16 1 "[ . 1 .+ 2]" 1
361 1 34 ILE HG13 1 34 ILE MG . . 3.250 3.238 3.218 3.261 0.011 17 0 "[ . 1 . 2]" 1
362 1 34 ILE HG13 1 63 PHE QD . . 4.490 2.539 2.283 3.875 . 0 0 "[ . 1 . 2]" 1
363 1 34 ILE MG 1 35 CYS H . . 3.650 3.070 2.936 3.266 . 0 0 "[ . 1 . 2]" 1
364 1 34 ILE MG 1 35 CYS HA . . 4.310 3.557 3.447 3.759 . 0 0 "[ . 1 . 2]" 1
365 1 34 ILE MG 1 35 CYS HB2 . . 4.930 4.437 4.312 4.625 . 0 0 "[ . 1 . 2]" 1
366 1 34 ILE MG 1 35 CYS HB3 . . 4.150 3.016 2.866 3.253 . 0 0 "[ . 1 . 2]" 1
367 1 34 ILE MG 1 67 CYS HB2 . . 3.750 3.766 3.644 3.834 0.084 7 0 "[ . 1 . 2]" 1
368 1 34 ILE MG 1 67 CYS HB3 . . 3.190 2.248 2.122 2.313 . 0 0 "[ . 1 . 2]" 1
369 1 34 ILE MG 1 68 TYR QB . . 5.500 5.308 5.022 5.588 0.088 2 0 "[ . 1 . 2]" 1
370 1 35 CYS H 1 35 CYS HB2 . . 3.750 3.693 3.653 3.725 . 0 0 "[ . 1 . 2]" 1
371 1 35 CYS H 1 35 CYS HB3 . . 3.980 2.792 2.726 2.871 . 0 0 "[ . 1 . 2]" 1
372 1 35 CYS H 1 36 LYS H . . 2.960 2.352 2.232 2.452 . 0 0 "[ . 1 . 2]" 1
373 1 35 CYS H 1 36 LYS HA . . 4.550 4.511 4.405 4.649 0.099 3 0 "[ . 1 . 2]" 1
374 1 35 CYS H 1 37 GLU H . . 4.140 3.861 3.754 3.954 . 0 0 "[ . 1 . 2]" 1
375 1 35 CYS HA 1 35 CYS HB2 . . 2.910 2.340 2.329 2.354 . 0 0 "[ . 1 . 2]" 1
376 1 35 CYS HA 1 35 CYS HB3 . . 2.890 2.485 2.468 2.507 . 0 0 "[ . 1 . 2]" 1
377 1 35 CYS HA 1 37 GLU H . . 5.120 5.107 5.006 5.143 0.023 10 0 "[ . 1 . 2]" 1
378 1 35 CYS HB2 1 37 GLU H . . 4.910 4.953 4.932 4.973 0.063 20 0 "[ . 1 . 2]" 1
379 1 35 CYS HB3 1 36 LYS H . . 5.080 4.389 4.350 4.434 . 0 0 "[ . 1 . 2]" 1
380 1 36 LYS H 1 36 LYS HA . . 2.720 2.261 2.222 2.290 . 0 0 "[ . 1 . 2]" 1
381 1 36 LYS H 1 36 LYS HB2 . . 3.790 3.694 3.038 4.051 0.261 2 0 "[ . 1 . 2]" 1
382 1 36 LYS H 1 36 LYS HG2 . . 4.460 3.750 2.995 4.552 0.092 14 0 "[ . 1 . 2]" 1
383 1 36 LYS H 1 36 LYS HG3 . . 4.410 3.782 2.883 4.471 0.061 3 0 "[ . 1 . 2]" 1
384 1 36 LYS H 1 37 GLU H . . 3.260 2.789 2.687 2.887 . 0 0 "[ . 1 . 2]" 1
385 1 36 LYS HA 1 36 LYS HG2 . . 4.250 3.203 2.432 3.921 . 0 0 "[ . 1 . 2]" 1
386 1 36 LYS HA 1 36 LYS HG3 . . 4.050 3.217 2.389 3.841 . 0 0 "[ . 1 . 2]" 1
387 1 36 LYS HE3 1 36 LYS HG2 . . 4.140 3.104 2.444 4.279 0.139 11 0 "[ . 1 . 2]" 1
388 1 37 GLU H 1 37 GLU HB3 . . 3.610 3.744 3.660 3.775 0.165 15 0 "[ . 1 . 2]" 1
389 1 37 GLU H 1 37 GLU HG2 . . 3.650 3.483 3.211 4.275 0.625 4 4 "[ +- * 1 * . 2]" 1
390 1 37 GLU H 1 64 HIS HE1 . . 4.710 4.242 4.028 4.510 . 0 0 "[ . 1 . 2]" 1
391 1 37 GLU HA 1 37 GLU HB3 . . 2.860 2.550 2.508 2.621 . 0 0 "[ . 1 . 2]" 1
392 1 37 GLU HA 1 37 GLU HG2 . . 3.840 2.861 2.262 3.078 . 0 0 "[ . 1 . 2]" 1
393 1 37 GLU HA 1 37 GLU HG3 . . 3.640 3.559 2.879 3.743 0.103 16 0 "[ . 1 . 2]" 1
394 1 37 GLU HA 1 38 THR H . . 2.700 2.264 2.100 2.648 . 0 0 "[ . 1 . 2]" 1
395 1 37 GLU HB3 1 38 THR H . . 3.020 2.718 2.038 3.046 0.026 7 0 "[ . 1 . 2]" 1
396 1 37 GLU HB3 1 38 THR HB . . 5.130 4.966 4.708 5.145 0.015 12 0 "[ . 1 . 2]" 1
397 1 37 GLU HB3 1 39 VAL QG . . 5.440 4.761 4.204 5.612 0.172 17 0 "[ . 1 . 2]" 1
398 1 37 GLU HB3 1 64 HIS HE1 . . 3.050 2.949 2.698 3.170 0.120 14 0 "[ . 1 . 2]" 1
399 1 37 GLU HG2 1 38 THR H . . 4.450 4.590 3.750 4.963 0.513 14 1 "[ . 1 +. 2]" 1
400 1 37 GLU HG2 1 64 HIS HE1 . . 4.520 4.437 4.074 4.530 0.010 5 0 "[ . 1 . 2]" 1
401 1 37 GLU HG3 1 64 HIS HE1 . . 4.450 3.779 2.987 4.200 . 0 0 "[ . 1 . 2]" 1
402 1 38 THR H 1 38 THR HB . . 2.970 2.543 2.411 2.800 . 0 0 "[ . 1 . 2]" 1
403 1 38 THR H 1 38 THR MG . . 4.030 3.841 3.780 3.972 . 0 0 "[ . 1 . 2]" 1
404 1 38 THR HA 1 38 THR MG . . 3.070 2.419 2.364 2.516 . 0 0 "[ . 1 . 2]" 1
405 1 38 THR HA 1 39 VAL H . . 2.760 2.146 2.118 2.187 . 0 0 "[ . 1 . 2]" 1
406 1 38 THR HA 1 39 VAL QG . . 4.130 3.581 3.423 4.079 . 0 0 "[ . 1 . 2]" 1
407 1 38 THR HB 1 39 VAL H . . 4.360 4.252 4.007 4.377 0.017 15 0 "[ . 1 . 2]" 1
408 1 38 THR MG 1 39 VAL H . . 3.380 2.815 2.395 2.996 . 0 0 "[ . 1 . 2]" 1
409 1 38 THR MG 1 39 VAL HA . . 4.230 3.934 3.484 4.156 . 0 0 "[ . 1 . 2]" 1
410 1 38 THR MG 1 40 THR HA . . 4.570 4.137 3.812 4.414 . 0 0 "[ . 1 . 2]" 1
411 1 39 VAL H 1 39 VAL HB . . 3.680 3.478 2.604 3.711 0.031 10 0 "[ . 1 . 2]" 1
412 1 39 VAL H 1 39 VAL QG . . 3.400 2.091 1.973 2.351 . 0 0 "[ . 1 . 2]" 1
413 1 39 VAL HA 1 39 VAL QG . . 3.140 2.178 2.121 2.215 . 0 0 "[ . 1 . 2]" 1
414 1 39 VAL HA 1 40 THR H . . 2.710 2.227 2.108 2.307 . 0 0 "[ . 1 . 2]" 1
415 1 39 VAL HA 1 40 THR HA . . 4.610 4.490 4.437 4.550 . 0 0 "[ . 1 . 2]" 1
416 1 39 VAL HA 1 40 THR MG . . 4.230 3.741 3.509 3.989 . 0 0 "[ . 1 . 2]" 1
417 1 39 VAL HB 1 40 THR H . . 4.890 3.110 2.657 4.183 . 0 0 "[ . 1 . 2]" 1
418 1 39 VAL HB 1 52 TRP HD1 . . 5.170 2.905 2.320 5.512 0.342 15 0 "[ . 1 . 2]" 1
419 1 39 VAL HB 1 52 TRP HE1 . . 5.500 4.240 3.350 6.745 1.245 17 3 "[ . 1 * +- 2]" 1
420 1 39 VAL QG 1 40 THR H . . 3.320 3.062 2.226 3.491 0.171 9 0 "[ . 1 . 2]" 1
421 1 39 VAL QG 1 40 THR HA . . 4.400 4.035 3.446 4.512 0.112 11 0 "[ . 1 . 2]" 1
422 1 39 VAL QG 1 41 GLY QA . . 5.500 4.949 3.987 5.328 . 0 0 "[ . 1 . 2]" 1
423 1 39 VAL QG 1 52 TRP HA . . 3.720 4.021 2.973 4.425 0.705 19 7 "[** *. ** - . +2]" 1
424 1 39 VAL QG 1 52 TRP QB . . 4.210 3.136 2.672 3.524 . 0 0 "[ . 1 . 2]" 1
425 1 39 VAL QG 1 52 TRP HD1 . . 3.280 3.012 2.190 3.440 0.160 11 0 "[ . 1 . 2]" 1
426 1 39 VAL QG 1 52 TRP HE1 . . 4.330 3.380 3.092 4.123 . 0 0 "[ . 1 . 2]" 1
427 1 39 VAL QG 1 53 LYS H . . 3.870 4.323 3.427 4.762 0.892 4 13 "[***+*- *** * .* **]" 1
428 1 39 VAL QG 1 53 LYS HA . . 4.760 5.509 4.954 5.871 1.111 10 16 "[*********+-** .* **]" 1
429 1 39 VAL QG 1 55 THR H . . 5.470 4.879 4.206 5.162 . 0 0 "[ . 1 . 2]" 1
430 1 39 VAL QG 1 55 THR HB . . 4.740 3.978 3.783 4.100 . 0 0 "[ . 1 . 2]" 1
431 1 39 VAL QG 1 64 HIS H . . 5.500 5.025 4.622 5.939 0.439 18 0 "[ . 1 . 2]" 1
432 1 39 VAL QG 1 64 HIS HE1 . . 4.550 3.853 3.628 4.806 0.256 18 0 "[ . 1 . 2]" 1
433 1 40 THR H 1 40 THR HB . . 3.910 3.817 3.615 3.879 . 0 0 "[ . 1 . 2]" 1
434 1 40 THR H 1 40 THR MG . . 3.680 3.015 2.600 3.146 . 0 0 "[ . 1 . 2]" 1
435 1 40 THR H 1 41 GLY H . . 4.750 4.440 4.371 4.531 . 0 0 "[ . 1 . 2]" 1
436 1 40 THR HA 1 40 THR MG . . 3.240 2.382 2.296 3.211 . 0 0 "[ . 1 . 2]" 1
437 1 40 THR HA 1 41 GLY H . . 2.870 2.216 2.173 2.306 . 0 0 "[ . 1 . 2]" 1
438 1 40 THR HA 1 41 GLY QA . . 4.570 3.898 3.779 3.932 . 0 0 "[ . 1 . 2]" 1
439 1 40 THR HA 1 52 TRP HD1 . . 4.310 3.589 3.084 4.082 . 0 0 "[ . 1 . 2]" 1
440 1 40 THR HA 1 52 TRP HE1 . . 3.540 2.611 1.937 3.088 . 0 0 "[ . 1 . 2]" 1
441 1 40 THR HB 1 41 GLY H . . 3.520 2.905 2.581 3.574 0.054 6 0 "[ . 1 . 2]" 1
442 1 40 THR MG 1 41 GLY H . . 4.060 3.786 3.727 3.830 . 0 0 "[ . 1 . 2]" 1
443 1 41 GLY H 1 42 VAL H . . 4.830 4.646 4.622 4.683 . 0 0 "[ . 1 . 2]" 1
444 1 41 GLY H 1 52 TRP HD1 . . 4.130 3.779 3.338 4.137 0.007 7 0 "[ . 1 . 2]" 1
445 1 41 GLY H 1 52 TRP HE1 . . 3.470 2.862 2.525 3.252 . 0 0 "[ . 1 . 2]" 1
446 1 41 GLY QA 1 42 VAL H . . 3.260 2.158 2.112 2.210 . 0 0 "[ . 1 . 2]" 1
447 1 41 GLY QA 1 42 VAL QG . . 4.620 3.409 3.205 3.740 . 0 0 "[ . 1 . 2]" 1
448 1 41 GLY QA 1 51 VAL H . . 4.700 3.749 3.595 3.882 . 0 0 "[ . 1 . 2]" 1
449 1 41 GLY QA 1 52 TRP HA . . 5.170 2.986 2.600 3.364 . 0 0 "[ . 1 . 2]" 1
450 1 41 GLY QA 1 52 TRP HD1 . . 3.930 3.066 2.294 3.592 . 0 0 "[ . 1 . 2]" 1
451 1 41 GLY QA 1 52 TRP HE1 . . 4.530 3.580 2.979 3.871 . 0 0 "[ . 1 . 2]" 1
452 1 42 VAL H 1 42 VAL HB . . 3.920 2.883 2.632 3.876 . 0 0 "[ . 1 . 2]" 1
453 1 42 VAL H 1 42 VAL QG . . 3.430 2.717 2.286 2.891 . 0 0 "[ . 1 . 2]" 1
454 1 42 VAL H 1 43 TYR H . . 4.580 4.445 4.378 4.528 . 0 0 "[ . 1 . 2]" 1
455 1 42 VAL H 1 50 TRP HB3 . . 4.790 3.619 3.339 3.979 . 0 0 "[ . 1 . 2]" 1
456 1 42 VAL H 1 51 VAL QG . . 4.250 3.264 3.140 3.429 . 0 0 "[ . 1 . 2]" 1
457 1 42 VAL H 1 52 TRP HA . . 4.200 3.935 3.854 4.050 . 0 0 "[ . 1 . 2]" 1
458 1 42 VAL H 1 52 TRP HD1 . . 5.280 4.993 4.241 5.285 0.005 1 0 "[ . 1 . 2]" 1
459 1 42 VAL HB 1 43 TYR H . . 3.350 4.051 2.740 4.263 0.913 9 18 [***-.***+1**********] 1
460 1 42 VAL QG 1 43 TYR H . . 4.310 2.633 2.340 3.491 . 0 0 "[ . 1 . 2]" 1
461 1 42 VAL QG 1 43 TYR HA . . 4.770 4.103 3.915 4.303 . 0 0 "[ . 1 . 2]" 1
462 1 42 VAL QG 1 44 ASP QB . . 5.500 4.587 3.822 5.117 . 0 0 "[ . 1 . 2]" 1
463 1 42 VAL QG 1 51 VAL H . . 4.230 3.908 3.228 4.189 . 0 0 "[ . 1 . 2]" 1
464 1 42 VAL QG 1 51 VAL HB . . 4.650 5.105 4.013 5.503 0.853 16 15 "[-***.****1* ***+ * *]" 1
465 1 42 VAL QG 1 51 VAL QG . . 3.120 3.012 2.049 3.414 0.294 4 0 "[ . 1 . 2]" 1
466 1 42 VAL QG 1 52 TRP HA . . 4.440 4.188 3.656 4.474 0.034 2 0 "[ . 1 . 2]" 1
467 1 42 VAL QG 1 53 LYS H . . 4.800 3.696 3.117 3.977 . 0 0 "[ . 1 . 2]" 1
468 1 42 VAL QG 1 53 LYS HB3 . . 4.960 4.789 4.212 5.138 0.178 13 0 "[ . 1 . 2]" 1
469 1 42 VAL QG 1 53 LYS HD3 . . 3.930 3.886 2.642 4.927 0.997 20 3 "[ . -1 * +]" 1
470 1 42 VAL QG 1 53 LYS QE . . 3.490 2.538 1.992 3.692 0.202 1 0 "[ . 1 . 2]" 1
471 1 42 VAL QG 1 53 LYS HG2 . . 4.050 3.883 2.119 4.753 0.703 9 7 "[ ***. +1- **. 2]" 1
472 1 42 VAL QG 1 53 LYS HG3 . . 4.020 3.117 2.137 3.607 . 0 0 "[ . 1 . 2]" 1
473 1 43 TYR H 1 43 TYR HB2 . . 3.270 2.509 2.444 2.600 . 0 0 "[ . 1 . 2]" 1
474 1 43 TYR H 1 43 TYR HB3 . . 3.460 2.480 2.402 2.563 . 0 0 "[ . 1 . 2]" 1
475 1 43 TYR H 1 43 TYR QD . . 4.300 4.201 4.179 4.231 . 0 0 "[ . 1 . 2]" 1
476 1 43 TYR HA 1 43 TYR QD . . 3.090 2.526 2.208 2.769 . 0 0 "[ . 1 . 2]" 1
477 1 43 TYR HA 1 44 ASP H . . 2.790 2.153 2.094 2.205 . 0 0 "[ . 1 . 2]" 1
478 1 43 TYR HA 1 44 ASP QB . . 5.050 4.105 3.990 4.191 . 0 0 "[ . 1 . 2]" 1
479 1 43 TYR HA 1 50 TRP H . . 5.100 4.455 4.103 4.965 . 0 0 "[ . 1 . 2]" 1
480 1 43 TYR HA 1 50 TRP HB3 . . 5.200 4.050 3.803 4.158 . 0 0 "[ . 1 . 2]" 1
481 1 43 TYR HA 1 51 VAL H . . 4.280 3.667 3.492 3.960 . 0 0 "[ . 1 . 2]" 1
482 1 43 TYR HA 1 51 VAL QG . . 4.780 3.894 3.615 4.174 . 0 0 "[ . 1 . 2]" 1
483 1 43 TYR HB2 1 44 ASP H . . 4.730 4.295 4.077 4.461 . 0 0 "[ . 1 . 2]" 1
484 1 43 TYR QD 1 44 ASP H . . 4.010 3.404 2.377 3.836 . 0 0 "[ . 1 . 2]" 1
485 1 43 TYR QD 1 45 GLU H . . 4.830 4.143 3.978 4.394 . 0 0 "[ . 1 . 2]" 1
486 1 43 TYR QD 1 45 GLU HB2 . . 5.500 5.226 4.947 5.504 0.004 12 0 "[ . 1 . 2]" 1
487 1 43 TYR QD 1 45 GLU HG3 . . 3.880 2.990 2.475 3.447 . 0 0 "[ . 1 . 2]" 1
488 1 43 TYR QD 1 50 TRP HE1 . . 4.050 3.185 3.003 3.529 . 0 0 "[ . 1 . 2]" 1
489 1 43 TYR QE 1 45 GLU HA . . 3.080 2.653 2.411 3.130 0.050 12 0 "[ . 1 . 2]" 1
490 1 43 TYR QE 1 45 GLU HB2 . . 4.710 4.893 4.686 5.091 0.381 5 0 "[ . 1 . 2]" 1
491 1 43 TYR QE 1 45 GLU HG3 . . 3.950 3.542 2.331 4.174 0.224 20 0 "[ . 1 . 2]" 1
492 1 43 TYR QE 1 48 GLY H . . 5.240 4.629 3.738 4.866 . 0 0 "[ . 1 . 2]" 1
493 1 43 TYR QE 1 48 GLY HA2 . . 4.460 3.132 2.291 3.553 . 0 0 "[ . 1 . 2]" 1
494 1 43 TYR QE 1 48 GLY HA3 . . 4.860 4.145 3.795 4.581 . 0 0 "[ . 1 . 2]" 1
495 1 43 TYR QE 1 49 GLU H . . 5.500 3.883 3.204 4.265 . 0 0 "[ . 1 . 2]" 1
496 1 43 TYR QE 1 50 TRP HE1 . . 5.280 4.048 3.695 4.410 . 0 0 "[ . 1 . 2]" 1
497 1 44 ASP H 1 44 ASP QB . . 3.270 2.337 2.245 2.573 . 0 0 "[ . 1 . 2]" 1
498 1 44 ASP H 1 49 GLU H . . 4.750 3.292 3.116 3.462 . 0 0 "[ . 1 . 2]" 1
499 1 44 ASP H 1 51 VAL H . . 4.720 4.047 3.706 4.518 . 0 0 "[ . 1 . 2]" 1
500 1 44 ASP H 1 51 VAL QG . . 4.540 3.203 2.668 3.866 . 0 0 "[ . 1 . 2]" 1
501 1 44 ASP HA 1 45 GLU H . . 2.710 2.169 2.120 2.210 . 0 0 "[ . 1 . 2]" 1
502 1 44 ASP HA 1 45 GLU HG3 . . 4.230 4.018 3.663 4.330 0.100 10 0 "[ . 1 . 2]" 1
503 1 44 ASP HA 1 51 VAL QG . . 5.100 3.774 3.298 4.102 . 0 0 "[ . 1 . 2]" 1
504 1 44 ASP QB 1 45 GLU H . . 4.810 3.911 3.685 4.017 . 0 0 "[ . 1 . 2]" 1
505 1 44 ASP QB 1 45 GLU HA . . 5.500 4.999 4.805 5.081 . 0 0 "[ . 1 . 2]" 1
506 1 44 ASP QB 1 47 SER H . . 4.470 3.372 2.467 3.759 . 0 0 "[ . 1 . 2]" 1
507 1 44 ASP QB 1 48 GLY H . . 4.740 3.446 3.379 3.519 . 0 0 "[ . 1 . 2]" 1
508 1 44 ASP QB 1 49 GLU H . . 4.260 2.769 2.220 3.480 . 0 0 "[ . 1 . 2]" 1
509 1 44 ASP QB 1 51 VAL H . . 4.610 4.287 3.968 4.431 . 0 0 "[ . 1 . 2]" 1
510 1 44 ASP QB 1 51 VAL QG . . 3.250 2.213 2.008 2.499 . 0 0 "[ . 1 . 2]" 1
511 1 45 GLU H 1 45 GLU HB2 . . 3.010 2.491 2.340 2.710 . 0 0 "[ . 1 . 2]" 1
512 1 45 GLU H 1 45 GLU HG3 . . 3.540 2.337 2.093 2.830 . 0 0 "[ . 1 . 2]" 1
513 1 45 GLU H 1 46 GLU H . . 3.370 2.749 2.610 2.889 . 0 0 "[ . 1 . 2]" 1
514 1 45 GLU HA 1 45 GLU HG3 . . 3.400 2.991 2.509 3.219 . 0 0 "[ . 1 . 2]" 1
515 1 45 GLU HG3 1 46 GLU H . . 4.600 4.643 4.507 4.836 0.236 10 0 "[ . 1 . 2]" 1
516 1 46 GLU H 1 46 GLU HB3 . . 2.730 2.891 2.447 3.665 0.935 20 7 "[ . * 1 ** .*- *+]" 1
517 1 46 GLU H 1 46 GLU HG3 . . 4.490 4.155 2.370 4.623 0.133 15 0 "[ . 1 . 2]" 1
518 1 46 GLU H 1 47 SER H . . 3.240 2.605 2.309 2.785 . 0 0 "[ . 1 . 2]" 1
519 1 46 GLU HA 1 46 GLU HG3 . . 3.670 3.171 2.429 3.845 0.175 16 0 "[ . 1 . 2]" 1
520 1 46 GLU HB3 1 47 SER H . . 3.190 2.877 2.399 3.760 0.570 20 2 "[ . 1 - . +]" 1
521 1 46 GLU HB3 1 48 GLY H . . 5.500 5.018 4.652 5.643 0.143 13 0 "[ . 1 . 2]" 1
522 1 46 GLU HG3 1 47 SER H . . 4.730 4.302 3.502 5.056 0.326 19 0 "[ . 1 . 2]" 1
523 1 47 SER H 1 47 SER HB2 . . 3.890 2.720 2.416 3.702 . 0 0 "[ . 1 . 2]" 1
524 1 47 SER H 1 47 SER HB3 . . 3.660 3.065 2.446 3.794 0.134 2 0 "[ . 1 . 2]" 1
525 1 47 SER H 1 48 GLY H . . 2.930 2.470 2.075 2.547 . 0 0 "[ . 1 . 2]" 1
526 1 47 SER H 1 48 GLY HA2 . . 4.800 4.745 4.345 4.819 0.019 15 0 "[ . 1 . 2]" 1
527 1 47 SER H 1 48 GLY HA3 . . 5.210 5.175 4.840 5.232 0.022 15 0 "[ . 1 . 2]" 1
528 1 47 SER H 1 49 GLU H . . 4.370 4.092 3.733 4.338 . 0 0 "[ . 1 . 2]" 1
529 1 47 SER HA 1 47 SER HB2 . . 2.780 2.729 2.410 3.053 0.273 14 0 "[ . 1 . 2]" 1
530 1 48 GLY H 1 49 GLU H . . 3.050 2.373 2.250 2.478 . 0 0 "[ . 1 . 2]" 1
531 1 49 GLU H 1 49 GLU HB2 . . 3.290 2.777 2.593 2.867 . 0 0 "[ . 1 . 2]" 1
532 1 49 GLU H 1 49 GLU HG2 . . 4.060 3.534 2.936 4.251 0.191 15 0 "[ . 1 . 2]" 1
533 1 49 GLU H 1 50 TRP H . . 4.700 4.425 4.340 4.480 . 0 0 "[ . 1 . 2]" 1
534 1 49 GLU H 1 51 VAL QG . . 5.170 4.417 3.987 4.972 . 0 0 "[ . 1 . 2]" 1
535 1 49 GLU HA 1 49 GLU HG2 . . 3.750 2.984 2.416 3.263 . 0 0 "[ . 1 . 2]" 1
536 1 49 GLU HA 1 50 TRP H . . 2.890 2.409 2.251 2.833 . 0 0 "[ . 1 . 2]" 1
537 1 49 GLU HB2 1 50 TRP H . . 3.920 3.687 2.976 3.931 0.011 5 0 "[ . 1 . 2]" 1
538 1 49 GLU HB2 1 51 VAL QG . . 4.420 3.588 2.955 4.105 . 0 0 "[ . 1 . 2]" 1
539 1 49 GLU HB3 1 50 TRP H . . 3.430 2.518 2.025 2.821 . 0 0 "[ . 1 . 2]" 1
540 1 49 GLU HB3 1 51 VAL QG . . 5.100 3.956 3.219 4.533 . 0 0 "[ . 1 . 2]" 1
541 1 49 GLU HG2 1 50 TRP H . . 4.480 4.711 3.914 5.050 0.570 12 7 "[ . * *1*+* . - *]" 1
542 1 50 TRP H 1 50 TRP HB2 . . 3.270 2.458 2.377 2.624 . 0 0 "[ . 1 . 2]" 1
543 1 50 TRP H 1 50 TRP HB3 . . 3.720 3.644 3.573 3.757 0.037 18 0 "[ . 1 . 2]" 1
544 1 50 TRP H 1 50 TRP HD1 . . 4.600 2.547 2.301 3.013 . 0 0 "[ . 1 . 2]" 1
545 1 50 TRP H 1 50 TRP HE1 . . 5.500 4.911 4.631 5.367 . 0 0 "[ . 1 . 2]" 1
546 1 50 TRP H 1 51 VAL H . . 4.720 4.572 4.434 4.638 . 0 0 "[ . 1 . 2]" 1
547 1 50 TRP H 1 51 VAL QG . . 4.770 4.217 3.814 4.425 . 0 0 "[ . 1 . 2]" 1
548 1 50 TRP HB2 1 51 VAL H . . 4.660 4.075 3.904 4.207 . 0 0 "[ . 1 . 2]" 1
549 1 50 TRP HB3 1 51 VAL H . . 4.080 2.992 2.715 3.226 . 0 0 "[ . 1 . 2]" 1
550 1 50 TRP HB3 1 51 VAL HA . . 4.800 4.637 4.547 4.731 . 0 0 "[ . 1 . 2]" 1
551 1 51 VAL H 1 51 VAL QG . . 3.110 2.274 2.199 2.344 . 0 0 "[ . 1 . 2]" 1
552 1 51 VAL HA 1 51 VAL QG . . 3.060 2.282 2.232 2.338 . 0 0 "[ . 1 . 2]" 1
553 1 51 VAL HA 1 52 TRP H . . 2.880 2.158 2.072 2.230 . 0 0 "[ . 1 . 2]" 1
554 1 51 VAL HB 1 52 TRP H . . 3.370 2.765 2.582 3.013 . 0 0 "[ . 1 . 2]" 1
555 1 51 VAL QG 1 52 TRP H . . 3.950 3.334 3.253 3.411 . 0 0 "[ . 1 . 2]" 1
556 1 51 VAL QG 1 53 LYS H . . 4.560 3.876 3.655 4.090 . 0 0 "[ . 1 . 2]" 1
557 1 51 VAL QG 1 53 LYS HD3 . . 4.810 3.507 2.375 4.772 . 0 0 "[ . 1 . 2]" 1
558 1 51 VAL QG 1 53 LYS HG2 . . 3.610 2.902 2.400 3.139 . 0 0 "[ . 1 . 2]" 1
559 1 51 VAL QG 1 53 LYS HG3 . . 4.130 2.961 2.194 4.095 . 0 0 "[ . 1 . 2]" 1
560 1 52 TRP H 1 52 TRP QB . . 3.480 2.195 2.148 2.251 . 0 0 "[ . 1 . 2]" 1
561 1 52 TRP H 1 53 LYS H . . 4.730 4.163 4.064 4.242 . 0 0 "[ . 1 . 2]" 1
562 1 52 TRP HA 1 52 TRP HD1 . . 3.070 2.353 2.103 2.454 . 0 0 "[ . 1 . 2]" 1
563 1 52 TRP HA 1 53 LYS H . . 2.770 2.172 2.113 2.210 . 0 0 "[ . 1 . 2]" 1
564 1 52 TRP HA 1 53 LYS HB2 . . 4.630 4.579 4.472 4.630 0.000 19 0 "[ . 1 . 2]" 1
565 1 52 TRP HA 1 53 LYS HG3 . . 4.980 4.609 4.011 5.765 0.785 7 5 "[ . + 1 * - * *]" 1
566 1 52 TRP QB 1 53 LYS H . . 4.770 3.714 3.620 3.801 . 0 0 "[ . 1 . 2]" 1
567 1 52 TRP QB 1 55 THR HB . . 3.980 2.444 2.154 2.686 . 0 0 "[ . 1 . 2]" 1
568 1 52 TRP QB 1 55 THR MG . . 3.900 2.416 2.257 2.596 . 0 0 "[ . 1 . 2]" 1
569 1 52 TRP QB 1 62 TYR QE . . 4.050 4.896 3.428 5.537 1.487 15 16 "[ **** * -*** *+*****]" 1
570 1 52 TRP HD1 1 53 LYS H . . 4.090 4.053 3.853 4.126 0.036 20 0 "[ . 1 . 2]" 1
571 1 53 LYS H 1 53 LYS HB2 . . 3.270 2.447 2.339 2.491 . 0 0 "[ . 1 . 2]" 1
572 1 53 LYS H 1 53 LYS HB3 . . 3.650 3.624 3.590 3.660 0.010 10 0 "[ . 1 . 2]" 1
573 1 53 LYS H 1 53 LYS HD2 . . 5.440 4.545 3.744 5.158 . 0 0 "[ . 1 . 2]" 1
574 1 53 LYS H 1 53 LYS HD3 . . 5.500 4.615 3.760 5.018 . 0 0 "[ . 1 . 2]" 1
575 1 53 LYS H 1 53 LYS HG2 . . 3.840 3.181 2.146 3.728 . 0 0 "[ . 1 . 2]" 1
576 1 53 LYS H 1 53 LYS HG3 . . 3.550 2.840 2.348 3.836 0.286 20 0 "[ . 1 . 2]" 1
577 1 53 LYS HA 1 53 LYS HD2 . . 3.940 3.954 2.315 4.666 0.726 13 8 "[ * -* **1* +*. 2]" 1
578 1 53 LYS HA 1 53 LYS HD3 . . 4.420 3.882 2.297 4.703 0.283 3 0 "[ . 1 . 2]" 1
579 1 53 LYS HA 1 53 LYS HG2 . . 3.420 2.621 2.313 3.179 . 0 0 "[ . 1 . 2]" 1
580 1 53 LYS HA 1 54 ASN H . . 3.140 2.257 2.183 2.363 . 0 0 "[ . 1 . 2]" 1
581 1 53 LYS HA 1 55 THR H . . 4.920 3.567 3.218 3.933 . 0 0 "[ . 1 . 2]" 1
582 1 53 LYS HB2 1 54 ASN H . . 4.320 3.936 3.784 4.109 . 0 0 "[ . 1 . 2]" 1
583 1 53 LYS HB3 1 53 LYS QE . . 4.920 3.545 2.177 4.229 . 0 0 "[ . 1 . 2]" 1
584 1 53 LYS HB3 1 54 ASN H . . 3.830 2.784 2.563 3.065 . 0 0 "[ . 1 . 2]" 1
585 1 53 LYS HB3 1 54 ASN HB2 . . 5.350 3.840 3.530 4.119 . 0 0 "[ . 1 . 2]" 1
586 1 53 LYS HD2 1 54 ASN H . . 4.850 4.903 3.739 5.802 0.952 13 8 "[ * ** -*1* +*. 2]" 1
587 1 53 LYS QE 1 53 LYS HG2 . . 3.740 2.850 2.355 3.362 . 0 0 "[ . 1 . 2]" 1
588 1 53 LYS HG2 1 54 ASN H . . 4.920 4.340 3.769 5.165 0.245 1 0 "[ . 1 . 2]" 1
589 1 54 ASN H 1 55 THR H . . 3.720 2.853 2.647 2.995 . 0 0 "[ . 1 . 2]" 1
590 1 54 ASN HA 1 55 THR H . . 3.290 2.831 2.693 3.292 0.002 2 0 "[ . 1 . 2]" 1
591 1 54 ASN HB2 1 55 THR H . . 4.950 4.674 4.397 4.746 . 0 0 "[ . 1 . 2]" 1
592 1 54 ASN HB3 1 55 THR H . . 5.030 4.348 3.859 4.476 . 0 0 "[ . 1 . 2]" 1
593 1 54 ASN HD21 1 66 THR H . . 5.260 3.604 2.400 4.321 . 0 0 "[ . 1 . 2]" 1
594 1 54 ASN HD21 1 66 THR MG . . 4.040 3.481 2.827 3.996 . 0 0 "[ . 1 . 2]" 1
595 1 54 ASN HD22 1 64 HIS HB2 . . 5.500 4.806 4.443 5.115 . 0 0 "[ . 1 . 2]" 1
596 1 54 ASN HD22 1 64 HIS HB3 . . 4.590 3.150 2.787 3.444 . 0 0 "[ . 1 . 2]" 1
597 1 54 ASN HD22 1 66 THR H . . 4.540 2.548 2.092 2.824 . 0 0 "[ . 1 . 2]" 1
598 1 54 ASN HD22 1 66 THR MG . . 3.580 2.384 2.099 2.561 . 0 0 "[ . 1 . 2]" 1
599 1 54 ASN HD22 1 67 CYS H . . 4.490 4.018 3.790 4.231 . 0 0 "[ . 1 . 2]" 1
600 1 55 THR H 1 55 THR HB . . 3.410 2.697 2.507 2.792 . 0 0 "[ . 1 . 2]" 1
601 1 55 THR H 1 55 THR MG . . 4.150 3.946 3.837 3.991 . 0 0 "[ . 1 . 2]" 1
602 1 55 THR H 1 56 ILE H . . 4.680 4.493 4.395 4.593 . 0 0 "[ . 1 . 2]" 1
603 1 55 THR H 1 56 ILE MG . . 5.500 5.201 4.876 5.525 0.025 2 0 "[ . 1 . 2]" 1
604 1 55 THR HA 1 55 THR MG . . 3.210 2.423 2.364 2.461 . 0 0 "[ . 1 . 2]" 1
605 1 55 THR HA 1 56 ILE H . . 2.870 2.169 2.111 2.209 . 0 0 "[ . 1 . 2]" 1
606 1 55 THR HA 1 56 ILE HB . . 4.930 4.495 4.268 4.627 . 0 0 "[ . 1 . 2]" 1
607 1 55 THR HA 1 56 ILE MG . . 4.070 3.333 3.138 3.482 . 0 0 "[ . 1 . 2]" 1
608 1 55 THR HA 1 63 PHE H . . 5.180 4.576 4.427 4.722 . 0 0 "[ . 1 . 2]" 1
609 1 55 THR HA 1 64 HIS HA . . 3.190 2.420 2.215 2.641 . 0 0 "[ . 1 . 2]" 1
610 1 55 THR HA 1 65 SER H . . 3.510 2.844 2.528 3.257 . 0 0 "[ . 1 . 2]" 1
611 1 55 THR HB 1 56 ILE H . . 4.650 3.905 3.808 4.056 . 0 0 "[ . 1 . 2]" 1
612 1 55 THR HB 1 62 TYR QE . . 4.390 5.605 4.680 6.164 1.774 15 18 "[*****-* **** *+*****]" 1
613 1 55 THR MG 1 56 ILE H . . 3.180 2.283 2.224 2.407 . 0 0 "[ . 1 . 2]" 1
614 1 55 THR MG 1 56 ILE HB . . 5.080 4.816 4.794 4.853 . 0 0 "[ . 1 . 2]" 1
615 1 55 THR MG 1 62 TYR QD . . 3.760 2.443 2.200 2.684 . 0 0 "[ . 1 . 2]" 1
616 1 55 THR MG 1 62 TYR QE . . 3.170 3.522 2.701 3.894 0.724 4 8 "[ *+- * * ** *]" 1
617 1 55 THR MG 1 63 PHE H . . 3.790 3.148 2.930 3.481 . 0 0 "[ . 1 . 2]" 1
618 1 55 THR MG 1 63 PHE HA . . 4.510 4.672 4.468 4.802 0.292 6 0 "[ . 1 . 2]" 1
619 1 55 THR MG 1 64 HIS HA . . 4.290 3.766 3.504 4.082 . 0 0 "[ . 1 . 2]" 1
620 1 56 ILE H 1 56 ILE HB . . 4.090 3.332 3.191 3.414 . 0 0 "[ . 1 . 2]" 1
621 1 56 ILE H 1 56 ILE MD . . 4.960 4.819 4.719 4.882 . 0 0 "[ . 1 . 2]" 1
622 1 56 ILE H 1 56 ILE HG12 . . 4.580 4.417 4.279 4.503 . 0 0 "[ . 1 . 2]" 1
623 1 56 ILE H 1 56 ILE HG13 . . 4.830 4.699 4.629 4.756 . 0 0 "[ . 1 . 2]" 1
624 1 56 ILE H 1 56 ILE MG . . 3.270 2.234 2.078 2.316 . 0 0 "[ . 1 . 2]" 1
625 1 56 ILE H 1 57 GLU H . . 4.760 4.382 4.305 4.426 . 0 0 "[ . 1 . 2]" 1
626 1 56 ILE H 1 63 PHE H . . 3.620 3.015 2.929 3.096 . 0 0 "[ . 1 . 2]" 1
627 1 56 ILE H 1 63 PHE HB2 . . 4.960 3.998 3.692 4.118 . 0 0 "[ . 1 . 2]" 1
628 1 56 ILE H 1 64 HIS HA . . 4.040 3.583 3.417 3.803 . 0 0 "[ . 1 . 2]" 1
629 1 56 ILE H 1 65 SER H . . 4.680 3.962 3.767 4.197 . 0 0 "[ . 1 . 2]" 1
630 1 56 ILE HA 1 56 ILE HB . . 2.970 2.389 2.336 2.445 . 0 0 "[ . 1 . 2]" 1
631 1 56 ILE HA 1 56 ILE MD . . 4.020 3.783 3.717 3.853 . 0 0 "[ . 1 . 2]" 1
632 1 56 ILE HA 1 56 ILE HG12 . . 3.550 3.313 3.132 3.367 . 0 0 "[ . 1 . 2]" 1
633 1 56 ILE HA 1 56 ILE HG13 . . 3.160 2.509 2.442 2.582 . 0 0 "[ . 1 . 2]" 1
634 1 56 ILE HA 1 56 ILE MG . . 3.340 3.260 3.233 3.288 . 0 0 "[ . 1 . 2]" 1
635 1 56 ILE HA 1 57 GLU H . . 2.750 2.238 2.141 2.362 . 0 0 "[ . 1 . 2]" 1
636 1 56 ILE HB 1 56 ILE MD . . 3.240 2.390 2.370 2.452 . 0 0 "[ . 1 . 2]" 1
637 1 56 ILE HB 1 57 GLU H . . 4.200 3.993 3.880 4.066 . 0 0 "[ . 1 . 2]" 1
638 1 56 ILE HB 1 58 VAL QG . . 5.350 5.100 4.610 5.785 0.435 7 0 "[ . 1 . 2]" 1
639 1 56 ILE HB 1 65 SER HB3 . . 4.410 3.842 2.684 4.958 0.548 19 3 "[* . 1 . - +2]" 1
640 1 56 ILE MD 1 56 ILE MG . . 2.650 2.090 2.068 2.118 . 0 0 "[ . 1 . 2]" 1
641 1 56 ILE MD 1 57 GLU H . . 4.650 4.015 3.888 4.173 . 0 0 "[ . 1 . 2]" 1
642 1 56 ILE MD 1 58 VAL HB . . 4.710 3.486 2.911 3.787 . 0 0 "[ . 1 . 2]" 1
643 1 56 ILE MD 1 58 VAL QG . . 3.360 2.994 2.162 3.697 0.337 14 0 "[ . 1 . 2]" 1
644 1 56 ILE MD 1 63 PHE HB2 . . 4.950 4.418 4.181 4.560 . 0 0 "[ . 1 . 2]" 1
645 1 56 ILE MD 1 63 PHE HB3 . . 5.500 5.255 4.959 5.314 . 0 0 "[ . 1 . 2]" 1
646 1 56 ILE MD 1 65 SER HB3 . . 5.500 4.619 3.691 5.615 0.115 1 0 "[ . 1 . 2]" 1
647 1 56 ILE MD 1 68 TYR HA . . 5.500 5.523 5.492 5.574 0.074 14 0 "[ . 1 . 2]" 1
648 1 56 ILE MD 1 68 TYR QB . . 4.250 3.171 3.027 3.373 . 0 0 "[ . 1 . 2]" 1
649 1 56 ILE MD 1 68 TYR QD . . 3.670 2.583 2.123 2.876 . 0 0 "[ . 1 . 2]" 1
650 1 56 ILE MD 1 68 TYR QE . . 4.150 3.062 2.583 3.393 . 0 0 "[ . 1 . 2]" 1
651 1 56 ILE MD 1 69 HIS H . . 5.500 5.041 4.720 5.506 0.006 16 0 "[ . 1 . 2]" 1
652 1 56 ILE HG12 1 57 GLU H . . 3.720 2.885 2.429 3.167 . 0 0 "[ . 1 . 2]" 1
653 1 56 ILE HG12 1 58 VAL H . . 5.090 4.256 4.025 4.461 . 0 0 "[ . 1 . 2]" 1
654 1 56 ILE HG12 1 58 VAL QG . . 3.770 2.862 2.192 3.527 . 0 0 "[ . 1 . 2]" 1
655 1 56 ILE HG12 1 63 PHE HB2 . . 4.900 4.065 3.885 4.184 . 0 0 "[ . 1 . 2]" 1
656 1 56 ILE HG12 1 63 PHE HB3 . . 5.500 5.557 5.535 5.580 0.080 4 0 "[ . 1 . 2]" 1
657 1 56 ILE HG13 1 57 GLU H . . 3.560 2.411 2.241 2.556 . 0 0 "[ . 1 . 2]" 1
658 1 56 ILE HG13 1 58 VAL QG . . 4.430 4.006 2.767 4.669 0.239 7 0 "[ . 1 . 2]" 1
659 1 56 ILE MG 1 57 GLU H . . 4.240 3.955 3.813 4.092 . 0 0 "[ . 1 . 2]" 1
660 1 56 ILE MG 1 58 VAL QG . . 3.620 3.279 2.634 4.195 0.575 11 1 "[ . 1+ . 2]" 1
661 1 56 ILE MG 1 63 PHE H . . 4.190 3.154 2.831 3.313 . 0 0 "[ . 1 . 2]" 1
662 1 56 ILE MG 1 63 PHE HA . . 4.470 4.197 4.094 4.230 . 0 0 "[ . 1 . 2]" 1
663 1 56 ILE MG 1 63 PHE HB2 . . 3.720 2.043 1.987 2.096 . 0 0 "[ . 1 . 2]" 1
664 1 56 ILE MG 1 63 PHE HB3 . . 4.330 3.028 2.763 3.295 . 0 0 "[ . 1 . 2]" 1
665 1 56 ILE MG 1 64 HIS HA . . 4.540 3.475 3.190 3.747 . 0 0 "[ . 1 . 2]" 1
666 1 56 ILE MG 1 65 SER H . . 4.300 3.191 2.947 3.469 . 0 0 "[ . 1 . 2]" 1
667 1 56 ILE MG 1 68 TYR H . . 4.920 3.774 3.673 3.891 . 0 0 "[ . 1 . 2]" 1
668 1 56 ILE MG 1 68 TYR QB . . 3.670 2.310 2.157 2.441 . 0 0 "[ . 1 . 2]" 1
669 1 56 ILE MG 1 68 TYR QD . . 4.100 3.151 2.265 3.411 . 0 0 "[ . 1 . 2]" 1
670 1 56 ILE MG 1 68 TYR QE . . 4.910 4.510 4.042 4.813 . 0 0 "[ . 1 . 2]" 1
671 1 57 GLU H 1 57 GLU HB2 . . 3.410 2.973 2.806 3.204 . 0 0 "[ . 1 . 2]" 1
672 1 57 GLU H 1 57 GLU HB3 . . 3.310 2.618 2.475 2.688 . 0 0 "[ . 1 . 2]" 1
673 1 57 GLU H 1 57 GLU QG . . 4.390 4.069 4.026 4.147 . 0 0 "[ . 1 . 2]" 1
674 1 57 GLU H 1 58 VAL H . . 5.180 4.394 4.271 4.478 . 0 0 "[ . 1 . 2]" 1
675 1 57 GLU H 1 58 VAL QG . . 5.010 4.398 3.623 4.885 . 0 0 "[ . 1 . 2]" 1
676 1 57 GLU HB2 1 62 TYR QD . . 4.520 3.275 2.886 3.766 . 0 0 "[ . 1 . 2]" 1
677 1 57 GLU HB2 1 62 TYR QE . . 3.490 2.575 2.220 3.391 . 0 0 "[ . 1 . 2]" 1
678 1 57 GLU HB3 1 58 VAL H . . 4.570 4.186 3.944 4.291 . 0 0 "[ . 1 . 2]" 1
679 1 57 GLU HB3 1 62 TYR QD . . 5.240 4.838 4.525 5.213 . 0 0 "[ . 1 . 2]" 1
680 1 57 GLU HB3 1 62 TYR QE . . 4.460 4.115 3.876 4.555 0.095 6 0 "[ . 1 . 2]" 1
681 1 57 GLU QG 1 58 VAL H . . 3.610 2.709 2.102 2.920 . 0 0 "[ . 1 . 2]" 1
682 1 57 GLU QG 1 58 VAL HA . . 4.600 3.671 3.471 3.900 . 0 0 "[ . 1 . 2]" 1
683 1 57 GLU QG 1 60 GLY H . . 4.230 3.484 3.022 3.931 . 0 0 "[ . 1 . 2]" 1
684 1 57 GLU QG 1 60 GLY HA2 . . 4.500 3.706 3.481 3.931 . 0 0 "[ . 1 . 2]" 1
685 1 57 GLU QG 1 61 LYS H . . 4.250 3.500 2.941 3.837 . 0 0 "[ . 1 . 2]" 1
686 1 57 GLU QG 1 62 TYR QD . . 4.740 3.633 2.861 4.054 . 0 0 "[ . 1 . 2]" 1
687 1 57 GLU QG 1 62 TYR QE . . 4.130 3.443 3.164 3.545 . 0 0 "[ . 1 . 2]" 1
688 1 58 VAL H 1 58 VAL HB . . 3.590 3.278 2.724 3.510 . 0 0 "[ . 1 . 2]" 1
689 1 58 VAL H 1 58 VAL QG . . 3.610 2.750 2.478 3.342 . 0 0 "[ . 1 . 2]" 1
690 1 58 VAL H 1 61 LYS H . . 3.990 3.077 2.880 3.258 . 0 0 "[ . 1 . 2]" 1
691 1 58 VAL H 1 61 LYS HA . . 5.210 4.870 4.818 4.965 . 0 0 "[ . 1 . 2]" 1
692 1 58 VAL H 1 62 TYR H . . 5.340 5.041 4.908 5.133 . 0 0 "[ . 1 . 2]" 1
693 1 58 VAL H 1 62 TYR QD . . 5.290 5.109 4.831 5.302 0.012 6 0 "[ . 1 . 2]" 1
694 1 58 VAL H 1 63 PHE QD . . 4.330 3.544 2.641 5.184 0.854 14 1 "[ . 1 +. 2]" 1
695 1 58 VAL HA 1 58 VAL QG . . 3.040 2.272 2.125 2.360 . 0 0 "[ . 1 . 2]" 1
696 1 58 VAL HA 1 59 ASN HA . . 4.970 4.282 4.182 4.429 . 0 0 "[ . 1 . 2]" 1
697 1 58 VAL HA 1 59 ASN HB2 . . 4.830 4.670 4.534 4.798 . 0 0 "[ . 1 . 2]" 1
698 1 58 VAL HA 1 59 ASN HB3 . . 5.500 5.379 4.888 5.677 0.177 13 0 "[ . 1 . 2]" 1
699 1 58 VAL HA 1 60 GLY H . . 3.750 3.736 3.493 4.060 0.310 1 0 "[ . 1 . 2]" 1
700 1 58 VAL HB 1 63 PHE QD . . 5.340 4.004 2.389 4.707 . 0 0 "[ . 1 . 2]" 1
701 1 58 VAL HB 1 68 TYR QE . . 5.000 4.236 2.282 4.606 . 0 0 "[ . 1 . 2]" 1
702 1 58 VAL QG 1 59 ASN HB2 . . 3.690 2.736 2.382 3.102 . 0 0 "[ . 1 . 2]" 1
703 1 58 VAL QG 1 59 ASN HB3 . . 4.120 3.623 2.757 4.124 0.004 13 0 "[ . 1 . 2]" 1
704 1 58 VAL QG 1 59 ASN HD21 . . 4.490 3.659 2.881 4.517 0.027 1 0 "[ . 1 . 2]" 1
705 1 58 VAL QG 1 61 LYS H . . 5.500 4.068 3.707 4.492 . 0 0 "[ . 1 . 2]" 1
706 1 58 VAL QG 1 63 PHE HB2 . . 4.820 3.604 2.805 5.013 0.193 11 0 "[ . 1 . 2]" 1
707 1 58 VAL QG 1 63 PHE QD . . 4.230 2.525 2.068 3.588 . 0 0 "[ . 1 . 2]" 1
708 1 58 VAL QG 1 68 TYR QB . . 4.970 3.889 3.317 4.660 . 0 0 "[ . 1 . 2]" 1
709 1 58 VAL QG 1 68 TYR QD . . 4.360 3.070 2.643 3.716 . 0 0 "[ . 1 . 2]" 1
710 1 58 VAL QG 1 68 TYR QE . . 3.880 2.484 2.268 2.828 . 0 0 "[ . 1 . 2]" 1
711 1 59 ASN HA 1 59 ASN HB3 . . 3.020 2.679 2.401 3.041 0.021 12 0 "[ . 1 . 2]" 1
712 1 59 ASN HA 1 60 GLY H . . 3.200 2.792 2.671 2.920 . 0 0 "[ . 1 . 2]" 1
713 1 59 ASN HA 1 60 GLY HA3 . . 5.320 4.406 4.360 4.490 . 0 0 "[ . 1 . 2]" 1
714 1 59 ASN HB2 1 61 LYS H . . 5.270 4.496 3.969 5.217 . 0 0 "[ . 1 . 2]" 1
715 1 59 ASN HB3 1 60 GLY H . . 4.910 4.419 4.227 4.516 . 0 0 "[ . 1 . 2]" 1
716 1 59 ASN HB3 1 60 GLY HA3 . . 5.500 5.245 5.047 5.507 0.007 5 0 "[ . 1 . 2]" 1
717 1 60 GLY H 1 61 LYS H . . 3.230 2.735 2.590 2.867 . 0 0 "[ . 1 . 2]" 1
718 1 60 GLY HA3 1 61 LYS HB2 . . 5.310 5.270 5.094 5.354 0.044 4 0 "[ . 1 . 2]" 1
719 1 61 LYS H 1 61 LYS HB2 . . 3.170 2.609 2.383 2.715 . 0 0 "[ . 1 . 2]" 1
720 1 61 LYS H 1 61 LYS HG2 . . 4.460 4.174 3.967 4.505 0.045 8 0 "[ . 1 . 2]" 1
721 1 61 LYS H 1 61 LYS HG3 . . 3.920 3.158 2.864 3.590 . 0 0 "[ . 1 . 2]" 1
722 1 61 LYS HA 1 61 LYS HG2 . . 3.420 2.574 2.428 3.440 0.020 8 0 "[ . 1 . 2]" 1
723 1 61 LYS HA 1 61 LYS HG3 . . 4.020 3.004 2.406 3.154 . 0 0 "[ . 1 . 2]" 1
724 1 61 LYS HA 1 62 TYR H . . 2.740 2.288 2.220 2.484 . 0 0 "[ . 1 . 2]" 1
725 1 61 LYS HA 1 62 TYR QD . . 4.180 3.809 3.280 4.286 0.106 18 0 "[ . 1 . 2]" 1
726 1 61 LYS HB2 1 62 TYR H . . 4.190 3.816 3.397 3.894 . 0 0 "[ . 1 . 2]" 1
727 1 61 LYS HB3 1 62 TYR H . . 3.510 2.618 2.308 2.819 . 0 0 "[ . 1 . 2]" 1
728 1 61 LYS HG2 1 62 TYR H . . 4.260 3.999 3.827 4.297 0.037 8 0 "[ . 1 . 2]" 1
729 1 62 TYR H 1 62 TYR HB3 . . 3.460 3.659 3.538 3.756 0.296 9 0 "[ . 1 . 2]" 1
730 1 62 TYR H 1 62 TYR QD . . 3.580 2.987 2.751 3.289 . 0 0 "[ . 1 . 2]" 1
731 1 62 TYR H 1 63 PHE H . . 5.090 4.524 4.444 4.600 . 0 0 "[ . 1 . 2]" 1
732 1 62 TYR HB3 1 63 PHE H . . 3.630 2.783 2.638 3.089 . 0 0 "[ . 1 . 2]" 1
733 1 62 TYR HB3 1 63 PHE HA . . 4.080 4.326 4.149 4.651 0.571 16 1 "[ . 1 .+ 2]" 1
734 1 62 TYR HB3 1 63 PHE HB2 . . 5.500 5.403 5.288 5.550 0.050 6 0 "[ . 1 . 2]" 1
735 1 62 TYR QD 1 63 PHE H . . 4.420 3.399 3.271 3.979 . 0 0 "[ . 1 . 2]" 1
736 1 62 TYR QE 1 63 PHE H . . 5.500 5.530 5.470 5.558 0.058 12 0 "[ . 1 . 2]" 1
737 1 63 PHE H 1 63 PHE HB2 . . 3.620 2.715 2.428 2.916 . 0 0 "[ . 1 . 2]" 1
738 1 63 PHE H 1 63 PHE HB3 . . 4.190 3.815 3.642 3.935 . 0 0 "[ . 1 . 2]" 1
739 1 63 PHE H 1 63 PHE QD . . 3.910 3.512 3.271 4.087 0.177 5 0 "[ . 1 . 2]" 1
740 1 63 PHE HA 1 63 PHE QD . . 3.860 2.722 2.142 2.995 . 0 0 "[ . 1 . 2]" 1
741 1 63 PHE HA 1 64 HIS H . . 3.160 2.422 2.367 2.541 . 0 0 "[ . 1 . 2]" 1
742 1 63 PHE HB2 1 64 HIS H . . 4.250 3.741 3.551 3.937 . 0 0 "[ . 1 . 2]" 1
743 1 63 PHE HB2 1 68 TYR QD . . 5.160 4.152 3.319 4.758 . 0 0 "[ . 1 . 2]" 1
744 1 63 PHE HB3 1 64 HIS H . . 3.640 2.550 2.330 2.734 . 0 0 "[ . 1 . 2]" 1
745 1 63 PHE HB3 1 68 TYR H . . 4.530 3.591 3.347 3.941 . 0 0 "[ . 1 . 2]" 1
746 1 63 PHE HB3 1 68 TYR QB . . 4.260 2.519 2.231 2.747 . 0 0 "[ . 1 . 2]" 1
747 1 63 PHE HB3 1 68 TYR QD . . 4.920 4.082 3.377 4.555 . 0 0 "[ . 1 . 2]" 1
748 1 64 HIS H 1 64 HIS HB2 . . 3.470 2.285 2.251 2.344 . 0 0 "[ . 1 . 2]" 1
749 1 64 HIS H 1 64 HIS HB3 . . 3.780 3.589 3.565 3.634 . 0 0 "[ . 1 . 2]" 1
750 1 64 HIS H 1 67 CYS H . . 5.100 4.389 4.266 4.584 . 0 0 "[ . 1 . 2]" 1
751 1 64 HIS H 1 67 CYS HB2 . . 4.150 2.777 2.600 2.876 . 0 0 "[ . 1 . 2]" 1
752 1 64 HIS H 1 67 CYS HB3 . . 4.990 4.035 3.864 4.154 . 0 0 "[ . 1 . 2]" 1
753 1 64 HIS H 1 68 TYR QB . . 5.180 4.232 3.993 4.389 . 0 0 "[ . 1 . 2]" 1
754 1 64 HIS HA 1 65 SER H . . 2.980 2.275 2.234 2.323 . 0 0 "[ . 1 . 2]" 1
755 1 64 HIS HA 1 67 CYS H . . 5.120 4.539 4.411 4.683 . 0 0 "[ . 1 . 2]" 1
756 1 64 HIS HB2 1 65 SER H . . 4.810 4.151 4.104 4.212 . 0 0 "[ . 1 . 2]" 1
757 1 64 HIS HB2 1 67 CYS H . . 3.300 2.697 2.608 2.848 . 0 0 "[ . 1 . 2]" 1
758 1 64 HIS HB2 1 67 CYS HB2 . . 4.000 2.004 1.982 2.023 . 0 0 "[ . 1 . 2]" 1
759 1 64 HIS HB2 1 67 CYS HB3 . . 3.880 3.451 3.410 3.493 . 0 0 "[ . 1 . 2]" 1
760 1 64 HIS HB2 1 68 TYR H . . 5.340 3.826 3.729 3.946 . 0 0 "[ . 1 . 2]" 1
761 1 64 HIS HB3 1 65 SER H . . 4.330 3.056 2.972 3.150 . 0 0 "[ . 1 . 2]" 1
762 1 64 HIS HB3 1 66 THR H . . 4.050 2.971 2.773 3.155 . 0 0 "[ . 1 . 2]" 1
763 1 64 HIS HB3 1 67 CYS H . . 3.310 2.462 2.325 2.615 . 0 0 "[ . 1 . 2]" 1
764 1 64 HIS HB3 1 67 CYS HB2 . . 4.050 3.260 3.230 3.287 . 0 0 "[ . 1 . 2]" 1
765 1 64 HIS HB3 1 67 CYS HB3 . . 4.700 4.787 4.771 4.807 0.107 16 0 "[ . 1 . 2]" 1
766 1 65 SER H 1 65 SER HB3 . . 3.740 2.935 2.571 3.652 . 0 0 "[ . 1 . 2]" 1
767 1 65 SER H 1 66 THR H . . 3.910 2.776 2.717 2.851 . 0 0 "[ . 1 . 2]" 1
768 1 65 SER HB3 1 66 THR H . . 4.790 3.487 2.576 4.094 . 0 0 "[ . 1 . 2]" 1
769 1 66 THR H 1 66 THR MG . . 3.540 2.457 2.366 2.648 . 0 0 "[ . 1 . 2]" 1
770 1 66 THR H 1 67 CYS H . . 3.850 2.798 2.707 2.927 . 0 0 "[ . 1 . 2]" 1
771 1 66 THR HA 1 66 THR MG . . 2.900 2.318 2.257 2.361 . 0 0 "[ . 1 . 2]" 1
772 1 66 THR HA 1 69 HIS H . . 4.210 3.664 3.439 3.966 . 0 0 "[ . 1 . 2]" 1
773 1 66 THR HA 1 69 HIS QB . . 3.760 2.645 2.245 2.956 . 0 0 "[ . 1 . 2]" 1
774 1 66 THR HB 1 67 CYS H . . 4.170 3.542 3.234 3.706 . 0 0 "[ . 1 . 2]" 1
775 1 66 THR MG 1 67 CYS H . . 4.500 4.103 4.030 4.210 . 0 0 "[ . 1 . 2]" 1
776 1 66 THR MG 1 69 HIS QB . . 4.550 4.165 3.805 4.453 . 0 0 "[ . 1 . 2]" 1
777 1 67 CYS H 1 67 CYS HB2 . . 3.470 2.395 2.339 2.469 . 0 0 "[ . 1 . 2]" 1
778 1 67 CYS H 1 67 CYS HB3 . . 3.760 3.553 3.525 3.577 . 0 0 "[ . 1 . 2]" 1
779 1 67 CYS H 1 68 TYR H . . 3.610 2.832 2.708 2.981 . 0 0 "[ . 1 . 2]" 1
780 1 67 CYS H 1 68 TYR QB . . 4.990 4.464 4.317 4.618 . 0 0 "[ . 1 . 2]" 1
781 1 67 CYS H 1 69 HIS QB . . 5.060 4.882 4.524 5.105 0.045 8 0 "[ . 1 . 2]" 1
782 1 67 CYS HB2 1 68 TYR H . . 3.770 2.418 2.336 2.611 . 0 0 "[ . 1 . 2]" 1
783 1 67 CYS HB3 1 68 TYR H . . 4.000 3.336 3.205 3.524 . 0 0 "[ . 1 . 2]" 1
784 1 67 CYS HB3 1 68 TYR HA . . 4.660 4.356 4.238 4.427 . 0 0 "[ . 1 . 2]" 1
785 1 68 TYR H 1 68 TYR QB . . 3.680 2.182 2.136 2.215 . 0 0 "[ . 1 . 2]" 1
786 1 68 TYR H 1 68 TYR QD . . 4.490 4.167 4.134 4.249 . 0 0 "[ . 1 . 2]" 1
787 1 68 TYR HA 1 68 TYR QD . . 3.330 2.765 2.516 2.923 . 0 0 "[ . 1 . 2]" 1
788 1 68 TYR HA 1 68 TYR QE . . 4.730 4.671 4.520 4.746 0.016 3 0 "[ . 1 . 2]" 1
789 1 68 TYR HA 1 71 THR H . . 4.890 3.593 3.081 4.905 0.015 3 0 "[ . 1 . 2]" 1
790 1 68 TYR HA 1 71 THR HB . . 4.720 3.205 2.241 4.777 0.057 3 0 "[ . 1 . 2]" 1
791 1 68 TYR HA 1 71 THR MG . . 4.220 4.104 3.524 4.670 0.450 3 0 "[ . 1 . 2]" 1
792 1 68 TYR HA 1 72 SER H . . 4.820 3.874 3.154 4.839 0.019 16 0 "[ . 1 . 2]" 1
793 1 68 TYR QB 1 69 HIS H . . 4.080 2.682 2.555 2.898 . 0 0 "[ . 1 . 2]" 1
794 1 68 TYR QD 1 69 HIS H . . 4.680 3.374 2.942 4.053 . 0 0 "[ . 1 . 2]" 1
795 1 68 TYR QD 1 69 HIS HA . . 4.500 3.545 3.249 4.030 . 0 0 "[ . 1 . 2]" 1
796 1 69 HIS H 1 69 HIS QB . . 3.450 2.188 2.095 2.247 . 0 0 "[ . 1 . 2]" 1
797 1 69 HIS QB 1 70 GLU H . . 4.150 2.665 2.133 3.196 . 0 0 "[ . 1 . 2]" 1
798 1 69 HIS QB 1 70 GLU HA . . 4.390 4.445 4.276 4.565 0.175 4 0 "[ . 1 . 2]" 1
799 1 70 GLU H 1 71 THR H . . 4.130 2.544 2.262 2.700 . 0 0 "[ . 1 . 2]" 1
800 1 70 GLU HB3 1 71 THR H . . 3.950 3.544 2.720 4.390 0.440 3 0 "[ . 1 . 2]" 1
801 1 71 THR H 1 71 THR HB . . 3.940 2.648 2.222 3.760 . 0 0 "[ . 1 . 2]" 1
802 1 71 THR H 1 71 THR MG . . 3.890 3.618 2.451 3.885 . 0 0 "[ . 1 . 2]" 1
803 1 71 THR HA 1 71 THR MG . . 3.230 2.455 2.361 2.717 . 0 0 "[ . 1 . 2]" 1
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