NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
549956 |
2lz0   |
18734 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2lz0
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 1628
_Distance_constraint_stats_list.Viol_count 3314
_Distance_constraint_stats_list.Viol_total 5991.089
_Distance_constraint_stats_list.Viol_max 0.959
_Distance_constraint_stats_list.Viol_rms 0.0447
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0092
_Distance_constraint_stats_list.Viol_average_violations_only 0.0904
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 3 HIS 1.754 0.128 18 0 "[ . 1 . 2]"
1 4 GLU 1.958 0.257 8 0 "[ . 1 . 2]"
1 5 GLY 0.920 0.082 3 0 "[ . 1 . 2]"
1 6 GLU 9.139 0.690 6 4 "[ .+ 1* - . *]"
1 7 PRO 7.284 0.690 6 3 "[ .+ 1- . *]"
1 8 VAL 2.120 0.078 18 0 "[ . 1 . 2]"
1 9 VAL 3.725 0.187 15 0 "[ . 1 . 2]"
1 10 GLY 12.281 0.839 10 6 "[ * ** * + . - 2]"
1 11 MET 9.150 0.839 10 5 "[ * ** + . - 2]"
1 12 ASP 0.956 0.202 10 0 "[ . 1 . 2]"
1 13 LYS 3.901 0.490 18 0 "[ . 1 . 2]"
1 14 SER 0.725 0.088 1 0 "[ . 1 . 2]"
1 15 LEU 1.096 0.125 4 0 "[ . 1 . 2]"
1 16 PHE 7.765 0.476 18 0 "[ . 1 . 2]"
1 17 ALA 3.741 0.092 18 0 "[ . 1 . 2]"
1 18 GLY 2.310 0.092 18 0 "[ . 1 . 2]"
1 19 ASN 7.011 0.118 11 0 "[ . 1 . 2]"
1 20 THR 3.041 0.115 12 0 "[ . 1 . 2]"
1 21 VAL 5.710 0.155 8 0 "[ . 1 . 2]"
1 22 ILE 10.324 0.297 1 0 "[ . 1 . 2]"
1 23 ARG 5.504 0.840 2 1 "[ + . 1 . 2]"
1 24 GLU 4.778 0.097 13 0 "[ . 1 . 2]"
1 25 ILE 7.429 0.601 15 4 "[ . 1 *-*+ 2]"
1 26 THR 10.497 0.601 15 4 "[ . 1 *-*+ 2]"
1 27 VAL 3.962 0.117 17 0 "[ . 1 . 2]"
1 28 GLN 10.058 0.434 3 0 "[ . 1 . 2]"
1 29 PRO 4.481 0.434 3 0 "[ . 1 . 2]"
1 30 ASN 2.432 0.265 7 0 "[ . 1 . 2]"
1 31 ILE 17.470 0.821 10 7 "[ ** * -* + . *2]"
1 32 GLY 5.114 0.687 3 5 "[ *+ * - 1 . *2]"
1 33 LEU 2.180 0.100 1 0 "[ . 1 . 2]"
1 34 LEU 4.697 0.315 13 0 "[ . 1 . 2]"
1 35 TYR 3.562 0.105 5 0 "[ . 1 . 2]"
1 36 ASP 1.292 0.080 13 0 "[ . 1 . 2]"
1 37 GLY 1.691 0.081 19 0 "[ . 1 . 2]"
1 38 MET 10.544 0.669 9 1 "[ . +1 . 2]"
1 39 PHE 5.960 0.669 9 1 "[ . +1 . 2]"
1 40 SER 1.665 0.083 13 0 "[ . 1 . 2]"
1 41 GLY 2.152 0.518 3 1 "[ + . 1 . 2]"
1 42 CYS 11.304 0.907 5 6 "[ - + * 1 ** * 2]"
1 43 THR 0.845 0.089 20 0 "[ . 1 . 2]"
1 44 ALA 4.163 0.251 5 0 "[ . 1 . 2]"
1 45 LEU 12.956 0.907 5 5 "[ + * 1 ** - 2]"
1 46 GLU 2.251 0.840 2 1 "[ + . 1 . 2]"
1 47 LYS 8.652 0.892 8 5 "[ . + 1 -*. **]"
1 48 LEU 4.819 0.665 3 1 "[ + . 1 . 2]"
1 49 ILE 11.184 0.864 19 4 "[ . * 1 - . +*]"
1 50 LEU 3.654 0.142 2 0 "[ . 1 . 2]"
1 51 THR 2.809 0.130 14 0 "[ . 1 . 2]"
1 52 GLY 2.866 0.242 4 0 "[ . 1 . 2]"
1 53 GLU 8.841 0.855 7 5 "[ **. + 1 * . * 2]"
1 54 ASP 6.299 0.611 18 2 "[ . 1 - . + 2]"
1 55 PRO 9.185 0.689 20 4 "[ . 1* * - +]"
1 56 SER 0.970 0.086 9 0 "[ . 1 . 2]"
1 57 ALA 2.573 0.371 19 0 "[ . 1 . 2]"
1 58 TYR 3.845 0.117 17 0 "[ . 1 . 2]"
1 59 SER 2.402 0.315 13 0 "[ . 1 . 2]"
1 60 ALA 6.350 0.114 9 0 "[ . 1 . 2]"
1 61 GLY 3.514 0.275 2 0 "[ . 1 . 2]"
1 62 ASP 4.137 0.275 2 0 "[ . 1 . 2]"
1 63 GLY 2.310 0.357 20 0 "[ . 1 . 2]"
1 64 LEU 3.928 0.103 3 0 "[ . 1 . 2]"
1 65 ARG 6.926 0.482 10 0 "[ . 1 . 2]"
1 66 ASP 2.505 0.357 20 0 "[ . 1 . 2]"
1 67 GLY 0.799 0.087 6 0 "[ . 1 . 2]"
1 68 ALA 5.116 0.373 12 0 "[ . 1 . 2]"
1 69 ASP 2.912 0.373 12 0 "[ . 1 . 2]"
1 70 PHE 13.098 0.665 3 1 "[ + . 1 . 2]"
1 71 LEU 5.771 0.892 8 2 "[ . + 1 -. 2]"
1 72 ILE 13.169 0.142 2 0 "[ . 1 . 2]"
1 73 CYS 5.159 0.099 2 0 "[ . 1 . 2]"
1 74 VAL 6.305 0.289 16 0 "[ . 1 . 2]"
1 75 PRO 8.753 0.397 9 0 "[ . 1 . 2]"
1 76 GLU 6.406 0.464 19 0 "[ . 1 . 2]"
1 77 GLU 5.122 0.464 19 0 "[ . 1 . 2]"
1 78 ALA 10.975 0.855 7 2 "[ * . + 1 . 2]"
1 79 LEU 5.315 0.113 2 0 "[ . 1 . 2]"
1 80 ASP 2.382 0.095 18 0 "[ . 1 . 2]"
1 81 ARG 10.261 0.693 9 8 "[ .* +* **. *- *]"
1 82 TYR 1.850 0.092 1 0 "[ . 1 . 2]"
1 83 ARG 11.644 0.959 17 6 "[ **. 1- *.*+ 2]"
1 84 ARG 19.793 0.959 17 13 "[ ***.* *-* ****+ *]"
1 85 ASP 3.658 0.090 5 0 "[ . 1 . 2]"
1 86 TYR 2.182 0.113 2 0 "[ . 1 . 2]"
1 87 PHE 3.552 0.113 2 0 "[ . 1 . 2]"
1 88 TRP 8.545 0.689 20 3 "[ . 1- * +]"
1 89 GLN 7.274 0.357 4 0 "[ . 1 . 2]"
1 90 THR 4.400 0.357 4 0 "[ . 1 . 2]"
1 91 TYR 8.003 0.482 10 0 "[ . 1 . 2]"
1 92 ALA 3.311 0.106 15 0 "[ . 1 . 2]"
1 93 ALA 2.211 0.091 2 0 "[ . 1 . 2]"
1 94 TRP 3.987 0.109 14 0 "[ . 1 . 2]"
1 95 ILE 4.617 0.118 19 0 "[ . 1 . 2]"
1 96 GLN 3.822 0.097 7 0 "[ . 1 . 2]"
1 97 PRO 2.928 0.084 8 0 "[ . 1 . 2]"
1 98 MET 9.969 0.937 12 7 "[ . * *1*+ ** - 2]"
1 99 GLU 13.279 0.937 12 7 "[ . * *1*+ ** - 2]"
1 100 GLN 1.675 0.084 13 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 3 HIS HA 1 4 GLU HA . . 4.280 4.322 4.247 4.364 0.084 1 0 "[ . 1 . 2]" 1
2 1 3 HIS HA 1 4 GLU QG . . 5.470 4.904 3.394 5.573 0.103 20 0 "[ . 1 . 2]" 1
3 1 3 HIS HB2 1 4 GLU H . . 5.040 4.016 2.284 4.683 . 0 0 "[ . 1 . 2]" 1
4 1 3 HIS HB3 1 3 HIS HD2 . . 3.800 3.313 2.582 3.928 0.128 18 0 "[ . 1 . 2]" 1
5 1 3 HIS HB3 1 4 GLU H . . 5.120 4.134 2.338 4.745 . 0 0 "[ . 1 . 2]" 1
6 1 4 GLU H 1 4 GLU HB2 . . 3.720 2.943 2.199 3.977 0.257 8 0 "[ . 1 . 2]" 1
7 1 4 GLU H 1 4 GLU QG . . 4.420 3.513 2.162 4.280 . 0 0 "[ . 1 . 2]" 1
8 1 4 GLU HA 1 4 GLU QG . . 3.620 2.427 2.099 3.479 . 0 0 "[ . 1 . 2]" 1
9 1 4 GLU HA 1 5 GLY H . . 3.120 2.440 2.185 2.895 . 0 0 "[ . 1 . 2]" 1
10 1 4 GLU HA 1 6 GLU H . . 5.210 4.648 3.588 5.273 0.063 9 0 "[ . 1 . 2]" 1
11 1 4 GLU HB2 1 4 GLU QG . . 2.770 2.326 2.091 2.589 . 0 0 "[ . 1 . 2]" 1
12 1 4 GLU HB2 1 5 GLY H . . 4.870 3.970 2.145 4.793 . 0 0 "[ . 1 . 2]" 1
13 1 4 GLU HB3 1 4 GLU QG . . 2.580 2.386 2.139 2.563 . 0 0 "[ . 1 . 2]" 1
14 1 4 GLU HB3 1 5 GLY H . . 4.840 3.403 2.234 4.468 . 0 0 "[ . 1 . 2]" 1
15 1 4 GLU QG 1 5 GLY H . . 5.500 3.326 2.021 4.376 . 0 0 "[ . 1 . 2]" 1
16 1 5 GLY H 1 6 GLU H . . 3.920 2.709 1.818 3.992 0.072 16 0 "[ . 1 . 2]" 1
17 1 5 GLY HA2 1 6 GLU H . . 3.510 2.786 2.201 3.567 0.057 13 0 "[ . 1 . 2]" 1
18 1 5 GLY HA2 1 6 GLU HA . . 4.770 4.585 4.406 4.848 0.078 18 0 "[ . 1 . 2]" 1
19 1 5 GLY HA3 1 6 GLU H . . 3.500 3.428 2.334 3.582 0.082 3 0 "[ . 1 . 2]" 1
20 1 6 GLU H 1 6 GLU HB2 . . 3.320 3.011 2.098 3.925 0.605 13 1 "[ . 1 + . 2]" 1
21 1 6 GLU H 1 6 GLU HB3 . . 3.910 3.166 2.063 3.769 . 0 0 "[ . 1 . 2]" 1
22 1 6 GLU H 1 6 GLU QG . . 3.630 2.882 2.068 3.738 0.108 18 0 "[ . 1 . 2]" 1
23 1 6 GLU H 1 7 PRO HD3 . . 5.010 4.577 3.002 5.230 0.220 17 0 "[ . 1 . 2]" 1
24 1 6 GLU H 1 8 VAL H . . 5.310 4.871 4.260 5.386 0.076 17 0 "[ . 1 . 2]" 1
25 1 6 GLU HA 1 6 GLU QG . . 3.450 2.922 2.093 3.532 0.082 19 0 "[ . 1 . 2]" 1
26 1 6 GLU HA 1 7 PRO HD2 . . 3.150 2.436 2.055 2.932 . 0 0 "[ . 1 . 2]" 1
27 1 6 GLU HA 1 7 PRO HD3 . . 2.910 2.567 2.280 2.963 0.053 20 0 "[ . 1 . 2]" 1
28 1 6 GLU HB2 1 7 PRO HD2 . . 4.290 3.566 1.972 4.980 0.690 6 3 "[ .+ 1- . *]" 1
29 1 6 GLU HB3 1 6 GLU QG . . 2.500 2.405 2.071 2.554 0.054 6 0 "[ . 1 . 2]" 1
30 1 6 GLU QG 1 7 PRO HD3 . . 5.030 4.293 2.579 5.112 0.082 1 0 "[ . 1 . 2]" 1
31 1 7 PRO HA 1 8 VAL H . . 2.710 2.467 2.273 2.553 . 0 0 "[ . 1 . 2]" 1
32 1 7 PRO HA 1 8 VAL QG . . 4.910 4.085 3.700 4.484 . 0 0 "[ . 1 . 2]" 1
33 1 7 PRO HB3 1 8 VAL H . . 4.600 4.644 4.478 4.674 0.074 10 0 "[ . 1 . 2]" 1
34 1 7 PRO HB3 1 18 GLY H . . 4.590 4.476 3.799 4.671 0.081 16 0 "[ . 1 . 2]" 1
35 1 7 PRO HB3 1 19 ASN H . . 3.340 3.411 3.285 3.432 0.092 17 0 "[ . 1 . 2]" 1
36 1 7 PRO HB3 1 19 ASN HB2 . . 4.220 3.042 2.319 3.891 . 0 0 "[ . 1 . 2]" 1
37 1 7 PRO HB3 1 19 ASN HB3 . . 4.050 2.898 2.415 3.488 . 0 0 "[ . 1 . 2]" 1
38 1 7 PRO HB3 1 22 ILE MD . . 4.720 3.722 3.454 4.184 . 0 0 "[ . 1 . 2]" 1
39 1 7 PRO HB3 1 22 ILE MG . . 4.580 3.719 3.263 4.319 . 0 0 "[ . 1 . 2]" 1
40 1 7 PRO HD3 1 8 VAL H . . 5.500 5.034 4.707 5.430 . 0 0 "[ . 1 . 2]" 1
41 1 7 PRO HD3 1 19 ASN HD22 . . 5.500 5.051 3.869 5.618 0.118 11 0 "[ . 1 . 2]" 1
42 1 7 PRO HD3 1 22 ILE MD . . 5.490 4.797 4.386 5.622 0.132 15 0 "[ . 1 . 2]" 1
43 1 7 PRO QG 1 8 VAL H . . 5.490 4.500 4.324 4.786 . 0 0 "[ . 1 . 2]" 1
44 1 7 PRO QG 1 8 VAL QG . . 4.950 3.900 2.956 4.921 . 0 0 "[ . 1 . 2]" 1
45 1 7 PRO QG 1 22 ILE HB . . 5.000 2.991 2.107 3.779 . 0 0 "[ . 1 . 2]" 1
46 1 7 PRO QG 1 22 ILE MD . . 5.320 2.268 1.899 3.151 . 0 0 "[ . 1 . 2]" 1
47 1 8 VAL H 1 8 VAL HB . . 3.380 2.959 2.339 3.381 0.001 17 0 "[ . 1 . 2]" 1
48 1 8 VAL H 1 8 VAL QG . . 3.720 2.596 2.134 2.964 . 0 0 "[ . 1 . 2]" 1
49 1 8 VAL H 1 22 ILE MD . . 5.500 4.908 4.573 5.346 . 0 0 "[ . 1 . 2]" 1
50 1 8 VAL HA 1 9 VAL H . . 2.930 2.338 2.163 2.569 . 0 0 "[ . 1 . 2]" 1
51 1 8 VAL HA 1 9 VAL HA . . 4.380 4.371 4.231 4.456 0.076 17 0 "[ . 1 . 2]" 1
52 1 8 VAL HA 1 16 PHE HE2 . . 4.010 3.664 3.004 4.080 0.070 13 0 "[ . 1 . 2]" 1
53 1 8 VAL HA 1 16 PHE HZ . . 5.010 4.496 3.798 5.088 0.078 18 0 "[ . 1 . 2]" 1
54 1 9 VAL H 1 9 VAL HB . . 3.270 2.671 2.389 3.093 . 0 0 "[ . 1 . 2]" 1
55 1 9 VAL H 1 9 VAL QG . . 3.080 2.154 1.924 2.392 . 0 0 "[ . 1 . 2]" 1
56 1 9 VAL H 1 10 GLY H . . 5.400 4.108 3.431 4.592 . 0 0 "[ . 1 . 2]" 1
57 1 9 VAL H 1 25 ILE MG . . 5.370 4.165 3.352 5.269 . 0 0 "[ . 1 . 2]" 1
58 1 9 VAL HA 1 9 VAL QG . . 3.260 2.241 2.124 2.373 . 0 0 "[ . 1 . 2]" 1
59 1 9 VAL HA 1 10 GLY H . . 2.880 2.289 2.123 2.433 . 0 0 "[ . 1 . 2]" 1
60 1 9 VAL HA 1 10 GLY HA2 . . 4.440 4.470 4.335 4.627 0.187 15 0 "[ . 1 . 2]" 1
61 1 9 VAL HA 1 16 PHE HE2 . . 4.120 3.992 3.602 4.185 0.065 11 0 "[ . 1 . 2]" 1
62 1 9 VAL HA 1 16 PHE HZ . . 3.920 2.151 2.013 2.373 . 0 0 "[ . 1 . 2]" 1
63 1 9 VAL HB 1 10 GLY H . . 4.650 4.415 3.832 4.629 . 0 0 "[ . 1 . 2]" 1
64 1 9 VAL HB 1 16 PHE HZ . . 4.640 3.212 2.094 4.452 . 0 0 "[ . 1 . 2]" 1
65 1 9 VAL HB 1 25 ILE MG . . 5.090 4.074 3.524 4.656 . 0 0 "[ . 1 . 2]" 1
66 1 9 VAL HB 1 27 VAL MG1 . . 3.650 3.551 2.994 3.739 0.089 11 0 "[ . 1 . 2]" 1
67 1 9 VAL HB 1 27 VAL MG2 . . 3.950 3.977 3.568 4.060 0.110 16 0 "[ . 1 . 2]" 1
68 1 9 VAL QG 1 10 GLY H . . 3.830 3.174 1.943 3.677 . 0 0 "[ . 1 . 2]" 1
69 1 9 VAL QG 1 13 LYS QE . . 3.970 2.101 1.680 3.696 . 0 0 "[ . 1 . 2]" 1
70 1 9 VAL QG 1 13 LYS QG . . 3.960 3.426 2.211 3.862 . 0 0 "[ . 1 . 2]" 1
71 1 9 VAL QG 1 16 PHE HE2 . . 4.160 2.786 2.064 3.789 . 0 0 "[ . 1 . 2]" 1
72 1 9 VAL QG 1 25 ILE MG . . 3.540 2.809 2.004 3.555 0.015 1 0 "[ . 1 . 2]" 1
73 1 9 VAL QG 1 26 THR H . . 5.500 4.405 3.579 5.089 . 0 0 "[ . 1 . 2]" 1
74 1 9 VAL QG 1 27 VAL H . . 5.500 4.238 3.702 4.604 . 0 0 "[ . 1 . 2]" 1
75 1 9 VAL QG 1 27 VAL HA . . 4.460 2.134 1.891 2.454 . 0 0 "[ . 1 . 2]" 1
76 1 9 VAL QG 1 27 VAL MG1 . . 4.050 2.027 1.830 2.309 . 0 0 "[ . 1 . 2]" 1
77 1 9 VAL QG 1 27 VAL MG2 . . 3.210 2.516 1.970 3.165 . 0 0 "[ . 1 . 2]" 1
78 1 9 VAL QG 1 38 MET ME . . 4.430 3.824 3.277 4.385 . 0 0 "[ . 1 . 2]" 1
79 1 10 GLY H 1 11 MET H . . 4.360 3.360 2.468 4.422 0.062 17 0 "[ . 1 . 2]" 1
80 1 10 GLY H 1 12 ASP H . . 4.460 3.543 2.473 4.543 0.083 17 0 "[ . 1 . 2]" 1
81 1 10 GLY H 1 16 PHE HZ . . 5.420 4.040 3.682 4.251 . 0 0 "[ . 1 . 2]" 1
82 1 10 GLY HA2 1 11 MET H . . 3.240 2.729 2.139 3.558 0.318 6 0 "[ . 1 . 2]" 1
83 1 10 GLY HA2 1 11 MET QB . . 4.480 4.538 3.595 5.319 0.839 10 5 "[ * ** + . - 2]" 1
84 1 10 GLY HA2 1 12 ASP H . . 5.370 4.728 4.083 5.572 0.202 10 0 "[ . 1 . 2]" 1
85 1 10 GLY HA2 1 31 ILE MD . . 5.310 3.360 2.213 4.608 . 0 0 "[ . 1 . 2]" 1
86 1 10 GLY HA3 1 11 MET H . . 3.500 3.112 2.282 3.553 0.053 18 0 "[ . 1 . 2]" 1
87 1 10 GLY HA3 1 12 ASP H . . 5.500 4.191 3.883 4.404 . 0 0 "[ . 1 . 2]" 1
88 1 10 GLY HA3 1 31 ILE MD . . 4.590 4.646 3.657 5.411 0.821 10 3 "[ - * + . 2]" 1
89 1 11 MET H 1 11 MET QB . . 3.210 2.998 2.301 3.302 0.092 4 0 "[ . 1 . 2]" 1
90 1 11 MET H 1 11 MET HG2 . . 4.390 3.577 2.612 4.467 0.077 16 0 "[ . 1 . 2]" 1
91 1 11 MET H 1 11 MET HG3 . . 4.250 3.503 2.639 4.459 0.209 8 0 "[ . 1 . 2]" 1
92 1 11 MET H 1 31 ILE MD . . 5.500 3.166 1.712 5.510 0.010 10 0 "[ . 1 . 2]" 1
93 1 11 MET QB 1 12 ASP H . . 3.810 3.164 2.436 3.889 0.079 15 0 "[ . 1 . 2]" 1
94 1 11 MET ME 1 31 ILE HA . . 4.870 4.332 2.477 4.952 0.082 11 0 "[ . 1 . 2]" 1
95 1 11 MET ME 1 31 ILE MD . . 3.880 3.262 1.972 3.991 0.111 16 0 "[ . 1 . 2]" 1
96 1 11 MET HG2 1 31 ILE MD . . 5.260 3.523 2.111 5.283 0.023 9 0 "[ . 1 . 2]" 1
97 1 11 MET HG3 1 31 ILE MD . . 5.150 3.934 2.277 5.357 0.207 3 0 "[ . 1 . 2]" 1
98 1 12 ASP H 1 12 ASP QB . . 3.400 2.468 2.046 2.890 . 0 0 "[ . 1 . 2]" 1
99 1 12 ASP H 1 13 LYS H . . 5.040 4.325 3.775 4.571 . 0 0 "[ . 1 . 2]" 1
100 1 12 ASP H 1 15 LEU QD . . 4.850 4.027 3.290 4.804 . 0 0 "[ . 1 . 2]" 1
101 1 12 ASP HA 1 13 LYS H . . 3.290 2.336 2.137 2.852 . 0 0 "[ . 1 . 2]" 1
102 1 12 ASP QB 1 13 LYS H . . 4.770 3.648 2.944 4.115 . 0 0 "[ . 1 . 2]" 1
103 1 12 ASP QB 1 14 SER H . . 5.280 3.643 3.059 4.290 . 0 0 "[ . 1 . 2]" 1
104 1 12 ASP QB 1 15 LEU QD . . 3.620 2.356 2.008 3.333 . 0 0 "[ . 1 . 2]" 1
105 1 12 ASP QB 1 15 LEU HG . . 4.480 3.712 2.573 4.427 . 0 0 "[ . 1 . 2]" 1
106 1 13 LYS H 1 13 LYS HA . . 2.930 2.938 2.849 2.988 0.058 5 0 "[ . 1 . 2]" 1
107 1 13 LYS H 1 13 LYS HB2 . . 3.600 2.506 2.169 2.918 . 0 0 "[ . 1 . 2]" 1
108 1 13 LYS H 1 13 LYS HB3 . . 3.790 3.668 3.467 3.852 0.062 2 0 "[ . 1 . 2]" 1
109 1 13 LYS H 1 13 LYS QG . . 4.010 3.043 2.637 3.627 . 0 0 "[ . 1 . 2]" 1
110 1 13 LYS HA 1 14 SER HA . . 4.450 4.364 4.089 4.538 0.088 1 0 "[ . 1 . 2]" 1
111 1 13 LYS HB2 1 13 LYS QE . . 4.570 4.316 3.876 4.628 0.058 19 0 "[ . 1 . 2]" 1
112 1 13 LYS HB2 1 14 SER H . . 4.650 4.336 3.779 4.652 0.002 4 0 "[ . 1 . 2]" 1
113 1 13 LYS HB2 1 35 TYR QE . . 4.590 3.758 2.396 4.672 0.082 1 0 "[ . 1 . 2]" 1
114 1 13 LYS HB3 1 14 SER H . . 5.050 4.277 3.973 4.516 . 0 0 "[ . 1 . 2]" 1
115 1 13 LYS HB3 1 35 TYR QE . . 3.920 3.376 2.223 4.011 0.091 1 0 "[ . 1 . 2]" 1
116 1 13 LYS HB3 1 38 MET ME . . 3.070 2.676 2.028 3.137 0.067 1 0 "[ . 1 . 2]" 1
117 1 13 LYS HD3 1 38 MET ME . . 3.040 2.612 1.945 3.530 0.490 18 0 "[ . 1 . 2]" 1
118 1 13 LYS QE 1 31 ILE HG12 . . 4.970 3.952 3.271 4.932 . 0 0 "[ . 1 . 2]" 1
119 1 13 LYS QE 1 31 ILE HG13 . . 4.850 4.488 2.871 5.047 0.197 10 0 "[ . 1 . 2]" 1
120 1 13 LYS QE 1 31 ILE MG . . 3.580 2.850 1.908 3.665 0.085 12 0 "[ . 1 . 2]" 1
121 1 13 LYS QE 1 32 GLY H . . 5.390 4.532 3.224 5.457 0.067 12 0 "[ . 1 . 2]" 1
122 1 13 LYS QG 1 32 GLY H . . 5.170 4.665 4.252 5.063 . 0 0 "[ . 1 . 2]" 1
123 1 13 LYS QG 1 38 MET ME . . 3.470 3.223 2.309 3.466 . 0 0 "[ . 1 . 2]" 1
124 1 14 SER H 1 14 SER QB . . 3.530 2.756 2.133 3.315 . 0 0 "[ . 1 . 2]" 1
125 1 14 SER H 1 15 LEU H . . 3.620 2.233 1.730 3.424 . 0 0 "[ . 1 . 2]" 1
126 1 14 SER H 1 15 LEU HG . . 5.490 3.824 2.480 5.548 0.058 12 0 "[ . 1 . 2]" 1
127 1 14 SER HA 1 16 PHE H . . 4.970 4.131 3.328 5.035 0.065 14 0 "[ . 1 . 2]" 1
128 1 14 SER HA 1 35 TYR QE . . 4.870 3.427 2.185 4.527 . 0 0 "[ . 1 . 2]" 1
129 1 14 SER QB 1 15 LEU H . . 4.950 3.557 2.302 4.082 . 0 0 "[ . 1 . 2]" 1
130 1 14 SER QB 1 35 TYR QE . . 4.960 4.132 2.438 4.841 . 0 0 "[ . 1 . 2]" 1
131 1 15 LEU H 1 15 LEU HB2 . . 3.830 2.930 2.394 3.955 0.125 4 0 "[ . 1 . 2]" 1
132 1 15 LEU H 1 15 LEU HB3 . . 3.900 3.518 2.555 3.834 . 0 0 "[ . 1 . 2]" 1
133 1 15 LEU H 1 15 LEU QD . . 4.290 2.535 1.667 3.687 . 0 0 "[ . 1 . 2]" 1
134 1 15 LEU H 1 15 LEU HG . . 3.770 3.043 1.810 3.844 0.074 20 0 "[ . 1 . 2]" 1
135 1 15 LEU H 1 16 PHE H . . 3.870 3.000 2.132 3.912 0.042 1 0 "[ . 1 . 2]" 1
136 1 15 LEU HA 1 15 LEU QD . . 3.350 2.615 2.161 3.289 . 0 0 "[ . 1 . 2]" 1
137 1 15 LEU HA 1 15 LEU HG . . 4.100 3.476 2.710 4.175 0.075 3 0 "[ . 1 . 2]" 1
138 1 15 LEU HB2 1 16 PHE H . . 4.680 4.095 3.302 4.510 . 0 0 "[ . 1 . 2]" 1
139 1 15 LEU HB3 1 16 PHE H . . 4.610 4.465 4.203 4.731 0.121 3 0 "[ . 1 . 2]" 1
140 1 15 LEU QD 1 16 PHE H . . 5.500 4.117 2.905 4.713 . 0 0 "[ . 1 . 2]" 1
141 1 16 PHE H 1 16 PHE HB2 . . 3.730 2.620 2.378 3.055 . 0 0 "[ . 1 . 2]" 1
142 1 16 PHE H 1 16 PHE HB3 . . 4.170 3.729 3.570 4.015 . 0 0 "[ . 1 . 2]" 1
143 1 16 PHE H 1 17 ALA H . . 3.160 2.317 1.924 2.752 . 0 0 "[ . 1 . 2]" 1
144 1 16 PHE H 1 17 ALA HA . . 5.380 4.974 4.606 5.423 0.043 13 0 "[ . 1 . 2]" 1
145 1 16 PHE H 1 17 ALA MB . . 5.200 3.943 3.699 4.276 . 0 0 "[ . 1 . 2]" 1
146 1 16 PHE HA 1 16 PHE HD2 . . 3.520 3.288 3.050 3.583 0.063 17 0 "[ . 1 . 2]" 1
147 1 16 PHE HA 1 19 ASN H . . 5.320 4.422 4.101 5.188 . 0 0 "[ . 1 . 2]" 1
148 1 16 PHE HA 1 22 ILE MD . . 4.670 4.447 3.910 4.754 0.084 20 0 "[ . 1 . 2]" 1
149 1 16 PHE HB2 1 16 PHE HD2 . . 3.470 3.539 3.455 3.556 0.086 12 0 "[ . 1 . 2]" 1
150 1 16 PHE HB2 1 17 ALA H . . 3.960 2.746 2.279 3.661 . 0 0 "[ . 1 . 2]" 1
151 1 16 PHE HB2 1 25 ILE MD . . 4.960 4.677 4.026 5.046 0.086 4 0 "[ . 1 . 2]" 1
152 1 16 PHE HB2 1 38 MET ME . . 4.060 3.190 2.479 4.102 0.042 17 0 "[ . 1 . 2]" 1
153 1 16 PHE HB2 1 38 MET HG2 . . 5.170 4.433 3.239 5.646 0.476 18 0 "[ . 1 . 2]" 1
154 1 16 PHE HB2 1 39 PHE HA . . 4.390 3.616 3.176 4.251 . 0 0 "[ . 1 . 2]" 1
155 1 16 PHE HB3 1 16 PHE HD2 . . 3.430 2.317 2.271 2.351 . 0 0 "[ . 1 . 2]" 1
156 1 16 PHE HB3 1 17 ALA H . . 4.400 3.661 3.213 4.318 . 0 0 "[ . 1 . 2]" 1
157 1 16 PHE HB3 1 17 ALA HA . . 5.020 4.503 3.916 4.726 . 0 0 "[ . 1 . 2]" 1
158 1 16 PHE HB3 1 22 ILE MD . . 4.730 4.646 4.148 4.834 0.104 20 0 "[ . 1 . 2]" 1
159 1 16 PHE HB3 1 25 ILE MD . . 4.330 3.402 2.796 3.827 . 0 0 "[ . 1 . 2]" 1
160 1 16 PHE HB3 1 39 PHE QE . . 4.200 3.177 2.395 3.932 . 0 0 "[ . 1 . 2]" 1
161 1 16 PHE HD2 1 22 ILE MD . . 3.680 3.602 2.860 3.778 0.098 6 0 "[ . 1 . 2]" 1
162 1 16 PHE HD2 1 25 ILE MD . . 3.630 2.285 2.023 2.718 . 0 0 "[ . 1 . 2]" 1
163 1 16 PHE HD2 1 39 PHE QE . . 2.810 2.728 2.326 2.888 0.078 17 0 "[ . 1 . 2]" 1
164 1 16 PHE HE2 1 25 ILE MD . . 4.250 3.400 2.433 4.220 . 0 0 "[ . 1 . 2]" 1
165 1 16 PHE HE2 1 25 ILE MG . . 4.760 2.481 2.107 3.028 . 0 0 "[ . 1 . 2]" 1
166 1 16 PHE HE2 1 38 MET ME . . 4.010 4.011 3.458 4.117 0.107 18 0 "[ . 1 . 2]" 1
167 1 17 ALA H 1 17 ALA MB . . 3.130 2.205 2.105 2.374 . 0 0 "[ . 1 . 2]" 1
168 1 17 ALA H 1 18 GLY H . . 4.730 3.623 2.469 4.158 . 0 0 "[ . 1 . 2]" 1
169 1 17 ALA H 1 19 ASN H . . 5.370 5.220 4.691 5.459 0.089 6 0 "[ . 1 . 2]" 1
170 1 17 ALA HA 1 18 GLY H . . 2.840 2.565 2.225 2.932 0.092 18 0 "[ . 1 . 2]" 1
171 1 17 ALA HA 1 18 GLY HA2 . . 4.510 4.402 4.132 4.591 0.081 13 0 "[ . 1 . 2]" 1
172 1 17 ALA HA 1 19 ASN H . . 4.190 4.131 3.440 4.273 0.083 5 0 "[ . 1 . 2]" 1
173 1 17 ALA HA 1 39 PHE HA . . 3.900 3.637 3.176 3.978 0.078 4 0 "[ . 1 . 2]" 1
174 1 17 ALA HA 1 40 SER H . . 4.640 4.622 4.296 4.723 0.083 13 0 "[ . 1 . 2]" 1
175 1 17 ALA MB 1 18 GLY H . . 3.690 3.661 3.460 3.771 0.081 15 0 "[ . 1 . 2]" 1
176 1 17 ALA MB 1 18 GLY HA3 . . 4.880 4.679 4.522 4.869 . 0 0 "[ . 1 . 2]" 1
177 1 17 ALA MB 1 19 ASN H . . 5.320 5.184 4.632 5.348 0.028 5 0 "[ . 1 . 2]" 1
178 1 17 ALA MB 1 38 MET HA . . 4.710 4.024 3.723 4.773 0.063 11 0 "[ . 1 . 2]" 1
179 1 17 ALA MB 1 39 PHE H . . 5.090 4.340 3.725 4.841 . 0 0 "[ . 1 . 2]" 1
180 1 17 ALA MB 1 39 PHE HA . . 5.310 3.181 2.563 3.944 . 0 0 "[ . 1 . 2]" 1
181 1 17 ALA MB 1 40 SER H . . 4.260 2.819 2.454 3.420 . 0 0 "[ . 1 . 2]" 1
182 1 17 ALA MB 1 40 SER HA . . 5.500 4.458 4.046 5.008 . 0 0 "[ . 1 . 2]" 1
183 1 17 ALA MB 1 40 SER QB . . 4.120 3.130 2.348 3.953 . 0 0 "[ . 1 . 2]" 1
184 1 18 GLY H 1 19 ASN HA . . 5.110 4.615 4.190 5.030 . 0 0 "[ . 1 . 2]" 1
185 1 18 GLY HA2 1 20 THR MG . . 4.980 4.497 3.682 5.060 0.080 18 0 "[ . 1 . 2]" 1
186 1 19 ASN H 1 19 ASN HB2 . . 3.330 2.824 2.399 3.236 . 0 0 "[ . 1 . 2]" 1
187 1 19 ASN H 1 19 ASN HB3 . . 3.270 2.659 2.424 3.016 . 0 0 "[ . 1 . 2]" 1
188 1 19 ASN H 1 20 THR H . . 4.790 4.261 3.977 4.554 . 0 0 "[ . 1 . 2]" 1
189 1 19 ASN H 1 22 ILE MD . . 5.500 5.409 5.091 5.611 0.111 5 0 "[ . 1 . 2]" 1
190 1 19 ASN H 1 22 ILE MG . . 5.410 3.889 3.686 4.115 . 0 0 "[ . 1 . 2]" 1
191 1 19 ASN HA 1 19 ASN HD22 . . 5.500 4.499 4.273 4.692 . 0 0 "[ . 1 . 2]" 1
192 1 19 ASN HA 1 20 THR H . . 2.890 2.201 2.138 2.328 . 0 0 "[ . 1 . 2]" 1
193 1 19 ASN HA 1 21 VAL H . . 4.150 3.906 3.521 4.228 0.078 14 0 "[ . 1 . 2]" 1
194 1 19 ASN HA 1 21 VAL QG . . 4.080 3.951 3.460 4.197 0.117 18 0 "[ . 1 . 2]" 1
195 1 19 ASN HB2 1 19 ASN HD21 . . 3.550 3.152 2.500 3.565 0.015 4 0 "[ . 1 . 2]" 1
196 1 19 ASN HB2 1 20 THR H . . 4.460 4.402 3.929 4.575 0.115 12 0 "[ . 1 . 2]" 1
197 1 19 ASN HB2 1 22 ILE MG . . 4.370 4.249 3.750 4.480 0.110 4 0 "[ . 1 . 2]" 1
198 1 19 ASN HB3 1 20 THR H . . 4.870 4.244 3.342 4.494 . 0 0 "[ . 1 . 2]" 1
199 1 19 ASN HB3 1 21 VAL H . . 5.500 3.725 3.215 4.141 . 0 0 "[ . 1 . 2]" 1
200 1 19 ASN HB3 1 22 ILE HB . . 4.880 3.411 2.748 4.449 . 0 0 "[ . 1 . 2]" 1
201 1 19 ASN HB3 1 22 ILE MD . . 4.450 3.983 3.496 4.556 0.106 19 0 "[ . 1 . 2]" 1
202 1 19 ASN HB3 1 22 ILE MG . . 3.940 2.773 2.258 3.076 . 0 0 "[ . 1 . 2]" 1
203 1 19 ASN HD21 1 22 ILE HB . . 4.790 2.676 1.892 4.052 . 0 0 "[ . 1 . 2]" 1
204 1 19 ASN HD21 1 22 ILE MD . . 4.970 3.829 2.674 4.847 . 0 0 "[ . 1 . 2]" 1
205 1 19 ASN HD21 1 22 ILE MG . . 4.650 3.356 1.993 4.708 0.058 6 0 "[ . 1 . 2]" 1
206 1 19 ASN HD22 1 20 THR H . . 5.500 5.066 3.894 5.578 0.078 12 0 "[ . 1 . 2]" 1
207 1 19 ASN HD22 1 21 VAL HB . . 5.420 3.657 2.121 5.475 0.055 14 0 "[ . 1 . 2]" 1
208 1 19 ASN HD22 1 21 VAL QG . . 4.680 2.898 2.052 4.103 . 0 0 "[ . 1 . 2]" 1
209 1 19 ASN HD22 1 22 ILE HB . . 4.380 3.744 2.585 4.468 0.088 10 0 "[ . 1 . 2]" 1
210 1 20 THR H 1 20 THR HB . . 4.190 3.443 3.352 3.677 . 0 0 "[ . 1 . 2]" 1
211 1 20 THR H 1 20 THR MG . . 3.220 2.473 2.138 3.210 . 0 0 "[ . 1 . 2]" 1
212 1 20 THR H 1 21 VAL QG . . 4.630 3.152 2.432 4.183 . 0 0 "[ . 1 . 2]" 1
213 1 20 THR H 1 22 ILE H . . 5.410 4.980 4.087 5.486 0.076 20 0 "[ . 1 . 2]" 1
214 1 20 THR HA 1 20 THR MG . . 3.120 2.278 2.193 2.355 . 0 0 "[ . 1 . 2]" 1
215 1 20 THR HA 1 21 VAL H . . 3.320 3.126 2.921 3.343 0.023 1 0 "[ . 1 . 2]" 1
216 1 20 THR HA 1 42 CYS HA . . 2.980 2.918 2.527 3.056 0.076 3 0 "[ . 1 . 2]" 1
217 1 20 THR HA 1 43 THR H . . 3.510 2.952 2.584 3.557 0.047 19 0 "[ . 1 . 2]" 1
218 1 20 THR HA 1 44 ALA H . . 3.820 3.665 3.315 3.877 0.057 1 0 "[ . 1 . 2]" 1
219 1 20 THR HB 1 21 VAL H . . 5.180 4.374 4.068 4.506 . 0 0 "[ . 1 . 2]" 1
220 1 20 THR HB 1 21 VAL QG . . 4.810 3.950 2.859 4.914 0.104 12 0 "[ . 1 . 2]" 1
221 1 20 THR HB 1 43 THR H . . 4.360 3.930 2.506 4.414 0.054 4 0 "[ . 1 . 2]" 1
222 1 20 THR MG 1 21 VAL H . . 5.130 4.438 4.322 4.533 . 0 0 "[ . 1 . 2]" 1
223 1 20 THR MG 1 21 VAL QG . . 4.960 4.330 3.733 5.063 0.103 11 0 "[ . 1 . 2]" 1
224 1 20 THR MG 1 43 THR H . . 3.580 2.899 2.598 3.212 . 0 0 "[ . 1 . 2]" 1
225 1 20 THR MG 1 44 ALA H . . 5.010 4.712 4.257 5.094 0.084 7 0 "[ . 1 . 2]" 1
226 1 21 VAL H 1 21 VAL HB . . 3.280 3.050 2.696 3.300 0.020 20 0 "[ . 1 . 2]" 1
227 1 21 VAL H 1 21 VAL QG . . 3.130 2.462 2.150 2.729 . 0 0 "[ . 1 . 2]" 1
228 1 21 VAL H 1 22 ILE H . . 2.960 2.177 1.739 2.804 . 0 0 "[ . 1 . 2]" 1
229 1 21 VAL H 1 22 ILE HA . . 5.310 4.482 4.265 4.883 . 0 0 "[ . 1 . 2]" 1
230 1 21 VAL H 1 22 ILE HB . . 5.240 4.054 3.767 4.409 . 0 0 "[ . 1 . 2]" 1
231 1 21 VAL H 1 22 ILE MD . . 5.500 5.550 5.323 5.606 0.106 6 0 "[ . 1 . 2]" 1
232 1 21 VAL H 1 22 ILE MG . . 4.190 3.035 2.417 3.437 . 0 0 "[ . 1 . 2]" 1
233 1 21 VAL H 1 44 ALA H . . 4.900 4.935 4.450 4.985 0.085 19 0 "[ . 1 . 2]" 1
234 1 21 VAL HA 1 21 VAL QG . . 3.160 2.220 2.134 2.380 . 0 0 "[ . 1 . 2]" 1
235 1 21 VAL HA 1 44 ALA MB . . 3.470 2.200 1.983 2.457 . 0 0 "[ . 1 . 2]" 1
236 1 21 VAL QG 1 22 ILE H . . 3.830 3.581 2.774 3.878 0.048 9 0 "[ . 1 . 2]" 1
237 1 21 VAL QG 1 44 ALA MB . . 3.190 3.224 2.858 3.345 0.155 8 0 "[ . 1 . 2]" 1
238 1 22 ILE H 1 22 ILE HB . . 3.320 2.944 2.518 3.384 0.064 20 0 "[ . 1 . 2]" 1
239 1 22 ILE H 1 22 ILE HG12 . . 4.580 4.368 4.201 4.552 . 0 0 "[ . 1 . 2]" 1
240 1 22 ILE H 1 22 ILE MG . . 3.300 1.978 1.744 2.277 . 0 0 "[ . 1 . 2]" 1
241 1 22 ILE H 1 23 ARG H . . 5.110 4.063 3.651 4.307 . 0 0 "[ . 1 . 2]" 1
242 1 22 ILE H 1 24 GLU H . . 5.330 5.366 5.178 5.421 0.091 2 0 "[ . 1 . 2]" 1
243 1 22 ILE H 1 44 ALA MB . . 4.700 3.436 2.374 4.344 . 0 0 "[ . 1 . 2]" 1
244 1 22 ILE HA 1 22 ILE MD . . 4.080 3.657 3.461 3.829 . 0 0 "[ . 1 . 2]" 1
245 1 22 ILE HA 1 22 ILE HG12 . . 3.580 3.267 3.086 3.566 . 0 0 "[ . 1 . 2]" 1
246 1 22 ILE HA 1 22 ILE HG13 . . 3.540 2.414 2.252 2.646 . 0 0 "[ . 1 . 2]" 1
247 1 22 ILE HA 1 22 ILE MG . . 3.610 3.283 3.247 3.317 . 0 0 "[ . 1 . 2]" 1
248 1 22 ILE HA 1 23 ARG H . . 2.650 2.157 2.102 2.234 . 0 0 "[ . 1 . 2]" 1
249 1 22 ILE HA 1 23 ARG QG . . 5.010 4.156 3.720 4.842 . 0 0 "[ . 1 . 2]" 1
250 1 22 ILE HA 1 24 GLU H . . 3.630 3.333 3.198 3.467 . 0 0 "[ . 1 . 2]" 1
251 1 22 ILE HB 1 23 ARG H . . 4.670 4.378 4.243 4.487 . 0 0 "[ . 1 . 2]" 1
252 1 22 ILE HB 1 24 GLU H . . 4.660 4.706 4.524 4.749 0.089 1 0 "[ . 1 . 2]" 1
253 1 22 ILE MD 1 23 ARG H . . 4.960 4.949 4.697 5.071 0.111 11 0 "[ . 1 . 2]" 1
254 1 22 ILE MD 1 25 ILE HA . . 4.830 3.212 2.835 3.626 . 0 0 "[ . 1 . 2]" 1
255 1 22 ILE MD 1 25 ILE MD . . 3.690 2.663 1.889 3.173 . 0 0 "[ . 1 . 2]" 1
256 1 22 ILE MD 1 25 ILE HG12 . . 3.530 2.185 2.017 2.625 . 0 0 "[ . 1 . 2]" 1
257 1 22 ILE HG12 1 23 ARG H . . 4.150 4.072 3.607 4.447 0.297 1 0 "[ . 1 . 2]" 1
258 1 22 ILE HG12 1 24 GLU H . . 4.400 2.782 2.265 3.169 . 0 0 "[ . 1 . 2]" 1
259 1 22 ILE HG12 1 45 LEU QD . . 4.740 3.228 2.481 4.458 . 0 0 "[ . 1 . 2]" 1
260 1 22 ILE HG13 1 23 ARG H . . 4.420 3.579 3.226 3.856 . 0 0 "[ . 1 . 2]" 1
261 1 22 ILE HG13 1 24 GLU H . . 3.950 2.722 2.199 2.979 . 0 0 "[ . 1 . 2]" 1
262 1 22 ILE MG 1 23 ARG H . . 4.870 4.405 4.285 4.488 . 0 0 "[ . 1 . 2]" 1
263 1 22 ILE MG 1 24 GLU H . . 4.880 4.335 4.015 4.658 . 0 0 "[ . 1 . 2]" 1
264 1 22 ILE MG 1 45 LEU HA . . 5.500 4.099 3.789 4.730 . 0 0 "[ . 1 . 2]" 1
265 1 23 ARG H 1 23 ARG HB2 . . 3.390 2.439 2.214 2.663 . 0 0 "[ . 1 . 2]" 1
266 1 23 ARG H 1 23 ARG HB3 . . 3.900 3.626 3.453 3.721 . 0 0 "[ . 1 . 2]" 1
267 1 23 ARG H 1 23 ARG HD3 . . 5.500 4.984 4.658 5.727 0.227 13 0 "[ . 1 . 2]" 1
268 1 23 ARG H 1 23 ARG QG . . 4.180 2.634 2.282 3.337 . 0 0 "[ . 1 . 2]" 1
269 1 23 ARG H 1 24 GLU H . . 3.040 2.564 2.052 2.894 . 0 0 "[ . 1 . 2]" 1
270 1 23 ARG H 1 24 GLU HA . . 5.500 5.192 4.773 5.412 . 0 0 "[ . 1 . 2]" 1
271 1 23 ARG H 1 24 GLU QG . . 5.460 4.806 3.766 5.515 0.055 17 0 "[ . 1 . 2]" 1
272 1 23 ARG HA 1 23 ARG HD2 . . 5.040 4.413 3.608 4.833 . 0 0 "[ . 1 . 2]" 1
273 1 23 ARG HA 1 23 ARG HD3 . . 4.840 4.301 2.227 4.748 . 0 0 "[ . 1 . 2]" 1
274 1 23 ARG HA 1 23 ARG QG . . 3.830 2.302 2.144 2.544 . 0 0 "[ . 1 . 2]" 1
275 1 23 ARG HA 1 24 GLU QG . . 4.920 4.662 4.069 5.017 0.097 17 0 "[ . 1 . 2]" 1
276 1 23 ARG HA 1 44 ALA MB . . 4.070 3.834 3.164 4.161 0.091 18 0 "[ . 1 . 2]" 1
277 1 23 ARG HA 1 45 LEU H . . 5.500 4.599 4.180 5.449 . 0 0 "[ . 1 . 2]" 1
278 1 23 ARG HA 1 45 LEU HA . . 3.010 2.285 1.873 3.053 0.043 13 0 "[ . 1 . 2]" 1
279 1 23 ARG HA 1 45 LEU QD . . 3.870 3.430 3.098 3.881 0.011 13 0 "[ . 1 . 2]" 1
280 1 23 ARG HA 1 46 GLU H . . 3.430 2.591 2.135 3.246 . 0 0 "[ . 1 . 2]" 1
281 1 23 ARG HA 1 46 GLU QG . . 4.800 3.757 2.648 4.694 . 0 0 "[ . 1 . 2]" 1
282 1 23 ARG HA 1 47 LYS H . . 4.670 3.939 3.426 4.584 . 0 0 "[ . 1 . 2]" 1
283 1 23 ARG HB2 1 23 ARG HD3 . . 3.920 3.453 2.877 3.975 0.055 18 0 "[ . 1 . 2]" 1
284 1 23 ARG HB2 1 24 GLU H . . 4.250 3.603 3.239 4.139 . 0 0 "[ . 1 . 2]" 1
285 1 23 ARG HB3 1 23 ARG HD3 . . 4.010 3.025 2.245 3.779 . 0 0 "[ . 1 . 2]" 1
286 1 23 ARG HB3 1 44 ALA MB . . 5.280 4.768 4.286 5.143 . 0 0 "[ . 1 . 2]" 1
287 1 23 ARG HB3 1 47 LYS H . . 5.310 4.556 3.830 5.361 0.051 13 0 "[ . 1 . 2]" 1
288 1 23 ARG HD2 1 44 ALA MB . . 4.680 4.344 3.744 4.931 0.251 5 0 "[ . 1 . 2]" 1
289 1 23 ARG HD3 1 44 ALA MB . . 5.340 3.787 2.659 4.816 . 0 0 "[ . 1 . 2]" 1
290 1 23 ARG HD3 1 46 GLU QG . . 5.330 4.296 2.395 6.170 0.840 2 1 "[ + . 1 . 2]" 1
291 1 23 ARG QG 1 24 GLU H . . 5.110 4.457 4.102 4.791 . 0 0 "[ . 1 . 2]" 1
292 1 23 ARG QG 1 44 ALA MB . . 4.810 2.408 2.088 2.720 . 0 0 "[ . 1 . 2]" 1
293 1 23 ARG QG 1 45 LEU H . . 5.500 4.873 4.061 5.384 . 0 0 "[ . 1 . 2]" 1
294 1 23 ARG QG 1 45 LEU HA . . 5.070 3.850 3.365 4.271 . 0 0 "[ . 1 . 2]" 1
295 1 23 ARG QG 1 46 GLU H . . 5.500 3.918 3.128 4.768 . 0 0 "[ . 1 . 2]" 1
296 1 23 ARG QG 1 46 GLU QG . . 5.200 3.463 2.302 4.676 . 0 0 "[ . 1 . 2]" 1
297 1 24 GLU H 1 24 GLU HB2 . . 4.000 2.746 2.524 3.107 . 0 0 "[ . 1 . 2]" 1
298 1 24 GLU H 1 24 GLU HB3 . . 3.930 3.707 3.352 3.978 0.048 10 0 "[ . 1 . 2]" 1
299 1 24 GLU H 1 24 GLU QG . . 4.170 3.577 2.889 3.933 . 0 0 "[ . 1 . 2]" 1
300 1 24 GLU H 1 45 LEU QD . . 4.160 3.740 3.217 4.212 0.052 19 0 "[ . 1 . 2]" 1
301 1 24 GLU HA 1 24 GLU QG . . 3.620 2.338 2.059 2.682 . 0 0 "[ . 1 . 2]" 1
302 1 24 GLU HA 1 25 ILE H . . 2.860 2.189 2.022 2.339 . 0 0 "[ . 1 . 2]" 1
303 1 24 GLU HA 1 45 LEU QD . . 3.330 3.322 2.981 3.427 0.097 13 0 "[ . 1 . 2]" 1
304 1 24 GLU HA 1 46 GLU H . . 4.640 4.511 4.260 4.695 0.055 10 0 "[ . 1 . 2]" 1
305 1 24 GLU HA 1 47 LYS H . . 3.910 3.308 3.052 3.603 . 0 0 "[ . 1 . 2]" 1
306 1 24 GLU HA 1 47 LYS HB3 . . 4.180 3.164 2.706 3.666 . 0 0 "[ . 1 . 2]" 1
307 1 24 GLU HB2 1 24 GLU QG . . 2.700 2.384 2.200 2.509 . 0 0 "[ . 1 . 2]" 1
308 1 24 GLU HB2 1 25 ILE H . . 4.350 4.306 3.908 4.433 0.083 16 0 "[ . 1 . 2]" 1
309 1 24 GLU HB3 1 25 ILE H . . 4.140 3.327 2.901 3.637 . 0 0 "[ . 1 . 2]" 1
310 1 24 GLU HB3 1 49 ILE MD . . 4.170 3.130 2.227 3.972 . 0 0 "[ . 1 . 2]" 1
311 1 24 GLU QG 1 25 ILE H . . 4.490 3.770 2.842 4.377 . 0 0 "[ . 1 . 2]" 1
312 1 24 GLU QG 1 45 LEU QD . . 5.410 4.592 4.338 5.003 . 0 0 "[ . 1 . 2]" 1
313 1 24 GLU QG 1 47 LYS H . . 4.800 4.104 3.652 4.887 0.087 10 0 "[ . 1 . 2]" 1
314 1 24 GLU QG 1 47 LYS HB2 . . 4.570 2.284 2.058 3.139 . 0 0 "[ . 1 . 2]" 1
315 1 24 GLU QG 1 47 LYS HB3 . . 3.700 2.734 2.013 3.539 . 0 0 "[ . 1 . 2]" 1
316 1 24 GLU QG 1 47 LYS QG . . 4.860 3.449 2.971 3.878 . 0 0 "[ . 1 . 2]" 1
317 1 24 GLU QG 1 49 ILE MD . . 4.150 2.879 2.015 4.218 0.068 3 0 "[ . 1 . 2]" 1
318 1 25 ILE H 1 25 ILE HB . . 3.510 2.776 2.409 3.164 . 0 0 "[ . 1 . 2]" 1
319 1 25 ILE H 1 25 ILE MD . . 5.490 4.247 3.896 4.466 . 0 0 "[ . 1 . 2]" 1
320 1 25 ILE H 1 25 ILE HG12 . . 4.710 3.872 3.227 4.330 . 0 0 "[ . 1 . 2]" 1
321 1 25 ILE H 1 25 ILE HG13 . . 4.400 3.038 2.734 3.938 . 0 0 "[ . 1 . 2]" 1
322 1 25 ILE H 1 25 ILE MG . . 4.290 3.912 3.727 4.026 . 0 0 "[ . 1 . 2]" 1
323 1 25 ILE H 1 26 THR H . . 4.880 3.967 3.661 4.427 . 0 0 "[ . 1 . 2]" 1
324 1 25 ILE H 1 45 LEU QD . . 3.660 3.383 2.970 3.680 0.020 4 0 "[ . 1 . 2]" 1
325 1 25 ILE H 1 47 LYS H . . 4.910 4.489 4.106 4.959 0.049 13 0 "[ . 1 . 2]" 1
326 1 25 ILE H 1 47 LYS HB3 . . 5.500 3.922 3.630 4.451 . 0 0 "[ . 1 . 2]" 1
327 1 25 ILE H 1 48 LEU HA . . 3.830 2.591 2.093 3.263 . 0 0 "[ . 1 . 2]" 1
328 1 25 ILE H 1 48 LEU QD . . 4.630 3.867 3.458 4.332 . 0 0 "[ . 1 . 2]" 1
329 1 25 ILE H 1 49 ILE H . . 4.650 3.767 3.100 4.152 . 0 0 "[ . 1 . 2]" 1
330 1 25 ILE H 1 49 ILE MD . . 4.710 3.168 2.528 4.684 . 0 0 "[ . 1 . 2]" 1
331 1 25 ILE H 1 49 ILE HG13 . . 5.500 5.254 4.656 5.568 0.068 9 0 "[ . 1 . 2]" 1
332 1 25 ILE HA 1 25 ILE MD . . 4.280 3.802 2.541 3.954 . 0 0 "[ . 1 . 2]" 1
333 1 25 ILE HA 1 25 ILE HG12 . . 3.830 2.618 2.438 2.858 . 0 0 "[ . 1 . 2]" 1
334 1 25 ILE HA 1 25 ILE HG13 . . 3.910 3.209 2.830 3.693 . 0 0 "[ . 1 . 2]" 1
335 1 25 ILE HA 1 25 ILE MG . . 3.540 2.406 2.112 2.637 . 0 0 "[ . 1 . 2]" 1
336 1 25 ILE HA 1 26 THR H . . 2.970 2.215 2.146 2.282 . 0 0 "[ . 1 . 2]" 1
337 1 25 ILE HB 1 25 ILE MD . . 3.740 2.526 2.303 3.211 . 0 0 "[ . 1 . 2]" 1
338 1 25 ILE HB 1 48 LEU HA . . 4.160 2.974 2.528 3.326 . 0 0 "[ . 1 . 2]" 1
339 1 25 ILE MD 1 25 ILE MG . . 3.300 2.075 1.963 2.187 . 0 0 "[ . 1 . 2]" 1
340 1 25 ILE MD 1 45 LEU QD . . 4.130 2.012 1.799 3.179 . 0 0 "[ . 1 . 2]" 1
341 1 25 ILE HG12 1 25 ILE MG . . 3.590 2.516 2.243 3.226 . 0 0 "[ . 1 . 2]" 1
342 1 25 ILE HG13 1 26 THR H . . 4.930 5.234 4.995 5.531 0.601 15 4 "[ . 1 *-*+ 2]" 1
343 1 25 ILE HG13 1 45 LEU QD . . 3.120 2.202 1.923 3.150 0.030 19 0 "[ . 1 . 2]" 1
344 1 25 ILE MG 1 26 THR H . . 3.520 3.229 2.747 3.572 0.052 16 0 "[ . 1 . 2]" 1
345 1 25 ILE MG 1 27 VAL MG1 . . 4.500 3.848 3.645 4.209 . 0 0 "[ . 1 . 2]" 1
346 1 25 ILE MG 1 27 VAL MG2 . . 3.670 2.121 1.961 2.537 . 0 0 "[ . 1 . 2]" 1
347 1 26 THR H 1 26 THR HB . . 3.430 2.533 2.325 3.165 . 0 0 "[ . 1 . 2]" 1
348 1 26 THR H 1 26 THR MG . . 4.000 3.781 3.536 3.860 . 0 0 "[ . 1 . 2]" 1
349 1 26 THR H 1 27 VAL H . . 5.060 4.506 4.158 4.660 . 0 0 "[ . 1 . 2]" 1
350 1 26 THR H 1 27 VAL MG2 . . 4.630 4.352 3.910 4.589 . 0 0 "[ . 1 . 2]" 1
351 1 26 THR H 1 49 ILE HB . . 4.630 4.635 4.490 4.713 0.083 3 0 "[ . 1 . 2]" 1
352 1 26 THR H 1 49 ILE MD . . 5.500 4.040 3.531 4.960 . 0 0 "[ . 1 . 2]" 1
353 1 26 THR HA 1 26 THR MG . . 3.320 2.370 2.122 2.579 . 0 0 "[ . 1 . 2]" 1
354 1 26 THR HA 1 27 VAL H . . 2.940 2.279 2.186 2.379 . 0 0 "[ . 1 . 2]" 1
355 1 26 THR HA 1 27 VAL MG2 . . 4.270 3.524 3.286 3.794 . 0 0 "[ . 1 . 2]" 1
356 1 26 THR HA 1 49 ILE H . . 3.770 2.636 2.419 2.856 . 0 0 "[ . 1 . 2]" 1
357 1 26 THR HA 1 49 ILE HA . . 4.900 4.493 4.360 4.589 . 0 0 "[ . 1 . 2]" 1
358 1 26 THR HA 1 49 ILE HB . . 3.100 2.303 2.134 2.537 . 0 0 "[ . 1 . 2]" 1
359 1 26 THR HA 1 49 ILE MD . . 4.070 3.303 2.971 4.138 0.068 2 0 "[ . 1 . 2]" 1
360 1 26 THR HA 1 49 ILE HG13 . . 4.800 4.820 4.553 4.884 0.084 14 0 "[ . 1 . 2]" 1
361 1 26 THR HA 1 49 ILE MG . . 3.930 3.705 3.333 3.853 . 0 0 "[ . 1 . 2]" 1
362 1 26 THR HA 1 51 THR MG . . 5.420 4.133 3.646 4.737 . 0 0 "[ . 1 . 2]" 1
363 1 26 THR HB 1 27 VAL H . . 4.840 4.202 3.613 4.569 . 0 0 "[ . 1 . 2]" 1
364 1 26 THR MG 1 27 VAL H . . 3.460 2.822 2.431 3.542 0.082 4 0 "[ . 1 . 2]" 1
365 1 26 THR MG 1 28 GLN HE21 . . 4.710 3.818 2.024 4.792 0.082 5 0 "[ . 1 . 2]" 1
366 1 26 THR MG 1 28 GLN QG . . 4.290 3.760 3.037 4.411 0.121 5 0 "[ . 1 . 2]" 1
367 1 26 THR MG 1 49 ILE H . . 5.350 4.322 3.835 4.674 . 0 0 "[ . 1 . 2]" 1
368 1 26 THR MG 1 49 ILE HB . . 3.540 2.619 2.266 3.174 . 0 0 "[ . 1 . 2]" 1
369 1 26 THR MG 1 49 ILE MD . . 3.810 3.695 3.062 3.932 0.122 3 0 "[ . 1 . 2]" 1
370 1 26 THR MG 1 49 ILE MG . . 3.510 2.777 2.180 3.354 . 0 0 "[ . 1 . 2]" 1
371 1 26 THR MG 1 50 LEU HA . . 4.210 4.231 3.946 4.325 0.115 17 0 "[ . 1 . 2]" 1
372 1 26 THR MG 1 51 THR H . . 4.640 3.839 3.304 4.539 . 0 0 "[ . 1 . 2]" 1
373 1 27 VAL H 1 27 VAL HB . . 3.580 2.853 2.711 2.993 . 0 0 "[ . 1 . 2]" 1
374 1 27 VAL H 1 27 VAL MG1 . . 4.510 3.942 3.829 4.016 . 0 0 "[ . 1 . 2]" 1
375 1 27 VAL H 1 27 VAL MG2 . . 3.360 2.544 2.070 2.818 . 0 0 "[ . 1 . 2]" 1
376 1 27 VAL H 1 28 GLN H . . 5.000 4.368 4.168 4.625 . 0 0 "[ . 1 . 2]" 1
377 1 27 VAL H 1 49 ILE HB . . 4.240 3.882 3.699 4.188 . 0 0 "[ . 1 . 2]" 1
378 1 27 VAL H 1 49 ILE MG . . 5.170 4.271 3.881 4.652 . 0 0 "[ . 1 . 2]" 1
379 1 27 VAL H 1 50 LEU QD . . 4.590 3.209 2.822 3.706 . 0 0 "[ . 1 . 2]" 1
380 1 27 VAL H 1 51 THR H . . 4.900 3.805 3.267 4.742 . 0 0 "[ . 1 . 2]" 1
381 1 27 VAL H 1 51 THR MG . . 4.390 3.486 2.990 4.349 . 0 0 "[ . 1 . 2]" 1
382 1 27 VAL HA 1 27 VAL MG1 . . 3.220 2.319 2.195 2.454 . 0 0 "[ . 1 . 2]" 1
383 1 27 VAL HA 1 27 VAL MG2 . . 3.240 2.649 2.557 2.744 . 0 0 "[ . 1 . 2]" 1
384 1 27 VAL HA 1 28 GLN H . . 2.870 2.305 2.148 2.545 . 0 0 "[ . 1 . 2]" 1
385 1 27 VAL HA 1 28 GLN QG . . 4.950 3.817 2.746 4.720 . 0 0 "[ . 1 . 2]" 1
386 1 27 VAL HB 1 28 GLN H . . 4.360 3.793 3.111 4.365 0.005 20 0 "[ . 1 . 2]" 1
387 1 27 VAL HB 1 48 LEU QD . . 4.870 3.477 3.122 3.671 . 0 0 "[ . 1 . 2]" 1
388 1 27 VAL HB 1 50 LEU HA . . 4.120 3.192 2.916 3.565 . 0 0 "[ . 1 . 2]" 1
389 1 27 VAL HB 1 50 LEU QD . . 3.330 2.149 2.017 3.108 . 0 0 "[ . 1 . 2]" 1
390 1 27 VAL HB 1 50 LEU HG . . 4.960 4.593 3.274 4.998 0.038 3 0 "[ . 1 . 2]" 1
391 1 27 VAL HB 1 51 THR H . . 5.270 4.424 4.115 4.888 . 0 0 "[ . 1 . 2]" 1
392 1 27 VAL HB 1 58 TYR QE . . 3.280 2.653 2.191 3.099 . 0 0 "[ . 1 . 2]" 1
393 1 27 VAL MG1 1 28 GLN H . . 3.790 2.450 1.793 3.284 . 0 0 "[ . 1 . 2]" 1
394 1 27 VAL MG1 1 48 LEU QD . . 5.090 3.595 3.307 3.878 . 0 0 "[ . 1 . 2]" 1
395 1 27 VAL MG1 1 50 LEU QD . . 4.390 3.159 2.937 3.944 . 0 0 "[ . 1 . 2]" 1
396 1 27 VAL MG1 1 58 TYR QD . . 3.980 3.474 2.886 3.999 0.019 17 0 "[ . 1 . 2]" 1
397 1 27 VAL MG1 1 58 TYR QE . . 2.870 2.479 2.170 2.887 0.017 6 0 "[ . 1 . 2]" 1
398 1 27 VAL MG2 1 28 GLN H . . 4.410 4.233 3.984 4.474 0.064 14 0 "[ . 1 . 2]" 1
399 1 27 VAL MG2 1 48 LEU QD . . 3.390 1.983 1.876 2.114 . 0 0 "[ . 1 . 2]" 1
400 1 27 VAL MG2 1 50 LEU QD . . 3.560 2.590 2.384 3.021 . 0 0 "[ . 1 . 2]" 1
401 1 27 VAL MG2 1 58 TYR QD . . 5.070 4.932 4.424 5.187 0.117 17 0 "[ . 1 . 2]" 1
402 1 27 VAL MG2 1 58 TYR QE . . 4.010 4.037 3.770 4.122 0.112 19 0 "[ . 1 . 2]" 1
403 1 28 GLN H 1 28 GLN HB2 . . 3.570 2.778 2.245 3.763 0.193 19 0 "[ . 1 . 2]" 1
404 1 28 GLN H 1 28 GLN HB3 . . 3.820 3.520 2.758 3.778 . 0 0 "[ . 1 . 2]" 1
405 1 28 GLN H 1 28 GLN QG . . 3.430 2.675 1.904 3.514 0.084 16 0 "[ . 1 . 2]" 1
406 1 28 GLN H 1 31 ILE MD . . 4.600 4.405 3.716 4.709 0.109 17 0 "[ . 1 . 2]" 1
407 1 28 GLN H 1 31 ILE MG . . 4.590 2.469 1.840 2.959 . 0 0 "[ . 1 . 2]" 1
408 1 28 GLN H 1 58 TYR QE . . 5.500 4.121 3.276 4.618 . 0 0 "[ . 1 . 2]" 1
409 1 28 GLN HA 1 28 GLN HE21 . . 4.840 4.379 3.325 4.906 0.066 11 0 "[ . 1 . 2]" 1
410 1 28 GLN HA 1 28 GLN QG . . 3.490 2.692 2.296 3.401 . 0 0 "[ . 1 . 2]" 1
411 1 28 GLN HA 1 29 PRO HA . . 4.390 4.385 4.188 4.455 0.065 6 0 "[ . 1 . 2]" 1
412 1 28 GLN HA 1 29 PRO HD2 . . 3.280 2.599 2.415 3.000 . 0 0 "[ . 1 . 2]" 1
413 1 28 GLN HA 1 29 PRO HD3 . . 3.120 2.452 2.286 2.572 . 0 0 "[ . 1 . 2]" 1
414 1 28 GLN HA 1 29 PRO HG3 . . 4.580 4.647 4.588 4.662 0.082 18 0 "[ . 1 . 2]" 1
415 1 28 GLN HA 1 31 ILE MG . . 3.990 4.088 4.059 4.108 0.118 14 0 "[ . 1 . 2]" 1
416 1 28 GLN HA 1 51 THR H . . 4.380 2.839 2.622 3.231 . 0 0 "[ . 1 . 2]" 1
417 1 28 GLN HA 1 51 THR HA . . 4.860 4.881 4.758 4.945 0.085 12 0 "[ . 1 . 2]" 1
418 1 28 GLN HA 1 51 THR MG . . 3.470 3.089 2.169 3.594 0.124 7 0 "[ . 1 . 2]" 1
419 1 28 GLN HA 1 52 GLY H . . 4.650 4.488 3.654 4.727 0.077 18 0 "[ . 1 . 2]" 1
420 1 28 GLN HB3 1 29 PRO HD2 . . 3.480 2.372 2.031 3.370 . 0 0 "[ . 1 . 2]" 1
421 1 28 GLN HB3 1 29 PRO HD3 . . 3.790 3.601 3.360 4.224 0.434 3 0 "[ . 1 . 2]" 1
422 1 28 GLN HE21 1 51 THR MG . . 5.130 3.501 2.569 4.161 . 0 0 "[ . 1 . 2]" 1
423 1 28 GLN HE22 1 51 THR MG . . 5.080 4.722 3.788 5.192 0.112 17 0 "[ . 1 . 2]" 1
424 1 28 GLN QG 1 29 PRO HD2 . . 4.310 3.635 3.000 4.102 . 0 0 "[ . 1 . 2]" 1
425 1 28 GLN QG 1 29 PRO HD3 . . 4.690 4.433 3.769 4.790 0.100 5 0 "[ . 1 . 2]" 1
426 1 28 GLN QG 1 31 ILE MG . . 5.290 3.476 1.943 4.327 . 0 0 "[ . 1 . 2]" 1
427 1 28 GLN QG 1 51 THR MG . . 4.480 3.092 2.114 4.457 . 0 0 "[ . 1 . 2]" 1
428 1 29 PRO HA 1 30 ASN H . . 3.020 2.310 2.170 2.460 . 0 0 "[ . 1 . 2]" 1
429 1 29 PRO HA 1 30 ASN HA . . 4.610 4.430 4.281 4.551 . 0 0 "[ . 1 . 2]" 1
430 1 29 PRO HA 1 31 ILE H . . 4.750 3.975 3.535 4.677 . 0 0 "[ . 1 . 2]" 1
431 1 29 PRO HA 1 57 ALA MB . . 3.770 3.524 2.711 3.861 0.091 10 0 "[ . 1 . 2]" 1
432 1 29 PRO HA 1 58 TYR QE . . 3.880 3.098 2.810 3.346 . 0 0 "[ . 1 . 2]" 1
433 1 29 PRO QB 1 30 ASN H . . 4.060 2.702 2.423 3.074 . 0 0 "[ . 1 . 2]" 1
434 1 29 PRO QB 1 30 ASN QB . . 4.520 3.613 3.229 3.977 . 0 0 "[ . 1 . 2]" 1
435 1 29 PRO QB 1 30 ASN HD21 . . 5.280 3.016 2.347 4.040 . 0 0 "[ . 1 . 2]" 1
436 1 29 PRO QB 1 30 ASN HD22 . . 4.870 3.329 2.656 4.241 . 0 0 "[ . 1 . 2]" 1
437 1 29 PRO QB 1 57 ALA MB . . 3.710 2.020 1.894 2.158 . 0 0 "[ . 1 . 2]" 1
438 1 29 PRO QB 1 58 TYR QE . . 5.100 2.820 2.307 3.184 . 0 0 "[ . 1 . 2]" 1
439 1 29 PRO HD3 1 51 THR MG . . 5.500 4.360 3.646 4.830 . 0 0 "[ . 1 . 2]" 1
440 1 29 PRO HD3 1 52 GLY H . . 4.910 3.357 2.787 3.990 . 0 0 "[ . 1 . 2]" 1
441 1 29 PRO HG2 1 30 ASN H . . 5.010 4.558 4.241 4.941 . 0 0 "[ . 1 . 2]" 1
442 1 29 PRO HG2 1 30 ASN QB . . 4.760 4.237 3.622 4.837 0.077 4 0 "[ . 1 . 2]" 1
443 1 29 PRO HG2 1 30 ASN HD21 . . 5.500 4.001 2.874 5.552 0.052 13 0 "[ . 1 . 2]" 1
444 1 29 PRO HG2 1 30 ASN HD22 . . 5.500 4.949 3.690 5.574 0.074 10 0 "[ . 1 . 2]" 1
445 1 29 PRO HG2 1 52 GLY HA2 . . 4.460 4.243 3.965 4.524 0.064 1 0 "[ . 1 . 2]" 1
446 1 29 PRO HG2 1 52 GLY HA3 . . 4.550 4.307 3.913 4.614 0.064 13 0 "[ . 1 . 2]" 1
447 1 29 PRO HG2 1 57 ALA MB . . 4.590 4.068 3.608 4.322 . 0 0 "[ . 1 . 2]" 1
448 1 29 PRO HG3 1 52 GLY H . . 4.800 4.526 3.968 4.859 0.059 14 0 "[ . 1 . 2]" 1
449 1 29 PRO HG3 1 52 GLY HA2 . . 4.210 2.499 2.204 2.877 . 0 0 "[ . 1 . 2]" 1
450 1 29 PRO HG3 1 52 GLY HA3 . . 4.300 2.706 2.220 3.078 . 0 0 "[ . 1 . 2]" 1
451 1 29 PRO HG3 1 57 ALA MB . . 4.740 3.731 3.138 4.235 . 0 0 "[ . 1 . 2]" 1
452 1 29 PRO HG3 1 58 TYR QE . . 5.130 4.335 3.718 4.863 . 0 0 "[ . 1 . 2]" 1
453 1 30 ASN H 1 30 ASN HA . . 2.800 2.259 2.200 2.317 . 0 0 "[ . 1 . 2]" 1
454 1 30 ASN H 1 30 ASN QB . . 3.460 3.260 3.101 3.366 . 0 0 "[ . 1 . 2]" 1
455 1 30 ASN H 1 30 ASN HD21 . . 5.500 3.856 2.138 4.755 . 0 0 "[ . 1 . 2]" 1
456 1 30 ASN H 1 30 ASN HD22 . . 5.420 4.169 3.498 4.825 . 0 0 "[ . 1 . 2]" 1
457 1 30 ASN H 1 31 ILE MG . . 5.500 4.236 3.938 4.616 . 0 0 "[ . 1 . 2]" 1
458 1 30 ASN H 1 57 ALA HA . . 4.420 4.020 3.339 4.273 . 0 0 "[ . 1 . 2]" 1
459 1 30 ASN H 1 57 ALA MB . . 3.490 3.292 2.238 3.582 0.092 5 0 "[ . 1 . 2]" 1
460 1 30 ASN H 1 58 TYR QE . . 5.500 4.717 4.301 5.216 . 0 0 "[ . 1 . 2]" 1
461 1 30 ASN HA 1 30 ASN HD22 . . 4.980 4.537 3.903 4.765 . 0 0 "[ . 1 . 2]" 1
462 1 30 ASN HA 1 32 GLY H . . 4.540 3.895 3.527 4.450 . 0 0 "[ . 1 . 2]" 1
463 1 30 ASN QB 1 30 ASN HD22 . . 3.300 3.337 3.258 3.520 0.220 20 0 "[ . 1 . 2]" 1
464 1 30 ASN QB 1 31 ILE H . . 4.690 3.896 3.438 3.969 . 0 0 "[ . 1 . 2]" 1
465 1 30 ASN QB 1 57 ALA MB . . 5.120 4.408 3.804 5.040 . 0 0 "[ . 1 . 2]" 1
466 1 30 ASN HD21 1 57 ALA HA . . 5.070 4.438 2.739 5.335 0.265 7 0 "[ . 1 . 2]" 1
467 1 30 ASN HD21 1 57 ALA MB . . 4.420 3.483 2.902 4.201 . 0 0 "[ . 1 . 2]" 1
468 1 30 ASN HD22 1 57 ALA HA . . 5.500 3.185 2.323 4.145 . 0 0 "[ . 1 . 2]" 1
469 1 30 ASN HD22 1 57 ALA MB . . 5.400 2.772 2.163 3.390 . 0 0 "[ . 1 . 2]" 1
470 1 31 ILE H 1 31 ILE HB . . 3.440 3.051 2.578 3.391 . 0 0 "[ . 1 . 2]" 1
471 1 31 ILE H 1 31 ILE MG . . 3.370 2.247 1.916 2.462 . 0 0 "[ . 1 . 2]" 1
472 1 31 ILE H 1 32 GLY H . . 3.490 2.739 2.072 3.561 0.071 9 0 "[ . 1 . 2]" 1
473 1 31 ILE H 1 32 GLY HA3 . . 5.500 4.982 4.536 5.537 0.037 18 0 "[ . 1 . 2]" 1
474 1 31 ILE HA 1 31 ILE HB . . 3.010 2.419 2.297 2.576 . 0 0 "[ . 1 . 2]" 1
475 1 31 ILE HA 1 31 ILE MD . . 3.330 3.034 2.172 3.437 0.107 11 0 "[ . 1 . 2]" 1
476 1 31 ILE HA 1 31 ILE HG12 . . 4.130 3.336 2.443 3.726 . 0 0 "[ . 1 . 2]" 1
477 1 31 ILE HA 1 31 ILE HG13 . . 3.680 2.519 2.145 3.706 0.026 9 0 "[ . 1 . 2]" 1
478 1 31 ILE HA 1 31 ILE MG . . 3.100 3.196 3.170 3.210 0.110 4 0 "[ . 1 . 2]" 1
479 1 31 ILE HA 1 32 GLY H . . 3.530 2.774 1.936 3.416 . 0 0 "[ . 1 . 2]" 1
480 1 31 ILE HB 1 31 ILE MD . . 3.210 2.335 2.176 3.277 0.067 9 0 "[ . 1 . 2]" 1
481 1 31 ILE HB 1 32 GLY H . . 4.560 4.505 4.191 4.623 0.063 4 0 "[ . 1 . 2]" 1
482 1 31 ILE HG12 1 31 ILE MG . . 3.300 2.375 2.160 3.265 . 0 0 "[ . 1 . 2]" 1
483 1 31 ILE HG12 1 32 GLY H . . 5.280 5.160 4.004 5.967 0.687 3 5 "[ *+ * - 1 . *2]" 1
484 1 31 ILE MG 1 32 GLY H . . 4.010 3.800 3.058 4.135 0.125 11 0 "[ . 1 . 2]" 1
485 1 31 ILE MG 1 32 GLY HA3 . . 5.190 4.445 3.870 4.891 . 0 0 "[ . 1 . 2]" 1
486 1 31 ILE MG 1 58 TYR QD . . 4.920 4.650 3.805 5.025 0.105 18 0 "[ . 1 . 2]" 1
487 1 31 ILE MG 1 58 TYR QE . . 4.760 3.959 3.414 4.475 . 0 0 "[ . 1 . 2]" 1
488 1 32 GLY H 1 33 LEU H . . 4.360 4.283 3.893 4.437 0.077 12 0 "[ . 1 . 2]" 1
489 1 32 GLY HA2 1 33 LEU H . . 3.280 2.365 2.116 2.558 . 0 0 "[ . 1 . 2]" 1
490 1 32 GLY HA2 1 33 LEU HB3 . . 5.190 4.695 4.346 5.129 . 0 0 "[ . 1 . 2]" 1
491 1 32 GLY HA3 1 33 LEU H . . 3.240 2.809 2.537 3.169 . 0 0 "[ . 1 . 2]" 1
492 1 32 GLY HA3 1 33 LEU HB3 . . 5.500 5.042 4.844 5.235 . 0 0 "[ . 1 . 2]" 1
493 1 33 LEU H 1 33 LEU HB2 . . 3.190 2.633 2.284 3.237 0.047 11 0 "[ . 1 . 2]" 1
494 1 33 LEU H 1 33 LEU HB3 . . 3.120 2.404 2.206 2.664 . 0 0 "[ . 1 . 2]" 1
495 1 33 LEU H 1 33 LEU QD . . 4.540 3.702 2.838 3.849 . 0 0 "[ . 1 . 2]" 1
496 1 33 LEU H 1 33 LEU HG . . 4.810 4.436 4.291 4.638 . 0 0 "[ . 1 . 2]" 1
497 1 33 LEU H 1 34 LEU H . . 4.740 4.564 4.416 4.739 . 0 0 "[ . 1 . 2]" 1
498 1 33 LEU HA 1 33 LEU QD . . 3.170 2.278 2.100 3.139 . 0 0 "[ . 1 . 2]" 1
499 1 33 LEU HA 1 34 LEU H . . 2.880 2.210 1.977 2.541 . 0 0 "[ . 1 . 2]" 1
500 1 33 LEU HA 1 34 LEU HB2 . . 5.000 4.457 4.187 4.812 . 0 0 "[ . 1 . 2]" 1
501 1 33 LEU HA 1 34 LEU HG . . 4.420 4.271 3.739 4.511 0.091 17 0 "[ . 1 . 2]" 1
502 1 33 LEU HA 1 59 SER H . . 5.010 4.385 3.893 4.971 . 0 0 "[ . 1 . 2]" 1
503 1 33 LEU HA 1 59 SER HB2 . . 3.990 2.566 2.000 3.791 . 0 0 "[ . 1 . 2]" 1
504 1 33 LEU HA 1 59 SER HB3 . . 4.060 3.334 2.360 4.067 0.007 13 0 "[ . 1 . 2]" 1
505 1 33 LEU HB2 1 33 LEU QD . . 3.250 2.166 2.099 2.353 . 0 0 "[ . 1 . 2]" 1
506 1 33 LEU HB2 1 34 LEU H . . 4.670 4.134 3.415 4.312 . 0 0 "[ . 1 . 2]" 1
507 1 33 LEU HB3 1 34 LEU H . . 4.450 4.112 3.606 4.362 . 0 0 "[ . 1 . 2]" 1
508 1 33 LEU QD 1 34 LEU H . . 3.370 2.296 1.776 3.107 . 0 0 "[ . 1 . 2]" 1
509 1 33 LEU QD 1 34 LEU HB2 . . 4.550 3.789 3.147 4.398 . 0 0 "[ . 1 . 2]" 1
510 1 33 LEU QD 1 35 TYR H . . 4.900 3.655 2.654 4.298 . 0 0 "[ . 1 . 2]" 1
511 1 33 LEU QD 1 35 TYR HA . . 4.040 3.032 1.939 3.498 . 0 0 "[ . 1 . 2]" 1
512 1 33 LEU QD 1 35 TYR HB2 . . 4.370 3.562 2.928 4.316 . 0 0 "[ . 1 . 2]" 1
513 1 33 LEU QD 1 35 TYR HB3 . . 4.330 2.546 1.879 3.192 . 0 0 "[ . 1 . 2]" 1
514 1 33 LEU QD 1 35 TYR QD . . 4.200 3.403 2.008 4.131 . 0 0 "[ . 1 . 2]" 1
515 1 33 LEU QD 1 36 ASP H . . 5.400 4.632 3.752 5.039 . 0 0 "[ . 1 . 2]" 1
516 1 33 LEU QD 1 59 SER HB2 . . 3.810 2.560 2.046 3.601 . 0 0 "[ . 1 . 2]" 1
517 1 33 LEU QD 1 59 SER HB3 . . 3.920 2.297 2.016 3.216 . 0 0 "[ . 1 . 2]" 1
518 1 33 LEU QD 1 60 ALA H . . 4.250 3.140 2.483 3.767 . 0 0 "[ . 1 . 2]" 1
519 1 33 LEU QD 1 60 ALA HA . . 5.500 3.303 1.956 4.634 . 0 0 "[ . 1 . 2]" 1
520 1 33 LEU QD 1 61 GLY H . . 5.380 3.469 2.429 4.687 . 0 0 "[ . 1 . 2]" 1
521 1 33 LEU HG 1 34 LEU H . . 4.230 3.064 2.110 4.330 0.100 1 0 "[ . 1 . 2]" 1
522 1 33 LEU HG 1 35 TYR H . . 5.040 3.477 2.668 5.012 . 0 0 "[ . 1 . 2]" 1
523 1 33 LEU HG 1 35 TYR HA . . 3.870 3.304 2.682 3.952 0.082 13 0 "[ . 1 . 2]" 1
524 1 33 LEU HG 1 35 TYR HB2 . . 4.950 4.379 3.672 5.045 0.095 11 0 "[ . 1 . 2]" 1
525 1 33 LEU HG 1 35 TYR HB3 . . 4.350 3.002 2.355 3.945 . 0 0 "[ . 1 . 2]" 1
526 1 33 LEU HG 1 60 ALA HA . . 4.710 4.672 4.035 4.809 0.099 13 0 "[ . 1 . 2]" 1
527 1 34 LEU H 1 34 LEU HB2 . . 3.160 2.370 2.149 2.626 . 0 0 "[ . 1 . 2]" 1
528 1 34 LEU H 1 34 LEU HB3 . . 4.000 3.588 3.470 3.755 . 0 0 "[ . 1 . 2]" 1
529 1 34 LEU H 1 34 LEU QD . . 3.910 3.096 2.020 3.610 . 0 0 "[ . 1 . 2]" 1
530 1 34 LEU H 1 34 LEU HG . . 3.700 3.007 2.645 3.254 . 0 0 "[ . 1 . 2]" 1
531 1 34 LEU H 1 35 TYR H . . 4.850 3.970 3.552 4.396 . 0 0 "[ . 1 . 2]" 1
532 1 34 LEU H 1 59 SER H . . 5.150 4.188 3.755 5.232 0.082 6 0 "[ . 1 . 2]" 1
533 1 34 LEU H 1 59 SER HB2 . . 4.740 3.044 1.694 4.575 . 0 0 "[ . 1 . 2]" 1
534 1 34 LEU H 1 59 SER HB3 . . 4.490 3.789 2.651 4.805 0.315 13 0 "[ . 1 . 2]" 1
535 1 34 LEU H 1 60 ALA H . . 5.080 4.220 2.723 4.733 . 0 0 "[ . 1 . 2]" 1
536 1 34 LEU H 1 60 ALA HA . . 3.830 3.144 2.431 3.766 . 0 0 "[ . 1 . 2]" 1
537 1 34 LEU H 1 60 ALA MB . . 4.780 4.421 3.639 4.866 0.086 5 0 "[ . 1 . 2]" 1
538 1 34 LEU H 1 61 GLY H . . 5.200 4.769 4.015 5.280 0.080 6 0 "[ . 1 . 2]" 1
539 1 34 LEU HA 1 34 LEU QD . . 3.150 2.465 2.144 2.969 . 0 0 "[ . 1 . 2]" 1
540 1 34 LEU HA 1 34 LEU HG . . 3.520 2.628 2.145 2.995 . 0 0 "[ . 1 . 2]" 1
541 1 34 LEU HA 1 35 TYR H . . 3.030 2.330 2.179 2.473 . 0 0 "[ . 1 . 2]" 1
542 1 34 LEU HA 1 35 TYR QD . . 4.390 4.113 3.572 4.469 0.079 10 0 "[ . 1 . 2]" 1
543 1 34 LEU HA 1 38 MET ME . . 3.980 3.438 2.335 4.072 0.092 2 0 "[ . 1 . 2]" 1
544 1 34 LEU HA 1 38 MET HG3 . . 4.910 3.539 2.108 5.009 0.099 18 0 "[ . 1 . 2]" 1
545 1 34 LEU HB2 1 35 TYR H . . 5.040 4.537 4.337 4.656 . 0 0 "[ . 1 . 2]" 1
546 1 34 LEU HB2 1 59 SER H . . 4.850 4.389 3.746 4.904 0.054 20 0 "[ . 1 . 2]" 1
547 1 34 LEU HB2 1 60 ALA H . . 5.420 4.262 2.825 4.909 . 0 0 "[ . 1 . 2]" 1
548 1 34 LEU HB2 1 60 ALA HA . . 4.240 2.149 1.943 2.471 . 0 0 "[ . 1 . 2]" 1
549 1 34 LEU HB2 1 60 ALA MB . . 3.290 2.977 2.101 3.404 0.114 9 0 "[ . 1 . 2]" 1
550 1 34 LEU HB3 1 35 TYR H . . 4.500 4.066 3.448 4.351 . 0 0 "[ . 1 . 2]" 1
551 1 34 LEU QD 1 35 TYR H . . 5.440 4.173 3.514 4.513 . 0 0 "[ . 1 . 2]" 1
552 1 34 LEU QD 1 38 MET ME . . 3.380 2.581 1.963 3.336 . 0 0 "[ . 1 . 2]" 1
553 1 34 LEU QD 1 48 LEU QD . . 4.420 3.003 2.274 3.376 . 0 0 "[ . 1 . 2]" 1
554 1 34 LEU QD 1 50 LEU QD . . 4.300 3.238 2.515 3.630 . 0 0 "[ . 1 . 2]" 1
555 1 34 LEU QD 1 58 TYR HB3 . . 4.710 3.072 2.708 4.033 . 0 0 "[ . 1 . 2]" 1
556 1 34 LEU QD 1 58 TYR QD . . 3.980 2.672 2.297 3.277 . 0 0 "[ . 1 . 2]" 1
557 1 34 LEU QD 1 59 SER H . . 5.110 2.841 2.361 3.672 . 0 0 "[ . 1 . 2]" 1
558 1 34 LEU QD 1 60 ALA HA . . 4.100 3.449 3.143 3.800 . 0 0 "[ . 1 . 2]" 1
559 1 34 LEU QD 1 60 ALA MB . . 3.320 3.036 2.246 3.382 0.062 15 0 "[ . 1 . 2]" 1
560 1 34 LEU QD 1 61 GLY H . . 5.500 5.104 4.659 5.428 . 0 0 "[ . 1 . 2]" 1
561 1 34 LEU QD 1 64 LEU QD . . 3.860 1.996 1.804 2.626 . 0 0 "[ . 1 . 2]" 1
562 1 34 LEU QD 1 88 TRP HH2 . . 3.410 3.061 2.340 3.452 0.042 5 0 "[ . 1 . 2]" 1
563 1 34 LEU QD 1 88 TRP HZ2 . . 3.830 3.394 2.483 3.893 0.063 16 0 "[ . 1 . 2]" 1
564 1 34 LEU HG 1 60 ALA HA . . 4.680 4.725 4.521 4.770 0.090 6 0 "[ . 1 . 2]" 1
565 1 35 TYR H 1 35 TYR HB2 . . 3.950 3.640 3.585 3.812 . 0 0 "[ . 1 . 2]" 1
566 1 35 TYR H 1 35 TYR HB3 . . 3.880 2.786 2.367 3.392 . 0 0 "[ . 1 . 2]" 1
567 1 35 TYR H 1 35 TYR QD . . 2.970 2.502 2.065 3.019 0.049 9 0 "[ . 1 . 2]" 1
568 1 35 TYR H 1 36 ASP H . . 4.840 4.566 4.361 4.701 . 0 0 "[ . 1 . 2]" 1
569 1 35 TYR H 1 38 MET HB2 . . 5.060 3.820 2.816 5.077 0.017 3 0 "[ . 1 . 2]" 1
570 1 35 TYR H 1 38 MET ME . . 5.500 4.348 3.706 5.227 . 0 0 "[ . 1 . 2]" 1
571 1 35 TYR HA 1 35 TYR QD . . 3.790 3.773 3.636 3.858 0.068 1 0 "[ . 1 . 2]" 1
572 1 35 TYR HA 1 36 ASP H . . 2.920 2.583 2.372 2.964 0.044 1 0 "[ . 1 . 2]" 1
573 1 35 TYR HA 1 61 GLY H . . 5.460 3.943 2.603 5.523 0.063 1 0 "[ . 1 . 2]" 1
574 1 35 TYR HB2 1 36 ASP H . . 3.430 2.285 1.892 2.538 . 0 0 "[ . 1 . 2]" 1
575 1 35 TYR HB3 1 36 ASP H . . 3.740 3.680 3.291 3.814 0.074 18 0 "[ . 1 . 2]" 1
576 1 35 TYR QD 1 36 ASP H . . 3.750 3.053 2.341 3.704 . 0 0 "[ . 1 . 2]" 1
577 1 35 TYR QD 1 38 MET H . . 4.460 3.756 3.126 4.552 0.092 1 0 "[ . 1 . 2]" 1
578 1 35 TYR QD 1 38 MET HA . . 4.380 4.176 3.655 4.485 0.105 5 0 "[ . 1 . 2]" 1
579 1 35 TYR QD 1 38 MET HG2 . . 4.750 3.954 2.581 4.847 0.097 1 0 "[ . 1 . 2]" 1
580 1 35 TYR QD 1 38 MET HG3 . . 4.800 3.485 2.567 4.839 0.039 18 0 "[ . 1 . 2]" 1
581 1 35 TYR QE 1 38 MET H . . 4.480 4.081 3.315 4.552 0.072 5 0 "[ . 1 . 2]" 1
582 1 35 TYR QE 1 38 MET HA . . 3.440 3.061 2.510 3.524 0.084 5 0 "[ . 1 . 2]" 1
583 1 36 ASP H 1 36 ASP HB2 . . 3.730 3.460 2.468 3.680 . 0 0 "[ . 1 . 2]" 1
584 1 36 ASP H 1 36 ASP HB3 . . 3.340 2.593 2.285 3.085 . 0 0 "[ . 1 . 2]" 1
585 1 36 ASP H 1 37 GLY H . . 4.500 4.488 4.195 4.573 0.073 18 0 "[ . 1 . 2]" 1
586 1 36 ASP HA 1 37 GLY H . . 3.000 2.218 2.084 3.007 0.007 3 0 "[ . 1 . 2]" 1
587 1 36 ASP HA 1 38 MET H . . 4.250 3.617 3.203 4.320 0.070 3 0 "[ . 1 . 2]" 1
588 1 36 ASP HA 1 63 GLY HA3 . . 4.390 3.195 2.082 4.277 . 0 0 "[ . 1 . 2]" 1
589 1 36 ASP HB2 1 37 GLY H . . 4.290 3.250 2.408 4.370 0.080 13 0 "[ . 1 . 2]" 1
590 1 36 ASP HB2 1 63 GLY HA3 . . 3.920 3.236 2.349 3.974 0.054 12 0 "[ . 1 . 2]" 1
591 1 37 GLY H 1 63 GLY HA3 . . 4.980 4.438 2.975 5.050 0.070 6 0 "[ . 1 . 2]" 1
592 1 37 GLY H 1 66 ASP H . . 4.260 3.511 3.016 4.039 . 0 0 "[ . 1 . 2]" 1
593 1 37 GLY H 1 66 ASP QB . . 3.640 2.086 1.625 2.839 . 0 0 "[ . 1 . 2]" 1
594 1 37 GLY HA2 1 40 SER H . . 4.460 3.552 3.155 3.938 . 0 0 "[ . 1 . 2]" 1
595 1 37 GLY HA2 1 66 ASP QB . . 3.570 2.798 2.155 3.413 . 0 0 "[ . 1 . 2]" 1
596 1 37 GLY HA3 1 66 ASP QB . . 3.960 3.784 2.334 4.041 0.081 19 0 "[ . 1 . 2]" 1
597 1 38 MET H 1 38 MET HB2 . . 3.480 2.180 1.955 3.551 0.071 18 0 "[ . 1 . 2]" 1
598 1 38 MET H 1 38 MET HB3 . . 3.500 3.167 2.431 3.534 0.034 10 0 "[ . 1 . 2]" 1
599 1 38 MET H 1 38 MET HG2 . . 4.260 3.834 2.504 4.344 0.084 6 0 "[ . 1 . 2]" 1
600 1 38 MET H 1 38 MET HG3 . . 3.800 3.647 2.640 4.256 0.456 9 0 "[ . 1 . 2]" 1
601 1 38 MET H 1 39 PHE H . . 3.600 2.811 2.321 3.075 . 0 0 "[ . 1 . 2]" 1
602 1 38 MET H 1 40 SER H . . 4.580 4.412 4.118 4.647 0.067 19 0 "[ . 1 . 2]" 1
603 1 38 MET HA 1 38 MET ME . . 5.030 4.141 3.608 4.677 . 0 0 "[ . 1 . 2]" 1
604 1 38 MET HA 1 38 MET HG2 . . 3.910 2.399 2.153 3.820 . 0 0 "[ . 1 . 2]" 1
605 1 38 MET HB2 1 39 PHE H . . 4.980 3.369 2.562 4.283 . 0 0 "[ . 1 . 2]" 1
606 1 38 MET HB2 1 39 PHE QD . . 4.850 4.021 2.852 4.891 0.041 13 0 "[ . 1 . 2]" 1
607 1 38 MET HB3 1 38 MET ME . . 3.190 2.557 2.088 3.291 0.101 12 0 "[ . 1 . 2]" 1
608 1 38 MET HB3 1 39 PHE QD . . 5.120 3.487 3.048 5.159 0.039 18 0 "[ . 1 . 2]" 1
609 1 38 MET HG2 1 39 PHE H . . 5.090 4.843 3.383 5.150 0.060 19 0 "[ . 1 . 2]" 1
610 1 38 MET HG2 1 39 PHE QD . . 5.500 5.313 3.005 6.169 0.669 9 1 "[ . +1 . 2]" 1
611 1 39 PHE H 1 39 PHE HB2 . . 3.810 2.575 2.450 2.822 . 0 0 "[ . 1 . 2]" 1
612 1 39 PHE H 1 39 PHE HB3 . . 4.120 3.702 3.598 3.801 . 0 0 "[ . 1 . 2]" 1
613 1 39 PHE H 1 39 PHE QD . . 3.960 3.118 2.808 3.411 . 0 0 "[ . 1 . 2]" 1
614 1 39 PHE H 1 40 SER H . . 3.120 2.602 2.316 3.044 . 0 0 "[ . 1 . 2]" 1
615 1 39 PHE HA 1 39 PHE QD . . 3.170 2.507 2.296 2.795 . 0 0 "[ . 1 . 2]" 1
616 1 39 PHE HA 1 39 PHE QE . . 5.070 4.568 4.388 4.833 . 0 0 "[ . 1 . 2]" 1
617 1 39 PHE HA 1 45 LEU QD . . 4.930 4.089 3.632 4.460 . 0 0 "[ . 1 . 2]" 1
618 1 39 PHE HB2 1 40 SER H . . 4.850 3.974 3.641 4.214 . 0 0 "[ . 1 . 2]" 1
619 1 39 PHE HB2 1 45 LEU QD . . 4.430 3.615 2.892 3.986 . 0 0 "[ . 1 . 2]" 1
620 1 39 PHE HB2 1 68 ALA MB . . 3.760 2.659 2.121 3.534 . 0 0 "[ . 1 . 2]" 1
621 1 39 PHE HB3 1 40 SER H . . 4.950 4.516 4.355 4.584 . 0 0 "[ . 1 . 2]" 1
622 1 39 PHE HB3 1 45 LEU QD . . 3.930 2.532 2.139 2.936 . 0 0 "[ . 1 . 2]" 1
623 1 39 PHE HB3 1 68 ALA MB . . 4.280 2.625 2.151 3.358 . 0 0 "[ . 1 . 2]" 1
624 1 39 PHE HB3 1 70 PHE QE . . 4.580 3.706 3.005 4.475 . 0 0 "[ . 1 . 2]" 1
625 1 39 PHE QD 1 45 LEU QD . . 3.480 2.935 2.545 3.560 0.080 17 0 "[ . 1 . 2]" 1
626 1 39 PHE QD 1 64 LEU QD . . 3.810 3.747 3.072 3.883 0.073 4 0 "[ . 1 . 2]" 1
627 1 39 PHE QD 1 65 ARG HA . . 4.540 2.521 2.024 2.990 . 0 0 "[ . 1 . 2]" 1
628 1 39 PHE QD 1 65 ARG QB . . 4.740 3.990 2.859 4.559 . 0 0 "[ . 1 . 2]" 1
629 1 39 PHE QD 1 68 ALA MB . . 5.140 3.763 3.208 4.625 . 0 0 "[ . 1 . 2]" 1
630 1 39 PHE QD 1 70 PHE QE . . 2.830 2.665 2.151 2.940 0.110 4 0 "[ . 1 . 2]" 1
631 1 39 PHE QD 1 70 PHE HZ . . 4.080 3.627 2.989 4.144 0.064 5 0 "[ . 1 . 2]" 1
632 1 39 PHE QE 1 64 LEU QD . . 4.240 2.433 2.045 2.762 . 0 0 "[ . 1 . 2]" 1
633 1 39 PHE QE 1 65 ARG HA . . 3.810 3.840 3.286 3.912 0.102 16 0 "[ . 1 . 2]" 1
634 1 40 SER H 1 40 SER QB . . 2.900 2.253 2.111 2.646 . 0 0 "[ . 1 . 2]" 1
635 1 40 SER H 1 41 GLY H . . 4.820 4.407 4.156 4.548 . 0 0 "[ . 1 . 2]" 1
636 1 40 SER H 1 68 ALA MB . . 5.500 5.052 4.473 5.563 0.063 2 0 "[ . 1 . 2]" 1
637 1 40 SER HA 1 41 GLY H . . 2.940 2.164 2.074 2.225 . 0 0 "[ . 1 . 2]" 1
638 1 40 SER HA 1 42 CYS H . . 3.770 3.713 3.438 3.829 0.059 19 0 "[ . 1 . 2]" 1
639 1 40 SER HA 1 67 GLY HA2 . . 3.850 3.402 2.597 3.914 0.064 9 0 "[ . 1 . 2]" 1
640 1 40 SER HA 1 68 ALA H . . 4.790 4.554 3.997 4.860 0.070 6 0 "[ . 1 . 2]" 1
641 1 40 SER HA 1 68 ALA MB . . 4.630 4.190 3.592 4.687 0.057 5 0 "[ . 1 . 2]" 1
642 1 40 SER QB 1 41 GLY H . . 4.470 3.848 3.310 4.039 . 0 0 "[ . 1 . 2]" 1
643 1 41 GLY H 1 42 CYS H . . 3.300 2.395 2.086 2.778 . 0 0 "[ . 1 . 2]" 1
644 1 41 GLY H 1 42 CYS HA . . 5.380 5.067 4.768 5.394 0.014 16 0 "[ . 1 . 2]" 1
645 1 41 GLY H 1 42 CYS HB2 . . 5.500 4.800 4.200 6.018 0.518 3 1 "[ + . 1 . 2]" 1
646 1 41 GLY H 1 43 THR MG . . 5.500 4.352 3.635 5.371 . 0 0 "[ . 1 . 2]" 1
647 1 41 GLY H 1 67 GLY HA3 . . 4.030 3.583 3.128 4.013 . 0 0 "[ . 1 . 2]" 1
648 1 41 GLY H 1 68 ALA H . . 5.440 5.257 4.913 5.522 0.082 3 0 "[ . 1 . 2]" 1
649 1 41 GLY H 1 68 ALA HA . . 4.980 4.653 4.150 5.053 0.073 9 0 "[ . 1 . 2]" 1
650 1 41 GLY H 1 68 ALA MB . . 4.540 4.011 3.306 4.638 0.098 1 0 "[ . 1 . 2]" 1
651 1 41 GLY HA2 1 43 THR H . . 4.770 3.994 3.635 4.654 . 0 0 "[ . 1 . 2]" 1
652 1 41 GLY HA2 1 43 THR MG . . 4.670 2.842 2.254 3.678 . 0 0 "[ . 1 . 2]" 1
653 1 41 GLY HA3 1 43 THR MG . . 5.070 3.874 3.210 4.283 . 0 0 "[ . 1 . 2]" 1
654 1 42 CYS H 1 42 CYS HB2 . . 3.250 2.656 2.369 3.605 0.355 3 0 "[ . 1 . 2]" 1
655 1 42 CYS H 1 42 CYS HB3 . . 3.810 3.490 2.654 3.688 . 0 0 "[ . 1 . 2]" 1
656 1 42 CYS H 1 43 THR H . . 4.550 3.848 3.691 4.160 . 0 0 "[ . 1 . 2]" 1
657 1 42 CYS H 1 45 LEU HB3 . . 5.470 5.358 4.609 6.377 0.907 5 5 "[ + * 1 ** - 2]" 1
658 1 42 CYS H 1 45 LEU QD . . 5.480 4.469 4.118 4.795 . 0 0 "[ . 1 . 2]" 1
659 1 42 CYS H 1 68 ALA HA . . 5.420 4.764 4.196 5.474 0.054 19 0 "[ . 1 . 2]" 1
660 1 42 CYS H 1 68 ALA MB . . 4.060 3.315 2.670 4.143 0.083 9 0 "[ . 1 . 2]" 1
661 1 42 CYS HA 1 43 THR H . . 3.030 2.471 2.268 2.661 . 0 0 "[ . 1 . 2]" 1
662 1 42 CYS HA 1 45 LEU QD . . 4.490 4.434 4.266 4.503 0.013 19 0 "[ . 1 . 2]" 1
663 1 42 CYS HB2 1 43 THR H . . 4.810 4.481 4.192 4.583 . 0 0 "[ . 1 . 2]" 1
664 1 42 CYS HB2 1 45 LEU H . . 4.500 4.102 2.847 4.568 0.068 16 0 "[ . 1 . 2]" 1
665 1 42 CYS HB2 1 45 LEU HB2 . . 4.030 2.903 2.035 3.751 . 0 0 "[ . 1 . 2]" 1
666 1 42 CYS HB2 1 45 LEU HB3 . . 4.020 3.036 2.081 4.082 0.062 5 0 "[ . 1 . 2]" 1
667 1 42 CYS HB2 1 45 LEU QD . . 4.320 2.522 2.108 2.872 . 0 0 "[ . 1 . 2]" 1
668 1 42 CYS HB2 1 68 ALA MB . . 4.240 2.760 2.011 4.503 0.263 3 0 "[ . 1 . 2]" 1
669 1 42 CYS HB3 1 43 THR H . . 4.680 4.362 4.020 4.706 0.026 3 0 "[ . 1 . 2]" 1
670 1 42 CYS HB3 1 44 ALA H . . 5.370 4.179 3.516 5.090 . 0 0 "[ . 1 . 2]" 1
671 1 42 CYS HB3 1 45 LEU H . . 4.300 3.940 3.382 4.586 0.286 3 0 "[ . 1 . 2]" 1
672 1 42 CYS HB3 1 45 LEU HB2 . . 3.910 2.361 2.017 3.463 . 0 0 "[ . 1 . 2]" 1
673 1 42 CYS HB3 1 45 LEU HB3 . . 3.620 3.208 2.104 3.969 0.349 13 0 "[ . 1 . 2]" 1
674 1 42 CYS HB3 1 45 LEU QD . . 4.290 2.546 2.299 2.848 . 0 0 "[ . 1 . 2]" 1
675 1 43 THR H 1 43 THR MG . . 3.160 2.282 2.042 2.697 . 0 0 "[ . 1 . 2]" 1
676 1 43 THR H 1 44 ALA H . . 3.640 2.957 2.677 3.294 . 0 0 "[ . 1 . 2]" 1
677 1 43 THR H 1 44 ALA MB . . 5.310 4.648 4.403 5.019 . 0 0 "[ . 1 . 2]" 1
678 1 43 THR H 1 45 LEU H . . 4.830 4.710 4.158 4.919 0.089 20 0 "[ . 1 . 2]" 1
679 1 43 THR HA 1 43 THR HB . . 2.960 2.561 2.362 2.671 . 0 0 "[ . 1 . 2]" 1
680 1 43 THR HA 1 43 THR MG . . 3.040 2.297 2.202 2.392 . 0 0 "[ . 1 . 2]" 1
681 1 43 THR HA 1 45 LEU H . . 4.500 3.997 3.600 4.476 . 0 0 "[ . 1 . 2]" 1
682 1 43 THR HB 1 44 ALA H . . 5.200 4.094 3.219 4.486 . 0 0 "[ . 1 . 2]" 1
683 1 43 THR MG 1 44 ALA H . . 5.150 4.315 3.936 4.503 . 0 0 "[ . 1 . 2]" 1
684 1 44 ALA H 1 44 ALA MB . . 3.240 2.526 2.198 2.787 . 0 0 "[ . 1 . 2]" 1
685 1 44 ALA H 1 45 LEU H . . 3.060 2.630 1.925 3.149 0.089 18 0 "[ . 1 . 2]" 1
686 1 44 ALA H 1 45 LEU HB2 . . 5.010 4.133 3.526 4.894 . 0 0 "[ . 1 . 2]" 1
687 1 44 ALA MB 1 45 LEU H . . 3.970 3.632 3.328 3.805 . 0 0 "[ . 1 . 2]" 1
688 1 44 ALA MB 1 46 GLU QG . . 5.310 4.327 3.655 4.984 . 0 0 "[ . 1 . 2]" 1
689 1 45 LEU H 1 45 LEU HB2 . . 3.350 2.761 2.198 3.404 0.054 19 0 "[ . 1 . 2]" 1
690 1 45 LEU H 1 45 LEU HB3 . . 3.260 2.594 2.279 2.979 . 0 0 "[ . 1 . 2]" 1
691 1 45 LEU H 1 45 LEU QD . . 4.890 3.839 3.552 4.020 . 0 0 "[ . 1 . 2]" 1
692 1 45 LEU H 1 45 LEU HG . . 5.340 4.320 3.939 4.995 . 0 0 "[ . 1 . 2]" 1
693 1 45 LEU H 1 46 GLU H . . 4.930 4.362 4.054 4.591 . 0 0 "[ . 1 . 2]" 1
694 1 45 LEU HA 1 45 LEU QD . . 3.170 2.357 2.133 2.619 . 0 0 "[ . 1 . 2]" 1
695 1 45 LEU HA 1 46 GLU H . . 2.910 2.206 2.114 2.319 . 0 0 "[ . 1 . 2]" 1
696 1 45 LEU HA 1 46 GLU QG . . 4.970 3.842 3.446 4.170 . 0 0 "[ . 1 . 2]" 1
697 1 45 LEU HA 1 47 LYS H . . 4.090 3.678 3.322 3.936 . 0 0 "[ . 1 . 2]" 1
698 1 45 LEU HB2 1 46 GLU H . . 4.780 4.437 4.182 4.635 . 0 0 "[ . 1 . 2]" 1
699 1 45 LEU HB3 1 45 LEU HG . . 2.770 2.681 2.433 3.003 0.233 16 0 "[ . 1 . 2]" 1
700 1 45 LEU HB3 1 46 GLU H . . 4.690 4.339 3.906 4.518 . 0 0 "[ . 1 . 2]" 1
701 1 45 LEU QD 1 46 GLU H . . 3.460 2.586 2.140 3.086 . 0 0 "[ . 1 . 2]" 1
702 1 45 LEU QD 1 47 LYS H . . 3.510 2.380 2.073 2.799 . 0 0 "[ . 1 . 2]" 1
703 1 45 LEU QD 1 70 PHE HB2 . . 4.870 2.956 1.823 4.094 . 0 0 "[ . 1 . 2]" 1
704 1 45 LEU QD 1 70 PHE HB3 . . 4.240 2.906 1.869 3.681 . 0 0 "[ . 1 . 2]" 1
705 1 45 LEU QD 1 70 PHE QD . . 3.260 2.390 2.060 2.871 . 0 0 "[ . 1 . 2]" 1
706 1 45 LEU HG 1 46 GLU H . . 4.660 3.798 3.368 4.669 0.009 19 0 "[ . 1 . 2]" 1
707 1 45 LEU HG 1 47 LYS H . . 4.720 4.013 3.292 4.597 . 0 0 "[ . 1 . 2]" 1
708 1 45 LEU HG 1 70 PHE HB2 . . 3.930 3.837 3.354 4.054 0.124 15 0 "[ . 1 . 2]" 1
709 1 45 LEU HG 1 70 PHE HB3 . . 3.740 3.191 2.330 3.836 0.096 15 0 "[ . 1 . 2]" 1
710 1 45 LEU HG 1 70 PHE QD . . 4.690 3.458 2.332 4.652 . 0 0 "[ . 1 . 2]" 1
711 1 46 GLU H 1 46 GLU HB2 . . 3.710 3.111 2.547 3.784 0.074 12 0 "[ . 1 . 2]" 1
712 1 46 GLU H 1 46 GLU HB3 . . 4.100 3.669 3.029 3.974 . 0 0 "[ . 1 . 2]" 1
713 1 46 GLU H 1 46 GLU QG . . 3.850 2.738 2.099 3.355 . 0 0 "[ . 1 . 2]" 1
714 1 46 GLU H 1 47 LYS H . . 3.180 2.076 1.825 2.453 . 0 0 "[ . 1 . 2]" 1
715 1 46 GLU HA 1 46 GLU QG . . 3.610 2.696 2.209 3.346 . 0 0 "[ . 1 . 2]" 1
716 1 46 GLU HA 1 70 PHE HB3 . . 3.970 3.106 2.226 4.042 0.072 13 0 "[ . 1 . 2]" 1
717 1 46 GLU HA 1 71 LEU H . . 4.540 3.648 3.117 4.217 . 0 0 "[ . 1 . 2]" 1
718 1 46 GLU HB2 1 47 LYS H . . 4.500 3.793 3.125 4.326 . 0 0 "[ . 1 . 2]" 1
719 1 46 GLU HB2 1 47 LYS QG . . 4.440 3.912 3.499 4.235 . 0 0 "[ . 1 . 2]" 1
720 1 47 LYS H 1 47 LYS HB3 . . 3.960 3.618 3.297 3.836 . 0 0 "[ . 1 . 2]" 1
721 1 47 LYS H 1 47 LYS QG . . 4.690 3.589 3.152 3.982 . 0 0 "[ . 1 . 2]" 1
722 1 47 LYS H 1 48 LEU H . . 4.820 4.364 4.169 4.511 . 0 0 "[ . 1 . 2]" 1
723 1 47 LYS H 1 71 LEU H . . 5.070 4.390 3.583 5.133 0.063 9 0 "[ . 1 . 2]" 1
724 1 47 LYS HA 1 47 LYS HD2 . . 5.080 4.315 2.751 4.765 . 0 0 "[ . 1 . 2]" 1
725 1 47 LYS HA 1 47 LYS QG . . 3.760 2.270 2.107 2.611 . 0 0 "[ . 1 . 2]" 1
726 1 47 LYS HA 1 48 LEU H . . 2.890 2.178 2.065 2.279 . 0 0 "[ . 1 . 2]" 1
727 1 47 LYS HA 1 48 LEU HB2 . . 5.010 4.401 4.194 4.610 . 0 0 "[ . 1 . 2]" 1
728 1 47 LYS HA 1 70 PHE HB2 . . 3.810 3.480 2.655 3.896 0.086 6 0 "[ . 1 . 2]" 1
729 1 47 LYS HA 1 70 PHE QD . . 4.510 4.299 3.943 4.592 0.082 8 0 "[ . 1 . 2]" 1
730 1 47 LYS HA 1 71 LEU H . . 3.610 2.898 2.439 3.635 0.025 9 0 "[ . 1 . 2]" 1
731 1 47 LYS HA 1 71 LEU HB2 . . 4.630 3.837 2.428 4.695 0.065 20 0 "[ . 1 . 2]" 1
732 1 47 LYS HB2 1 48 LEU H . . 4.470 4.117 3.769 4.532 0.062 9 0 "[ . 1 . 2]" 1
733 1 47 LYS HB2 1 49 ILE MD . . 5.080 3.917 3.075 5.182 0.102 5 0 "[ . 1 . 2]" 1
734 1 47 LYS HB3 1 47 LYS HE3 . . 5.140 4.311 3.794 4.773 . 0 0 "[ . 1 . 2]" 1
735 1 47 LYS HB3 1 48 LEU H . . 4.440 2.923 2.433 3.727 . 0 0 "[ . 1 . 2]" 1
736 1 47 LYS HB3 1 49 ILE MD . . 5.110 2.847 2.418 3.978 . 0 0 "[ . 1 . 2]" 1
737 1 47 LYS HD2 1 49 ILE MD . . 4.580 3.412 2.616 4.660 0.080 3 0 "[ . 1 . 2]" 1
738 1 47 LYS HD3 1 48 LEU H . . 4.150 3.813 2.764 4.230 0.080 6 0 "[ . 1 . 2]" 1
739 1 47 LYS HD3 1 49 ILE MD . . 4.630 3.195 2.396 4.661 0.031 5 0 "[ . 1 . 2]" 1
740 1 47 LYS HD3 1 49 ILE HG13 . . 4.140 3.593 2.885 4.425 0.285 7 0 "[ . 1 . 2]" 1
741 1 47 LYS HE3 1 47 LYS QG . . 3.540 2.549 2.092 3.367 . 0 0 "[ . 1 . 2]" 1
742 1 47 LYS HE3 1 49 ILE MD . . 4.950 4.942 3.291 5.814 0.864 19 4 "[ . * 1 - . +*]" 1
743 1 47 LYS HE3 1 71 LEU QD . . 4.510 4.054 1.990 5.402 0.892 8 2 "[ . + 1 -. 2]" 1
744 1 47 LYS QG 1 48 LEU H . . 5.290 3.640 3.363 4.149 . 0 0 "[ . 1 . 2]" 1
745 1 48 LEU H 1 48 LEU HB2 . . 3.810 3.178 2.864 3.402 . 0 0 "[ . 1 . 2]" 1
746 1 48 LEU H 1 48 LEU HB3 . . 3.530 2.758 2.516 3.061 . 0 0 "[ . 1 . 2]" 1
747 1 48 LEU H 1 48 LEU QD . . 4.970 3.953 3.787 4.116 . 0 0 "[ . 1 . 2]" 1
748 1 48 LEU H 1 48 LEU HG . . 4.880 4.540 4.383 4.940 0.060 8 0 "[ . 1 . 2]" 1
749 1 48 LEU H 1 49 ILE H . . 5.410 4.149 3.699 4.405 . 0 0 "[ . 1 . 2]" 1
750 1 48 LEU H 1 49 ILE HA . . 4.920 4.540 4.181 4.839 . 0 0 "[ . 1 . 2]" 1
751 1 48 LEU H 1 70 PHE QD . . 4.380 3.968 3.389 4.417 0.037 18 0 "[ . 1 . 2]" 1
752 1 48 LEU H 1 71 LEU H . . 4.630 4.067 3.453 4.594 . 0 0 "[ . 1 . 2]" 1
753 1 48 LEU H 1 72 ILE HA . . 4.000 3.399 2.900 3.907 . 0 0 "[ . 1 . 2]" 1
754 1 48 LEU H 1 73 CYS H . . 4.680 3.627 3.116 4.168 . 0 0 "[ . 1 . 2]" 1
755 1 48 LEU HA 1 48 LEU QD . . 3.260 2.548 2.100 3.088 . 0 0 "[ . 1 . 2]" 1
756 1 48 LEU HA 1 48 LEU HG . . 4.110 2.828 2.362 3.847 . 0 0 "[ . 1 . 2]" 1
757 1 48 LEU HA 1 49 ILE H . . 2.950 2.289 2.120 2.374 . 0 0 "[ . 1 . 2]" 1
758 1 48 LEU HA 1 49 ILE HB . . 4.780 4.705 4.322 4.849 0.069 16 0 "[ . 1 . 2]" 1
759 1 48 LEU HA 1 49 ILE MD . . 5.120 3.309 2.699 5.201 0.081 2 0 "[ . 1 . 2]" 1
760 1 48 LEU HA 1 49 ILE HG13 . . 4.500 4.371 3.961 4.561 0.061 11 0 "[ . 1 . 2]" 1
761 1 48 LEU HB2 1 49 ILE H . . 4.820 4.321 4.049 4.684 . 0 0 "[ . 1 . 2]" 1
762 1 48 LEU HB2 1 70 PHE QD . . 3.840 2.731 2.350 2.910 . 0 0 "[ . 1 . 2]" 1
763 1 48 LEU HB2 1 70 PHE QE . . 3.440 3.072 2.457 3.428 . 0 0 "[ . 1 . 2]" 1
764 1 48 LEU HB2 1 72 ILE HA . . 4.490 3.987 3.456 4.328 . 0 0 "[ . 1 . 2]" 1
765 1 48 LEU HB2 1 72 ILE HG13 . . 4.810 4.771 4.397 4.887 0.077 2 0 "[ . 1 . 2]" 1
766 1 48 LEU HB3 1 70 PHE QD . . 2.810 2.865 2.499 3.475 0.665 3 1 "[ + . 1 . 2]" 1
767 1 48 LEU HB3 1 72 ILE HA . . 3.840 2.341 1.945 2.577 . 0 0 "[ . 1 . 2]" 1
768 1 48 LEU HB3 1 72 ILE HG12 . . 3.980 3.115 2.344 4.033 0.053 9 0 "[ . 1 . 2]" 1
769 1 48 LEU HB3 1 72 ILE MG . . 4.320 3.457 3.059 3.888 . 0 0 "[ . 1 . 2]" 1
770 1 48 LEU HB3 1 73 CYS H . . 4.580 3.679 3.035 4.038 . 0 0 "[ . 1 . 2]" 1
771 1 48 LEU QD 1 49 ILE H . . 3.820 3.105 1.984 3.761 . 0 0 "[ . 1 . 2]" 1
772 1 48 LEU QD 1 50 LEU QD . . 3.410 1.959 1.866 2.077 . 0 0 "[ . 1 . 2]" 1
773 1 48 LEU QD 1 64 LEU QD . . 4.040 2.909 2.163 3.425 . 0 0 "[ . 1 . 2]" 1
774 1 48 LEU QD 1 70 PHE QE . . 4.020 2.257 1.967 3.177 . 0 0 "[ . 1 . 2]" 1
775 1 48 LEU QD 1 70 PHE HZ . . 3.510 2.919 2.343 3.503 . 0 0 "[ . 1 . 2]" 1
776 1 48 LEU QD 1 72 ILE HA . . 4.820 2.909 2.178 3.643 . 0 0 "[ . 1 . 2]" 1
777 1 48 LEU QD 1 72 ILE HG13 . . 4.660 3.633 3.065 4.359 . 0 0 "[ . 1 . 2]" 1
778 1 48 LEU HG 1 49 ILE H . . 4.240 2.898 2.166 4.332 0.092 19 0 "[ . 1 . 2]" 1
779 1 48 LEU HG 1 50 LEU QD . . 4.220 2.896 2.172 3.875 . 0 0 "[ . 1 . 2]" 1
780 1 49 ILE H 1 49 ILE HB . . 3.370 2.754 2.530 2.989 . 0 0 "[ . 1 . 2]" 1
781 1 49 ILE H 1 49 ILE MD . . 4.130 2.761 2.138 3.981 . 0 0 "[ . 1 . 2]" 1
782 1 49 ILE H 1 49 ILE HG12 . . 4.920 4.469 4.092 4.680 . 0 0 "[ . 1 . 2]" 1
783 1 49 ILE H 1 49 ILE HG13 . . 3.710 3.454 2.973 3.697 . 0 0 "[ . 1 . 2]" 1
784 1 49 ILE H 1 49 ILE MG . . 4.480 3.926 3.784 4.077 . 0 0 "[ . 1 . 2]" 1
785 1 49 ILE H 1 50 LEU H . . 5.320 4.388 4.270 4.580 . 0 0 "[ . 1 . 2]" 1
786 1 49 ILE HA 1 49 ILE MD . . 4.070 3.635 3.510 3.920 . 0 0 "[ . 1 . 2]" 1
787 1 49 ILE HA 1 49 ILE HG12 . . 3.940 3.403 2.676 3.619 . 0 0 "[ . 1 . 2]" 1
788 1 49 ILE HA 1 49 ILE HG13 . . 3.820 2.516 2.352 2.811 . 0 0 "[ . 1 . 2]" 1
789 1 49 ILE HA 1 49 ILE MG . . 3.290 2.381 2.288 2.481 . 0 0 "[ . 1 . 2]" 1
790 1 49 ILE HA 1 50 LEU H . . 2.910 2.245 2.141 2.368 . 0 0 "[ . 1 . 2]" 1
791 1 49 ILE HA 1 50 LEU HG . . 5.140 3.890 3.361 5.207 0.067 2 0 "[ . 1 . 2]" 1
792 1 49 ILE HA 1 72 ILE HA . . 4.740 4.458 4.213 4.787 0.047 3 0 "[ . 1 . 2]" 1
793 1 49 ILE HA 1 73 CYS H . . 3.550 2.795 2.424 3.227 . 0 0 "[ . 1 . 2]" 1
794 1 49 ILE HA 1 73 CYS HB2 . . 3.450 2.365 2.056 2.742 . 0 0 "[ . 1 . 2]" 1
795 1 49 ILE HB 1 49 ILE MD . . 3.350 2.294 2.209 2.393 . 0 0 "[ . 1 . 2]" 1
796 1 49 ILE HB 1 50 LEU H . . 4.770 4.026 3.786 4.363 . 0 0 "[ . 1 . 2]" 1
797 1 49 ILE HB 1 73 CYS HB2 . . 4.780 4.553 4.195 4.857 0.077 6 0 "[ . 1 . 2]" 1
798 1 49 ILE MD 1 50 LEU H . . 5.340 5.144 5.081 5.304 . 0 0 "[ . 1 . 2]" 1
799 1 49 ILE MD 1 73 CYS HB2 . . 4.830 4.058 3.763 4.336 . 0 0 "[ . 1 . 2]" 1
800 1 49 ILE HG12 1 50 LEU H . . 4.950 4.915 4.238 5.031 0.081 20 0 "[ . 1 . 2]" 1
801 1 49 ILE HG12 1 73 CYS HB2 . . 4.390 3.185 2.038 3.960 . 0 0 "[ . 1 . 2]" 1
802 1 49 ILE HG13 1 73 CYS HB2 . . 4.520 2.494 2.145 3.132 . 0 0 "[ . 1 . 2]" 1
803 1 49 ILE HG13 1 73 CYS HB3 . . 4.560 3.954 3.529 4.631 0.071 2 0 "[ . 1 . 2]" 1
804 1 49 ILE MG 1 50 LEU H . . 3.590 2.434 2.199 2.794 . 0 0 "[ . 1 . 2]" 1
805 1 49 ILE MG 1 50 LEU HA . . 4.710 3.914 3.635 4.090 . 0 0 "[ . 1 . 2]" 1
806 1 49 ILE MG 1 50 LEU QD . . 5.500 4.427 3.983 4.593 . 0 0 "[ . 1 . 2]" 1
807 1 49 ILE MG 1 51 THR H . . 4.800 4.176 3.553 4.734 . 0 0 "[ . 1 . 2]" 1
808 1 49 ILE MG 1 51 THR HA . . 4.340 4.030 3.476 4.292 . 0 0 "[ . 1 . 2]" 1
809 1 49 ILE MG 1 51 THR MG . . 3.560 3.066 2.664 3.690 0.130 14 0 "[ . 1 . 2]" 1
810 1 49 ILE MG 1 98 MET HA . . 5.500 4.451 3.596 5.122 . 0 0 "[ . 1 . 2]" 1
811 1 49 ILE MG 1 98 MET QB . . 4.870 3.578 2.247 4.579 . 0 0 "[ . 1 . 2]" 1
812 1 49 ILE MG 1 98 MET ME . . 3.240 2.507 2.002 3.370 0.130 20 0 "[ . 1 . 2]" 1
813 1 49 ILE MG 1 98 MET HG2 . . 4.540 3.530 2.677 4.527 . 0 0 "[ . 1 . 2]" 1
814 1 49 ILE MG 1 98 MET HG3 . . 4.420 3.902 2.997 4.632 0.212 18 0 "[ . 1 . 2]" 1
815 1 49 ILE MG 1 99 GLU H . . 5.500 5.049 4.015 5.606 0.106 19 0 "[ . 1 . 2]" 1
816 1 50 LEU H 1 50 LEU HB2 . . 3.670 2.562 2.167 2.669 . 0 0 "[ . 1 . 2]" 1
817 1 50 LEU H 1 50 LEU HB3 . . 4.090 3.732 3.465 3.811 . 0 0 "[ . 1 . 2]" 1
818 1 50 LEU H 1 50 LEU QD . . 4.410 3.416 2.374 3.632 . 0 0 "[ . 1 . 2]" 1
819 1 50 LEU H 1 50 LEU HG . . 3.760 3.116 2.889 3.841 0.081 2 0 "[ . 1 . 2]" 1
820 1 50 LEU H 1 51 THR H . . 5.300 4.278 3.959 4.484 . 0 0 "[ . 1 . 2]" 1
821 1 50 LEU H 1 51 THR HA . . 5.020 4.763 4.465 5.013 . 0 0 "[ . 1 . 2]" 1
822 1 50 LEU H 1 52 GLY H . . 5.260 5.086 4.672 5.340 0.080 20 0 "[ . 1 . 2]" 1
823 1 50 LEU H 1 72 ILE MG . . 4.710 4.431 4.021 4.791 0.081 17 0 "[ . 1 . 2]" 1
824 1 50 LEU H 1 73 CYS H . . 4.430 4.117 3.781 4.502 0.072 1 0 "[ . 1 . 2]" 1
825 1 50 LEU H 1 73 CYS HA . . 5.310 5.261 5.001 5.400 0.090 13 0 "[ . 1 . 2]" 1
826 1 50 LEU H 1 73 CYS HB2 . . 4.380 3.799 3.221 4.198 . 0 0 "[ . 1 . 2]" 1
827 1 50 LEU H 1 74 VAL HA . . 4.000 3.188 2.767 3.596 . 0 0 "[ . 1 . 2]" 1
828 1 50 LEU H 1 74 VAL MG1 . . 4.160 3.726 3.375 4.226 0.066 20 0 "[ . 1 . 2]" 1
829 1 50 LEU HA 1 50 LEU QD . . 3.260 2.222 2.079 2.579 . 0 0 "[ . 1 . 2]" 1
830 1 50 LEU HA 1 51 THR H . . 3.100 2.237 2.142 2.359 . 0 0 "[ . 1 . 2]" 1
831 1 50 LEU HA 1 51 THR MG . . 4.270 3.550 3.158 3.900 . 0 0 "[ . 1 . 2]" 1
832 1 50 LEU HA 1 52 GLY H . . 4.530 3.970 3.552 4.291 . 0 0 "[ . 1 . 2]" 1
833 1 50 LEU HA 1 58 TYR QE . . 5.090 3.810 2.797 4.418 . 0 0 "[ . 1 . 2]" 1
834 1 50 LEU HB2 1 51 THR H . . 4.760 4.336 3.834 4.520 . 0 0 "[ . 1 . 2]" 1
835 1 50 LEU HB2 1 74 VAL HA . . 4.370 2.931 2.552 3.322 . 0 0 "[ . 1 . 2]" 1
836 1 50 LEU HB2 1 74 VAL MG1 . . 3.320 2.236 1.973 2.602 . 0 0 "[ . 1 . 2]" 1
837 1 50 LEU HB3 1 51 THR H . . 4.630 3.556 2.722 3.985 . 0 0 "[ . 1 . 2]" 1
838 1 50 LEU HB3 1 52 GLY H . . 4.910 3.065 2.649 3.692 . 0 0 "[ . 1 . 2]" 1
839 1 50 LEU HB3 1 58 TYR QE . . 3.870 3.082 2.815 3.368 . 0 0 "[ . 1 . 2]" 1
840 1 50 LEU QD 1 51 THR H . . 5.190 3.784 3.387 4.330 . 0 0 "[ . 1 . 2]" 1
841 1 50 LEU QD 1 58 TYR HB2 . . 4.980 3.996 3.539 4.316 . 0 0 "[ . 1 . 2]" 1
842 1 50 LEU QD 1 58 TYR HB3 . . 5.000 3.912 3.339 4.235 . 0 0 "[ . 1 . 2]" 1
843 1 50 LEU QD 1 58 TYR QD . . 3.800 3.033 2.730 3.234 . 0 0 "[ . 1 . 2]" 1
844 1 50 LEU QD 1 58 TYR QE . . 3.620 2.362 2.099 3.091 . 0 0 "[ . 1 . 2]" 1
845 1 50 LEU QD 1 72 ILE HB . . 5.030 4.566 3.713 4.889 . 0 0 "[ . 1 . 2]" 1
846 1 50 LEU QD 1 72 ILE MD . . 4.700 3.770 3.190 4.446 . 0 0 "[ . 1 . 2]" 1
847 1 50 LEU QD 1 72 ILE HG12 . . 5.260 3.956 3.347 4.313 . 0 0 "[ . 1 . 2]" 1
848 1 50 LEU QD 1 72 ILE MG . . 3.080 2.264 1.643 2.554 . 0 0 "[ . 1 . 2]" 1
849 1 50 LEU QD 1 74 VAL MG1 . . 4.180 2.162 1.917 2.569 . 0 0 "[ . 1 . 2]" 1
850 1 50 LEU QD 1 88 TRP HE1 . . 5.500 5.280 4.840 5.427 . 0 0 "[ . 1 . 2]" 1
851 1 50 LEU QD 1 88 TRP HH2 . . 4.280 3.087 2.203 3.794 . 0 0 "[ . 1 . 2]" 1
852 1 50 LEU QD 1 88 TRP HZ2 . . 4.690 3.902 3.443 4.363 . 0 0 "[ . 1 . 2]" 1
853 1 50 LEU QD 1 88 TRP HZ3 . . 4.300 3.628 2.804 4.233 . 0 0 "[ . 1 . 2]" 1
854 1 50 LEU HG 1 72 ILE MG . . 3.220 2.621 2.225 3.362 0.142 2 0 "[ . 1 . 2]" 1
855 1 50 LEU HG 1 74 VAL MG1 . . 3.660 3.239 2.699 3.763 0.103 2 0 "[ . 1 . 2]" 1
856 1 51 THR H 1 51 THR MG . . 3.240 2.204 1.888 2.585 . 0 0 "[ . 1 . 2]" 1
857 1 51 THR H 1 52 GLY H . . 3.470 3.019 2.119 3.544 0.074 18 0 "[ . 1 . 2]" 1
858 1 51 THR H 1 58 TYR QE . . 4.740 4.221 3.632 4.739 . 0 0 "[ . 1 . 2]" 1
859 1 51 THR HA 1 51 THR MG . . 3.110 2.606 2.396 3.211 0.101 14 0 "[ . 1 . 2]" 1
860 1 51 THR HA 1 98 MET ME . . 3.980 2.811 2.121 3.485 . 0 0 "[ . 1 . 2]" 1
861 1 51 THR HB 1 98 MET ME . . 4.890 4.213 2.810 4.941 0.051 13 0 "[ . 1 . 2]" 1
862 1 51 THR MG 1 52 GLY H . . 4.610 4.321 4.064 4.499 . 0 0 "[ . 1 . 2]" 1
863 1 51 THR MG 1 98 MET ME . . 4.200 3.557 2.573 4.297 0.097 20 0 "[ . 1 . 2]" 1
864 1 52 GLY H 1 53 GLU H . . 4.870 4.456 4.274 4.621 . 0 0 "[ . 1 . 2]" 1
865 1 52 GLY H 1 58 TYR QE . . 3.790 3.123 2.395 3.829 0.039 4 0 "[ . 1 . 2]" 1
866 1 52 GLY HA2 1 53 GLU H . . 3.300 2.378 2.130 2.633 . 0 0 "[ . 1 . 2]" 1
867 1 52 GLY HA2 1 54 ASP H . . 4.350 4.296 3.928 4.473 0.123 14 0 "[ . 1 . 2]" 1
868 1 52 GLY HA2 1 58 TYR QE . . 4.150 3.967 3.669 4.172 0.022 14 0 "[ . 1 . 2]" 1
869 1 52 GLY HA3 1 53 GLU H . . 2.960 2.825 2.593 3.202 0.242 4 0 "[ . 1 . 2]" 1
870 1 52 GLY HA3 1 58 TYR QE . . 4.130 2.275 2.036 2.462 . 0 0 "[ . 1 . 2]" 1
871 1 53 GLU H 1 53 GLU HB2 . . 3.490 2.599 2.071 3.809 0.319 3 0 "[ . 1 . 2]" 1
872 1 53 GLU H 1 53 GLU HB3 . . 3.750 3.373 1.929 3.748 . 0 0 "[ . 1 . 2]" 1
873 1 53 GLU H 1 53 GLU HG3 . . 3.840 3.188 2.316 4.385 0.545 4 1 "[ +. 1 . 2]" 1
874 1 53 GLU H 1 54 ASP H . . 3.360 2.531 2.167 2.956 . 0 0 "[ . 1 . 2]" 1
875 1 53 GLU H 1 54 ASP HB3 . . 5.080 4.616 3.722 5.691 0.611 18 2 "[ . 1 - . + 2]" 1
876 1 53 GLU H 1 58 TYR QE . . 5.450 4.485 4.013 5.229 . 0 0 "[ . 1 . 2]" 1
877 1 53 GLU H 1 78 ALA MB . . 5.070 4.536 4.432 4.793 . 0 0 "[ . 1 . 2]" 1
878 1 53 GLU HA 1 53 GLU HB3 . . 3.010 2.576 2.407 2.994 . 0 0 "[ . 1 . 2]" 1
879 1 53 GLU HA 1 53 GLU HG2 . . 3.690 2.740 2.242 3.480 . 0 0 "[ . 1 . 2]" 1
880 1 53 GLU HA 1 53 GLU HG3 . . 3.390 2.954 2.324 3.779 0.389 8 0 "[ . 1 . 2]" 1
881 1 53 GLU HA 1 78 ALA MB . . 3.240 2.148 2.038 2.362 . 0 0 "[ . 1 . 2]" 1
882 1 53 GLU HB2 1 54 ASP H . . 4.600 3.994 3.427 4.600 . 0 0 "[ . 1 . 2]" 1
883 1 53 GLU HB3 1 54 ASP H . . 4.570 4.299 3.204 4.525 . 0 0 "[ . 1 . 2]" 1
884 1 53 GLU HB3 1 78 ALA MB . . 4.330 3.586 2.800 4.425 0.095 18 0 "[ . 1 . 2]" 1
885 1 53 GLU HG2 1 78 ALA HA . . 5.500 5.523 4.656 6.355 0.855 7 2 "[ - . + 1 . 2]" 1
886 1 53 GLU HG2 1 78 ALA MB . . 3.900 3.640 2.869 4.408 0.508 7 1 "[ . + 1 . 2]" 1
887 1 54 ASP H 1 54 ASP HB2 . . 3.550 3.215 2.608 3.656 0.106 11 0 "[ . 1 . 2]" 1
888 1 54 ASP H 1 54 ASP HB3 . . 3.400 2.978 2.591 3.606 0.206 19 0 "[ . 1 . 2]" 1
889 1 54 ASP H 1 55 PRO HD2 . . 5.020 4.841 4.738 4.964 . 0 0 "[ . 1 . 2]" 1
890 1 54 ASP H 1 55 PRO HD3 . . 5.500 4.688 4.527 4.818 . 0 0 "[ . 1 . 2]" 1
891 1 54 ASP H 1 56 SER H . . 5.500 5.266 4.803 5.559 0.059 18 0 "[ . 1 . 2]" 1
892 1 54 ASP H 1 57 ALA MB . . 5.380 3.206 2.700 4.243 . 0 0 "[ . 1 . 2]" 1
893 1 54 ASP H 1 58 TYR QE . . 5.280 3.964 3.410 5.087 . 0 0 "[ . 1 . 2]" 1
894 1 54 ASP H 1 78 ALA MB . . 4.930 3.933 3.645 4.190 . 0 0 "[ . 1 . 2]" 1
895 1 54 ASP HA 1 55 PRO HD2 . . 3.090 2.310 2.163 2.592 . 0 0 "[ . 1 . 2]" 1
896 1 54 ASP HA 1 55 PRO HD3 . . 3.280 2.389 2.152 2.546 . 0 0 "[ . 1 . 2]" 1
897 1 54 ASP HA 1 55 PRO HG2 . . 4.530 4.476 4.346 4.602 0.072 12 0 "[ . 1 . 2]" 1
898 1 54 ASP HA 1 55 PRO HG3 . . 4.420 4.482 4.391 4.604 0.184 4 0 "[ . 1 . 2]" 1
899 1 54 ASP HA 1 56 SER H . . 4.430 4.166 3.820 4.457 0.027 18 0 "[ . 1 . 2]" 1
900 1 54 ASP HA 1 57 ALA H . . 5.500 4.885 4.629 5.563 0.063 18 0 "[ . 1 . 2]" 1
901 1 54 ASP HA 1 78 ALA HA . . 4.880 4.668 4.196 4.956 0.076 9 0 "[ . 1 . 2]" 1
902 1 54 ASP HA 1 81 ARG QD . . 4.590 2.723 2.009 4.226 . 0 0 "[ . 1 . 2]" 1
903 1 54 ASP HB2 1 55 PRO HD2 . . 4.690 3.744 2.461 4.147 . 0 0 "[ . 1 . 2]" 1
904 1 54 ASP HB2 1 55 PRO HD3 . . 4.970 4.673 3.467 5.059 0.089 15 0 "[ . 1 . 2]" 1
905 1 54 ASP HB2 1 56 SER H . . 5.500 4.416 2.781 4.921 . 0 0 "[ . 1 . 2]" 1
906 1 54 ASP HB2 1 57 ALA H . . 5.500 4.506 2.533 4.732 . 0 0 "[ . 1 . 2]" 1
907 1 54 ASP HB2 1 57 ALA MB . . 4.550 3.935 3.145 4.598 0.048 1 0 "[ . 1 . 2]" 1
908 1 54 ASP HB3 1 56 SER H . . 5.050 3.658 2.371 5.048 . 0 0 "[ . 1 . 2]" 1
909 1 54 ASP HB3 1 57 ALA H . . 4.660 3.355 2.327 4.718 0.058 11 0 "[ . 1 . 2]" 1
910 1 54 ASP HB3 1 57 ALA MB . . 3.870 3.008 2.215 4.241 0.371 19 0 "[ . 1 . 2]" 1
911 1 55 PRO HA 1 58 TYR H . . 5.500 4.211 3.735 4.940 . 0 0 "[ . 1 . 2]" 1
912 1 55 PRO HA 1 58 TYR HB2 . . 4.910 3.677 3.044 4.584 . 0 0 "[ . 1 . 2]" 1
913 1 55 PRO HA 1 58 TYR QD . . 3.510 3.337 2.936 3.619 0.109 12 0 "[ . 1 . 2]" 1
914 1 55 PRO HA 1 88 TRP HD1 . . 5.330 4.211 3.715 4.817 . 0 0 "[ . 1 . 2]" 1
915 1 55 PRO HA 1 88 TRP HE1 . . 5.280 3.761 3.243 4.334 . 0 0 "[ . 1 . 2]" 1
916 1 55 PRO HB2 1 56 SER H . . 4.180 3.468 3.040 3.926 . 0 0 "[ . 1 . 2]" 1
917 1 55 PRO HB2 1 88 TRP HD1 . . 3.720 2.356 2.089 2.682 . 0 0 "[ . 1 . 2]" 1
918 1 55 PRO HB3 1 82 TYR HA . . 4.110 2.387 2.160 2.865 . 0 0 "[ . 1 . 2]" 1
919 1 55 PRO HB3 1 88 TRP HD1 . . 3.090 3.264 2.933 3.779 0.689 20 3 "[ . 1- * +]" 1
920 1 55 PRO HB3 1 88 TRP HE1 . . 4.910 4.239 3.453 4.825 . 0 0 "[ . 1 . 2]" 1
921 1 55 PRO HD2 1 56 SER H . . 4.670 2.898 2.625 3.152 . 0 0 "[ . 1 . 2]" 1
922 1 55 PRO HD3 1 56 SER H . . 4.000 4.004 3.827 4.086 0.086 9 0 "[ . 1 . 2]" 1
923 1 55 PRO HG2 1 56 SER H . . 5.150 2.691 2.139 3.512 . 0 0 "[ . 1 . 2]" 1
924 1 55 PRO HG2 1 82 TYR HA . . 3.820 3.882 3.753 3.900 0.080 6 0 "[ . 1 . 2]" 1
925 1 55 PRO HG2 1 85 ASP HB2 . . 4.180 3.317 2.666 3.731 . 0 0 "[ . 1 . 2]" 1
926 1 55 PRO HG3 1 81 ARG HG2 . . 4.930 4.356 3.090 5.448 0.518 18 1 "[ . 1 . + 2]" 1
927 1 55 PRO HG3 1 82 TYR H . . 5.500 4.168 3.686 4.554 . 0 0 "[ . 1 . 2]" 1
928 1 55 PRO HG3 1 82 TYR HA . . 3.830 2.247 2.080 2.499 . 0 0 "[ . 1 . 2]" 1
929 1 55 PRO HG3 1 85 ASP HB2 . . 4.700 2.544 2.128 3.562 . 0 0 "[ . 1 . 2]" 1
930 1 55 PRO HG3 1 88 TRP HD1 . . 4.800 4.645 4.272 4.948 0.148 19 0 "[ . 1 . 2]" 1
931 1 56 SER H 1 56 SER QB . . 3.160 2.451 2.202 2.787 . 0 0 "[ . 1 . 2]" 1
932 1 56 SER H 1 57 ALA H . . 3.230 2.663 2.355 3.010 . 0 0 "[ . 1 . 2]" 1
933 1 56 SER H 1 57 ALA MB . . 4.950 4.249 3.945 4.603 . 0 0 "[ . 1 . 2]" 1
934 1 56 SER H 1 58 TYR H . . 4.720 4.418 4.046 4.787 0.067 15 0 "[ . 1 . 2]" 1
935 1 56 SER HA 1 56 SER QB . . 2.730 2.341 2.181 2.471 . 0 0 "[ . 1 . 2]" 1
936 1 56 SER HA 1 58 TYR H . . 3.870 3.373 3.129 3.716 . 0 0 "[ . 1 . 2]" 1
937 1 56 SER QB 1 57 ALA H . . 4.690 3.216 2.725 3.804 . 0 0 "[ . 1 . 2]" 1
938 1 57 ALA H 1 57 ALA MB . . 3.090 2.229 2.128 2.399 . 0 0 "[ . 1 . 2]" 1
939 1 57 ALA H 1 58 TYR QD . . 4.540 3.624 3.095 4.415 . 0 0 "[ . 1 . 2]" 1
940 1 57 ALA MB 1 58 TYR H . . 4.470 3.429 3.218 3.573 . 0 0 "[ . 1 . 2]" 1
941 1 57 ALA MB 1 58 TYR QD . . 4.350 2.813 2.290 4.133 . 0 0 "[ . 1 . 2]" 1
942 1 57 ALA MB 1 58 TYR QE . . 4.410 3.254 2.687 4.521 0.111 18 0 "[ . 1 . 2]" 1
943 1 58 TYR H 1 58 TYR HB2 . . 3.710 2.603 2.315 2.756 . 0 0 "[ . 1 . 2]" 1
944 1 58 TYR H 1 58 TYR HB3 . . 4.130 3.720 3.488 3.838 . 0 0 "[ . 1 . 2]" 1
945 1 58 TYR H 1 58 TYR QD . . 3.940 3.180 2.876 3.640 . 0 0 "[ . 1 . 2]" 1
946 1 58 TYR H 1 59 SER H . . 5.120 4.375 4.112 4.533 . 0 0 "[ . 1 . 2]" 1
947 1 58 TYR H 1 88 TRP HE1 . . 4.650 4.107 3.449 4.706 0.056 4 0 "[ . 1 . 2]" 1
948 1 58 TYR HA 1 58 TYR QD . . 3.510 2.958 2.653 3.223 . 0 0 "[ . 1 . 2]" 1
949 1 58 TYR HA 1 59 SER H . . 3.020 2.460 2.112 2.803 . 0 0 "[ . 1 . 2]" 1
950 1 58 TYR HB2 1 59 SER H . . 4.670 3.705 3.209 4.429 . 0 0 "[ . 1 . 2]" 1
951 1 58 TYR HB2 1 88 TRP HE1 . . 3.750 3.053 2.572 3.332 . 0 0 "[ . 1 . 2]" 1
952 1 58 TYR HB2 1 88 TRP HZ2 . . 3.240 2.806 2.354 3.306 0.066 16 0 "[ . 1 . 2]" 1
953 1 58 TYR HB3 1 59 SER H . . 4.330 2.455 1.930 3.542 . 0 0 "[ . 1 . 2]" 1
954 1 58 TYR HB3 1 88 TRP HE1 . . 4.110 3.963 3.128 4.193 0.083 12 0 "[ . 1 . 2]" 1
955 1 58 TYR HB3 1 88 TRP HH2 . . 4.820 4.136 3.250 4.818 . 0 0 "[ . 1 . 2]" 1
956 1 58 TYR HB3 1 88 TRP HZ2 . . 3.100 2.428 2.114 2.963 . 0 0 "[ . 1 . 2]" 1
957 1 58 TYR QD 1 59 SER H . . 4.380 3.499 3.017 4.446 0.066 2 0 "[ . 1 . 2]" 1
958 1 58 TYR QD 1 88 TRP HE1 . . 4.860 4.793 4.343 4.937 0.077 5 0 "[ . 1 . 2]" 1
959 1 59 SER H 1 59 SER HB2 . . 3.930 2.891 2.059 3.562 . 0 0 "[ . 1 . 2]" 1
960 1 59 SER H 1 59 SER HB3 . . 3.810 3.656 2.923 4.006 0.196 16 0 "[ . 1 . 2]" 1
961 1 59 SER H 1 60 ALA H . . 4.690 4.297 3.918 4.604 . 0 0 "[ . 1 . 2]" 1
962 1 59 SER H 1 88 TRP HZ2 . . 4.320 3.947 3.162 4.333 0.013 5 0 "[ . 1 . 2]" 1
963 1 59 SER HA 1 60 ALA H . . 2.770 2.446 2.078 2.838 0.068 11 0 "[ . 1 . 2]" 1
964 1 59 SER HA 1 60 ALA MB . . 4.550 3.991 3.712 4.475 . 0 0 "[ . 1 . 2]" 1
965 1 59 SER HA 1 88 TRP HE1 . . 5.300 4.656 4.072 5.377 0.077 6 0 "[ . 1 . 2]" 1
966 1 59 SER HB2 1 60 ALA H . . 3.890 3.510 2.004 3.991 0.101 20 0 "[ . 1 . 2]" 1
967 1 59 SER HB3 1 60 ALA H . . 3.900 2.868 2.069 3.958 0.058 19 0 "[ . 1 . 2]" 1
968 1 60 ALA H 1 60 ALA MB . . 3.590 2.755 2.329 3.152 . 0 0 "[ . 1 . 2]" 1
969 1 60 ALA H 1 61 GLY H . . 5.060 3.477 1.632 4.381 . 0 0 "[ . 1 . 2]" 1
970 1 60 ALA HA 1 61 GLY H . . 3.310 2.620 2.130 3.373 0.063 11 0 "[ . 1 . 2]" 1
971 1 60 ALA HA 1 64 LEU HA . . 3.930 3.913 3.210 4.033 0.103 3 0 "[ . 1 . 2]" 1
972 1 60 ALA HA 1 64 LEU HB2 . . 4.280 3.959 2.669 4.362 0.082 13 0 "[ . 1 . 2]" 1
973 1 60 ALA MB 1 61 GLY H . . 3.220 2.777 2.148 3.311 0.091 9 0 "[ . 1 . 2]" 1
974 1 60 ALA MB 1 61 GLY QA . . 5.310 3.915 3.448 4.260 . 0 0 "[ . 1 . 2]" 1
975 1 60 ALA MB 1 64 LEU H . . 4.490 3.575 2.943 4.493 0.003 15 0 "[ . 1 . 2]" 1
976 1 60 ALA MB 1 64 LEU HB2 . . 3.340 2.186 1.988 3.057 . 0 0 "[ . 1 . 2]" 1
977 1 60 ALA MB 1 64 LEU QD . . 3.770 2.199 1.942 3.341 . 0 0 "[ . 1 . 2]" 1
978 1 60 ALA MB 1 87 PHE QE . . 4.050 2.340 2.078 2.812 . 0 0 "[ . 1 . 2]" 1
979 1 60 ALA MB 1 88 TRP HZ2 . . 3.730 3.426 2.519 3.833 0.103 10 0 "[ . 1 . 2]" 1
980 1 61 GLY H 1 62 ASP H . . 4.230 3.961 1.791 4.311 0.081 9 0 "[ . 1 . 2]" 1
981 1 61 GLY H 1 63 GLY H . . 5.090 4.356 2.734 5.169 0.079 20 0 "[ . 1 . 2]" 1
982 1 61 GLY H 1 64 LEU HB2 . . 5.430 4.616 3.583 5.503 0.073 1 0 "[ . 1 . 2]" 1
983 1 61 GLY QA 1 62 ASP H . . 3.130 2.236 2.083 2.805 . 0 0 "[ . 1 . 2]" 1
984 1 61 GLY QA 1 62 ASP HB3 . . 5.020 4.749 3.864 5.295 0.275 2 0 "[ . 1 . 2]" 1
985 1 61 GLY QA 1 63 GLY H . . 3.980 3.483 3.131 4.073 0.093 6 0 "[ . 1 . 2]" 1
986 1 62 ASP H 1 62 ASP HB2 . . 3.540 2.704 2.073 3.613 0.073 3 0 "[ . 1 . 2]" 1
987 1 62 ASP H 1 62 ASP HB3 . . 3.350 3.096 2.459 3.604 0.254 2 0 "[ . 1 . 2]" 1
988 1 62 ASP H 1 63 GLY H . . 3.260 2.330 1.521 2.743 . 0 0 "[ . 1 . 2]" 1
989 1 62 ASP H 1 63 GLY HA3 . . 4.890 4.538 3.465 4.969 0.079 7 0 "[ . 1 . 2]" 1
990 1 62 ASP H 1 64 LEU H . . 5.480 4.824 2.977 5.556 0.076 15 0 "[ . 1 . 2]" 1
991 1 62 ASP HB2 1 63 GLY H . . 4.300 3.751 2.389 4.387 0.087 9 0 "[ . 1 . 2]" 1
992 1 62 ASP HB3 1 63 GLY H . . 4.240 3.461 2.198 4.227 . 0 0 "[ . 1 . 2]" 1
993 1 63 GLY H 1 64 LEU H . . 3.620 3.089 2.242 3.695 0.075 3 0 "[ . 1 . 2]" 1
994 1 63 GLY H 1 64 LEU HA . . 5.500 4.413 3.933 5.126 . 0 0 "[ . 1 . 2]" 1
995 1 63 GLY HA2 1 65 ARG H . . 5.250 3.818 3.428 4.878 . 0 0 "[ . 1 . 2]" 1
996 1 63 GLY HA3 1 65 ARG H . . 5.280 4.554 4.051 5.249 . 0 0 "[ . 1 . 2]" 1
997 1 63 GLY HA3 1 66 ASP H . . 4.720 3.850 3.321 5.077 0.357 20 0 "[ . 1 . 2]" 1
998 1 64 LEU H 1 64 LEU HB2 . . 3.440 2.553 2.241 3.483 0.043 15 0 "[ . 1 . 2]" 1
999 1 64 LEU H 1 64 LEU HB3 . . 3.410 2.570 2.265 3.033 . 0 0 "[ . 1 . 2]" 1
1000 1 64 LEU H 1 64 LEU QD . . 4.520 3.795 3.709 3.886 . 0 0 "[ . 1 . 2]" 1
1001 1 64 LEU H 1 64 LEU HG . . 5.340 4.481 4.267 5.259 . 0 0 "[ . 1 . 2]" 1
1002 1 64 LEU H 1 65 ARG H . . 3.780 2.974 2.136 3.373 . 0 0 "[ . 1 . 2]" 1
1003 1 64 LEU H 1 91 TYR QE . . 4.560 3.834 3.173 4.592 0.032 20 0 "[ . 1 . 2]" 1
1004 1 64 LEU HA 1 64 LEU QD . . 3.200 2.513 2.151 3.087 . 0 0 "[ . 1 . 2]" 1
1005 1 64 LEU HA 1 64 LEU HG . . 3.800 3.108 2.476 3.657 . 0 0 "[ . 1 . 2]" 1
1006 1 64 LEU HB2 1 65 ARG H . . 4.410 3.877 3.438 4.204 . 0 0 "[ . 1 . 2]" 1
1007 1 64 LEU HB2 1 91 TYR QE . . 5.060 3.992 3.052 4.951 . 0 0 "[ . 1 . 2]" 1
1008 1 64 LEU HB3 1 65 ARG H . . 3.550 2.556 2.160 2.947 . 0 0 "[ . 1 . 2]" 1
1009 1 64 LEU HB3 1 91 TYR QD . . 4.910 4.314 3.910 4.708 . 0 0 "[ . 1 . 2]" 1
1010 1 64 LEU HB3 1 91 TYR QE . . 3.560 3.226 2.473 3.658 0.098 9 0 "[ . 1 . 2]" 1
1011 1 64 LEU QD 1 65 ARG H . . 5.500 3.502 3.008 4.054 . 0 0 "[ . 1 . 2]" 1
1012 1 64 LEU QD 1 72 ILE MD . . 3.550 2.679 2.010 3.530 . 0 0 "[ . 1 . 2]" 1
1013 1 64 LEU QD 1 72 ILE HG12 . . 3.900 3.612 3.245 3.931 0.031 15 0 "[ . 1 . 2]" 1
1014 1 64 LEU QD 1 87 PHE QE . . 5.110 4.162 2.621 4.814 . 0 0 "[ . 1 . 2]" 1
1015 1 64 LEU QD 1 88 TRP HE3 . . 4.800 3.880 3.535 4.333 . 0 0 "[ . 1 . 2]" 1
1016 1 64 LEU QD 1 88 TRP HH2 . . 3.280 2.236 2.028 2.758 . 0 0 "[ . 1 . 2]" 1
1017 1 64 LEU QD 1 88 TRP HZ2 . . 4.830 3.590 2.891 4.034 . 0 0 "[ . 1 . 2]" 1
1018 1 64 LEU QD 1 88 TRP HZ3 . . 3.180 2.400 2.051 3.030 . 0 0 "[ . 1 . 2]" 1
1019 1 64 LEU HG 1 65 ARG H . . 4.760 3.875 2.996 4.832 0.072 15 0 "[ . 1 . 2]" 1
1020 1 65 ARG H 1 65 ARG QB . . 3.660 2.844 2.354 3.257 . 0 0 "[ . 1 . 2]" 1
1021 1 65 ARG H 1 65 ARG QD . . 5.020 4.219 3.991 4.677 . 0 0 "[ . 1 . 2]" 1
1022 1 65 ARG H 1 65 ARG HG2 . . 4.040 3.010 2.199 4.128 0.088 20 0 "[ . 1 . 2]" 1
1023 1 65 ARG H 1 65 ARG HG3 . . 4.660 2.522 2.036 4.665 0.005 20 0 "[ . 1 . 2]" 1
1024 1 65 ARG H 1 66 ASP H . . 3.280 2.780 2.400 3.352 0.072 16 0 "[ . 1 . 2]" 1
1025 1 65 ARG H 1 66 ASP QB . . 4.370 4.294 3.931 4.455 0.085 18 0 "[ . 1 . 2]" 1
1026 1 65 ARG H 1 91 TYR QD . . 5.490 5.264 4.755 5.586 0.096 1 0 "[ . 1 . 2]" 1
1027 1 65 ARG H 1 91 TYR QE . . 3.740 3.442 2.847 3.825 0.085 2 0 "[ . 1 . 2]" 1
1028 1 65 ARG HA 1 65 ARG HG3 . . 3.760 3.600 2.794 3.860 0.100 4 0 "[ . 1 . 2]" 1
1029 1 65 ARG QD 1 70 PHE H . . 3.760 2.896 1.855 3.830 0.070 12 0 "[ . 1 . 2]" 1
1030 1 65 ARG QD 1 91 TYR QD . . 4.440 3.930 2.281 4.545 0.105 14 0 "[ . 1 . 2]" 1
1031 1 65 ARG QD 1 91 TYR QE . . 3.790 3.503 2.141 3.894 0.104 18 0 "[ . 1 . 2]" 1
1032 1 65 ARG HG2 1 70 PHE H . . 4.780 4.711 4.207 5.164 0.384 10 0 "[ . 1 . 2]" 1
1033 1 65 ARG HG2 1 91 TYR QE . . 3.590 2.787 2.211 3.985 0.395 6 0 "[ . 1 . 2]" 1
1034 1 65 ARG HG3 1 91 TYR QD . . 4.850 4.551 3.587 5.332 0.482 10 0 "[ . 1 . 2]" 1
1035 1 65 ARG HG3 1 91 TYR QE . . 5.360 2.969 2.171 4.837 . 0 0 "[ . 1 . 2]" 1
1036 1 66 ASP H 1 66 ASP QB . . 3.010 2.253 2.100 2.570 . 0 0 "[ . 1 . 2]" 1
1037 1 66 ASP H 1 67 GLY H . . 4.660 4.562 4.390 4.683 0.023 9 0 "[ . 1 . 2]" 1
1038 1 66 ASP H 1 68 ALA H . . 5.490 4.653 3.742 5.051 . 0 0 "[ . 1 . 2]" 1
1039 1 66 ASP HA 1 67 GLY H . . 2.730 2.212 2.056 2.428 . 0 0 "[ . 1 . 2]" 1
1040 1 66 ASP HA 1 68 ALA H . . 3.910 3.542 3.179 3.900 . 0 0 "[ . 1 . 2]" 1
1041 1 66 ASP QB 1 67 GLY H . . 3.800 3.599 2.875 3.887 0.087 6 0 "[ . 1 . 2]" 1
1042 1 66 ASP QB 1 67 GLY HA3 . . 4.440 4.357 4.082 4.527 0.087 6 0 "[ . 1 . 2]" 1
1043 1 66 ASP QB 1 68 ALA H . . 5.280 4.841 4.414 5.112 . 0 0 "[ . 1 . 2]" 1
1044 1 67 GLY H 1 68 ALA H . . 3.270 2.735 2.422 3.126 . 0 0 "[ . 1 . 2]" 1
1045 1 67 GLY H 1 68 ALA MB . . 5.500 4.845 4.529 5.160 . 0 0 "[ . 1 . 2]" 1
1046 1 67 GLY HA3 1 68 ALA MB . . 4.820 4.238 4.010 4.498 . 0 0 "[ . 1 . 2]" 1
1047 1 68 ALA H 1 68 ALA MB . . 3.470 2.635 2.302 2.902 . 0 0 "[ . 1 . 2]" 1
1048 1 68 ALA H 1 69 ASP H . . 5.030 4.363 4.248 4.457 . 0 0 "[ . 1 . 2]" 1
1049 1 68 ALA H 1 69 ASP HA . . 5.500 4.719 4.376 5.248 . 0 0 "[ . 1 . 2]" 1
1050 1 68 ALA HA 1 69 ASP H . . 2.990 2.627 2.451 2.921 . 0 0 "[ . 1 . 2]" 1
1051 1 68 ALA HA 1 69 ASP HB2 . . 4.890 4.466 4.010 4.948 0.058 5 0 "[ . 1 . 2]" 1
1052 1 68 ALA HA 1 69 ASP HB3 . . 4.580 4.606 4.212 4.953 0.373 12 0 "[ . 1 . 2]" 1
1053 1 68 ALA MB 1 69 ASP H . . 3.080 2.199 1.976 2.377 . 0 0 "[ . 1 . 2]" 1
1054 1 68 ALA MB 1 69 ASP HA . . 5.350 3.870 3.641 4.203 . 0 0 "[ . 1 . 2]" 1
1055 1 68 ALA MB 1 69 ASP HB3 . . 5.210 4.739 4.497 4.896 . 0 0 "[ . 1 . 2]" 1
1056 1 68 ALA MB 1 70 PHE H . . 4.010 4.017 3.424 4.107 0.097 5 0 "[ . 1 . 2]" 1
1057 1 68 ALA MB 1 70 PHE QD . . 3.100 2.398 2.088 2.864 . 0 0 "[ . 1 . 2]" 1
1058 1 69 ASP H 1 69 ASP HB2 . . 3.650 3.422 3.116 3.660 0.010 7 0 "[ . 1 . 2]" 1
1059 1 69 ASP H 1 69 ASP HB3 . . 3.650 2.956 2.529 3.182 . 0 0 "[ . 1 . 2]" 1
1060 1 69 ASP H 1 70 PHE H . . 3.610 3.612 3.410 3.690 0.080 5 0 "[ . 1 . 2]" 1
1061 1 69 ASP H 1 70 PHE HB3 . . 4.270 3.925 3.444 4.329 0.059 20 0 "[ . 1 . 2]" 1
1062 1 69 ASP H 1 70 PHE QD . . 4.360 3.580 2.919 4.419 0.059 19 0 "[ . 1 . 2]" 1
1063 1 69 ASP HA 1 70 PHE H . . 3.130 2.210 2.022 2.371 . 0 0 "[ . 1 . 2]" 1
1064 1 69 ASP HB2 1 70 PHE H . . 4.910 4.507 4.306 4.663 . 0 0 "[ . 1 . 2]" 1
1065 1 69 ASP HB3 1 70 PHE H . . 4.650 4.477 4.263 4.574 . 0 0 "[ . 1 . 2]" 1
1066 1 70 PHE H 1 70 PHE QD . . 3.180 3.013 2.578 3.257 0.077 1 0 "[ . 1 . 2]" 1
1067 1 70 PHE H 1 71 LEU H . . 5.070 4.420 4.359 4.500 . 0 0 "[ . 1 . 2]" 1
1068 1 70 PHE HA 1 70 PHE QD . . 3.760 3.765 3.723 3.799 0.039 6 0 "[ . 1 . 2]" 1
1069 1 70 PHE HA 1 71 LEU H . . 3.060 2.439 2.227 2.720 . 0 0 "[ . 1 . 2]" 1
1070 1 70 PHE HB2 1 71 LEU H . . 3.320 2.391 2.204 2.614 . 0 0 "[ . 1 . 2]" 1
1071 1 70 PHE HB3 1 71 LEU H . . 3.620 3.665 3.572 3.718 0.098 12 0 "[ . 1 . 2]" 1
1072 1 70 PHE QD 1 71 LEU H . . 3.970 3.123 2.628 3.351 . 0 0 "[ . 1 . 2]" 1
1073 1 70 PHE QD 1 72 ILE H . . 4.340 4.421 4.319 4.444 0.104 3 0 "[ . 1 . 2]" 1
1074 1 70 PHE QD 1 72 ILE HG13 . . 3.910 3.067 2.455 3.634 . 0 0 "[ . 1 . 2]" 1
1075 1 70 PHE QE 1 71 LEU H . . 5.500 5.396 4.940 5.599 0.099 8 0 "[ . 1 . 2]" 1
1076 1 70 PHE QE 1 72 ILE MG . . 4.290 4.128 3.853 4.396 0.106 9 0 "[ . 1 . 2]" 1
1077 1 71 LEU H 1 71 LEU HB2 . . 3.570 2.562 2.328 2.948 . 0 0 "[ . 1 . 2]" 1
1078 1 71 LEU H 1 71 LEU HB3 . . 4.010 3.010 2.318 3.688 . 0 0 "[ . 1 . 2]" 1
1079 1 71 LEU H 1 71 LEU QD . . 4.460 3.678 3.308 3.943 . 0 0 "[ . 1 . 2]" 1
1080 1 71 LEU H 1 72 ILE H . . 5.080 4.544 4.433 4.682 . 0 0 "[ . 1 . 2]" 1
1081 1 71 LEU HA 1 71 LEU QD . . 3.070 2.134 2.049 2.229 . 0 0 "[ . 1 . 2]" 1
1082 1 71 LEU HA 1 71 LEU HG . . 4.270 3.007 2.639 3.765 . 0 0 "[ . 1 . 2]" 1
1083 1 71 LEU HA 1 72 ILE H . . 3.120 2.304 2.155 2.449 . 0 0 "[ . 1 . 2]" 1
1084 1 71 LEU HA 1 72 ILE HB . . 4.940 4.509 4.192 4.805 . 0 0 "[ . 1 . 2]" 1
1085 1 71 LEU HA 1 72 ILE MD . . 4.680 4.312 3.779 4.764 0.084 14 0 "[ . 1 . 2]" 1
1086 1 71 LEU HA 1 72 ILE HG13 . . 4.820 3.314 2.922 3.589 . 0 0 "[ . 1 . 2]" 1
1087 1 71 LEU HA 1 94 TRP HB2 . . 3.910 3.917 3.645 3.985 0.075 12 0 "[ . 1 . 2]" 1
1088 1 71 LEU HA 1 94 TRP HB3 . . 3.760 2.349 2.066 2.668 . 0 0 "[ . 1 . 2]" 1
1089 1 71 LEU HB2 1 71 LEU QD . . 3.240 2.183 2.062 2.371 . 0 0 "[ . 1 . 2]" 1
1090 1 71 LEU HB2 1 72 ILE H . . 4.120 4.039 3.764 4.207 0.087 6 0 "[ . 1 . 2]" 1
1091 1 71 LEU HB3 1 72 ILE H . . 3.790 3.307 2.515 3.861 0.071 3 0 "[ . 1 . 2]" 1
1092 1 71 LEU QD 1 72 ILE H . . 4.060 2.793 1.885 3.287 . 0 0 "[ . 1 . 2]" 1
1093 1 71 LEU QD 1 94 TRP H . . 5.010 4.531 4.329 4.985 . 0 0 "[ . 1 . 2]" 1
1094 1 71 LEU QD 1 94 TRP HA . . 3.450 2.239 2.023 2.730 . 0 0 "[ . 1 . 2]" 1
1095 1 71 LEU QD 1 94 TRP HB2 . . 4.320 3.715 3.435 3.965 . 0 0 "[ . 1 . 2]" 1
1096 1 71 LEU QD 1 94 TRP HB3 . . 3.690 2.330 2.071 2.728 . 0 0 "[ . 1 . 2]" 1
1097 1 71 LEU QD 1 94 TRP HD1 . . 3.170 2.616 2.096 3.216 0.046 3 0 "[ . 1 . 2]" 1
1098 1 71 LEU QD 1 94 TRP HE1 . . 5.500 4.623 4.132 5.232 . 0 0 "[ . 1 . 2]" 1
1099 1 71 LEU QD 1 96 GLN H . . 5.500 4.192 3.187 4.864 . 0 0 "[ . 1 . 2]" 1
1100 1 71 LEU QD 1 96 GLN HB3 . . 4.760 3.753 2.989 4.363 . 0 0 "[ . 1 . 2]" 1
1101 1 71 LEU QD 1 96 GLN HE21 . . 5.500 3.159 2.328 4.469 . 0 0 "[ . 1 . 2]" 1
1102 1 71 LEU QD 1 96 GLN HE22 . . 5.110 2.997 2.323 4.004 . 0 0 "[ . 1 . 2]" 1
1103 1 71 LEU QD 1 96 GLN HG2 . . 3.810 2.517 2.109 3.326 . 0 0 "[ . 1 . 2]" 1
1104 1 71 LEU QD 1 96 GLN HG3 . . 3.930 3.322 2.091 3.774 . 0 0 "[ . 1 . 2]" 1
1105 1 72 ILE H 1 72 ILE HB . . 3.170 2.540 2.402 2.787 . 0 0 "[ . 1 . 2]" 1
1106 1 72 ILE H 1 72 ILE MD . . 4.030 3.561 2.978 4.109 0.079 16 0 "[ . 1 . 2]" 1
1107 1 72 ILE H 1 72 ILE HG12 . . 3.950 3.970 3.711 4.032 0.082 17 0 "[ . 1 . 2]" 1
1108 1 72 ILE H 1 72 ILE HG13 . . 3.820 2.709 2.576 2.841 . 0 0 "[ . 1 . 2]" 1
1109 1 72 ILE H 1 94 TRP HB2 . . 4.760 3.919 3.575 4.252 . 0 0 "[ . 1 . 2]" 1
1110 1 72 ILE H 1 94 TRP HB3 . . 4.370 2.980 2.269 3.295 . 0 0 "[ . 1 . 2]" 1
1111 1 72 ILE H 1 95 ILE H . . 5.500 4.936 4.382 5.250 . 0 0 "[ . 1 . 2]" 1
1112 1 72 ILE H 1 95 ILE HA . . 3.940 3.435 2.763 3.815 . 0 0 "[ . 1 . 2]" 1
1113 1 72 ILE HA 1 72 ILE MD . . 3.790 3.889 3.780 3.908 0.118 13 0 "[ . 1 . 2]" 1
1114 1 72 ILE HA 1 72 ILE HG12 . . 3.620 2.769 2.371 3.146 . 0 0 "[ . 1 . 2]" 1
1115 1 72 ILE HA 1 72 ILE HG13 . . 3.840 2.941 2.780 3.236 . 0 0 "[ . 1 . 2]" 1
1116 1 72 ILE HA 1 72 ILE MG . . 3.360 2.427 2.303 2.544 . 0 0 "[ . 1 . 2]" 1
1117 1 72 ILE HA 1 73 CYS H . . 3.130 2.239 2.174 2.303 . 0 0 "[ . 1 . 2]" 1
1118 1 72 ILE HA 1 73 CYS HA . . 4.420 4.481 4.431 4.500 0.080 1 0 "[ . 1 . 2]" 1
1119 1 72 ILE HA 1 73 CYS HB2 . . 4.730 4.729 4.553 4.799 0.069 9 0 "[ . 1 . 2]" 1
1120 1 72 ILE HB 1 73 CYS HA . . 5.030 4.925 4.547 5.115 0.085 15 0 "[ . 1 . 2]" 1
1121 1 72 ILE HB 1 94 TRP HB2 . . 4.930 4.042 3.395 4.440 . 0 0 "[ . 1 . 2]" 1
1122 1 72 ILE HB 1 94 TRP HB3 . . 4.670 4.185 3.426 4.749 0.079 14 0 "[ . 1 . 2]" 1
1123 1 72 ILE HB 1 95 ILE HA . . 3.310 2.469 2.067 3.209 . 0 0 "[ . 1 . 2]" 1
1124 1 72 ILE HB 1 95 ILE HG12 . . 3.760 2.702 2.167 3.321 . 0 0 "[ . 1 . 2]" 1
1125 1 72 ILE HB 1 95 ILE HG13 . . 4.180 3.356 2.685 4.011 . 0 0 "[ . 1 . 2]" 1
1126 1 72 ILE MD 1 72 ILE MG . . 3.220 2.146 2.047 2.346 . 0 0 "[ . 1 . 2]" 1
1127 1 72 ILE MD 1 88 TRP HE3 . . 4.920 3.459 2.788 4.027 . 0 0 "[ . 1 . 2]" 1
1128 1 72 ILE MD 1 88 TRP HH2 . . 4.250 4.092 3.596 4.330 0.080 17 0 "[ . 1 . 2]" 1
1129 1 72 ILE MD 1 88 TRP HZ3 . . 3.330 2.296 2.079 2.523 . 0 0 "[ . 1 . 2]" 1
1130 1 72 ILE MD 1 91 TYR HB2 . . 3.880 3.759 3.119 3.987 0.107 17 0 "[ . 1 . 2]" 1
1131 1 72 ILE MD 1 91 TYR HB3 . . 3.560 2.742 2.186 3.172 . 0 0 "[ . 1 . 2]" 1
1132 1 72 ILE MD 1 91 TYR QD . . 3.410 3.336 2.724 3.532 0.122 6 0 "[ . 1 . 2]" 1
1133 1 72 ILE MD 1 94 TRP HB2 . . 4.600 2.694 2.139 3.821 . 0 0 "[ . 1 . 2]" 1
1134 1 72 ILE MD 1 94 TRP HB3 . . 4.750 3.460 2.721 4.562 . 0 0 "[ . 1 . 2]" 1
1135 1 72 ILE MD 1 94 TRP HE3 . . 4.330 3.998 3.366 4.439 0.109 14 0 "[ . 1 . 2]" 1
1136 1 72 ILE MD 1 95 ILE HA . . 4.900 3.863 3.195 4.981 0.081 7 0 "[ . 1 . 2]" 1
1137 1 72 ILE HG12 1 72 ILE MG . . 2.910 2.302 2.153 2.503 . 0 0 "[ . 1 . 2]" 1
1138 1 72 ILE HG12 1 73 CYS H . . 5.100 4.776 4.307 5.144 0.044 1 0 "[ . 1 . 2]" 1
1139 1 72 ILE MG 1 73 CYS H . . 3.480 3.013 2.344 3.559 0.079 1 0 "[ . 1 . 2]" 1
1140 1 72 ILE MG 1 73 CYS HA . . 4.960 4.006 3.570 4.307 . 0 0 "[ . 1 . 2]" 1
1141 1 72 ILE MG 1 74 VAL MG1 . . 3.350 2.287 2.034 2.713 . 0 0 "[ . 1 . 2]" 1
1142 1 72 ILE MG 1 88 TRP HE3 . . 4.820 4.171 3.670 4.699 . 0 0 "[ . 1 . 2]" 1
1143 1 72 ILE MG 1 88 TRP HH2 . . 4.570 4.163 3.548 4.646 0.076 6 0 "[ . 1 . 2]" 1
1144 1 72 ILE MG 1 88 TRP HZ3 . . 3.910 3.084 2.409 3.756 . 0 0 "[ . 1 . 2]" 1
1145 1 72 ILE MG 1 95 ILE HA . . 4.260 3.447 3.191 3.755 . 0 0 "[ . 1 . 2]" 1
1146 1 72 ILE MG 1 95 ILE MD . . 4.530 3.653 2.954 4.160 . 0 0 "[ . 1 . 2]" 1
1147 1 72 ILE MG 1 95 ILE HG12 . . 4.670 2.713 2.207 3.267 . 0 0 "[ . 1 . 2]" 1
1148 1 72 ILE MG 1 95 ILE HG13 . . 4.320 3.918 3.274 4.409 0.089 18 0 "[ . 1 . 2]" 1
1149 1 72 ILE MG 1 95 ILE MG . . 3.760 3.294 2.640 3.873 0.113 11 0 "[ . 1 . 2]" 1
1150 1 72 ILE MG 1 96 GLN H . . 4.800 4.229 3.907 4.635 . 0 0 "[ . 1 . 2]" 1
1151 1 73 CYS H 1 73 CYS HB2 . . 3.640 2.622 2.400 2.842 . 0 0 "[ . 1 . 2]" 1
1152 1 73 CYS H 1 73 CYS HB3 . . 3.870 3.722 3.633 3.843 . 0 0 "[ . 1 . 2]" 1
1153 1 73 CYS H 1 74 VAL H . . 4.930 4.468 4.318 4.639 . 0 0 "[ . 1 . 2]" 1
1154 1 73 CYS H 1 74 VAL MG1 . . 4.830 4.107 3.618 4.675 . 0 0 "[ . 1 . 2]" 1
1155 1 73 CYS H 1 96 GLN H . . 5.020 4.857 4.684 5.086 0.066 6 0 "[ . 1 . 2]" 1
1156 1 73 CYS HA 1 74 VAL H . . 2.830 2.258 2.161 2.334 . 0 0 "[ . 1 . 2]" 1
1157 1 73 CYS HA 1 74 VAL HA . . 4.670 4.529 4.472 4.585 . 0 0 "[ . 1 . 2]" 1
1158 1 73 CYS HA 1 74 VAL MG1 . . 4.480 3.816 3.451 4.324 . 0 0 "[ . 1 . 2]" 1
1159 1 73 CYS HA 1 74 VAL MG2 . . 4.400 3.690 3.000 4.028 . 0 0 "[ . 1 . 2]" 1
1160 1 73 CYS HA 1 95 ILE MG . . 4.710 4.422 3.585 4.809 0.099 2 0 "[ . 1 . 2]" 1
1161 1 73 CYS HA 1 96 GLN H . . 3.650 2.914 2.362 3.266 . 0 0 "[ . 1 . 2]" 1
1162 1 73 CYS HA 1 96 GLN HB2 . . 4.650 4.562 4.241 4.726 0.076 3 0 "[ . 1 . 2]" 1
1163 1 73 CYS HA 1 96 GLN HG3 . . 4.780 2.885 2.126 4.490 . 0 0 "[ . 1 . 2]" 1
1164 1 73 CYS HA 1 97 PRO HA . . 4.970 4.465 4.220 4.717 . 0 0 "[ . 1 . 2]" 1
1165 1 73 CYS HA 1 98 MET H . . 5.080 5.013 4.759 5.153 0.073 4 0 "[ . 1 . 2]" 1
1166 1 73 CYS HA 1 98 MET HA . . 4.910 4.526 4.220 4.863 . 0 0 "[ . 1 . 2]" 1
1167 1 73 CYS HB2 1 74 VAL H . . 4.360 4.124 3.828 4.411 0.051 13 0 "[ . 1 . 2]" 1
1168 1 73 CYS HB3 1 74 VAL H . . 4.080 3.257 2.658 3.783 . 0 0 "[ . 1 . 2]" 1
1169 1 73 CYS HB3 1 98 MET HA . . 3.260 2.679 2.250 3.331 0.071 20 0 "[ . 1 . 2]" 1
1170 1 73 CYS HB3 1 98 MET QB . . 4.800 3.741 2.922 4.350 . 0 0 "[ . 1 . 2]" 1
1171 1 74 VAL H 1 74 VAL MG1 . . 3.690 3.065 2.638 3.434 . 0 0 "[ . 1 . 2]" 1
1172 1 74 VAL H 1 74 VAL MG2 . . 3.230 2.259 2.105 2.401 . 0 0 "[ . 1 . 2]" 1
1173 1 74 VAL H 1 79 LEU MD1 . . 4.940 3.913 3.471 4.502 . 0 0 "[ . 1 . 2]" 1
1174 1 74 VAL H 1 95 ILE MG . . 4.530 4.037 3.545 4.593 0.063 9 0 "[ . 1 . 2]" 1
1175 1 74 VAL H 1 96 GLN H . . 4.480 3.843 3.441 4.357 . 0 0 "[ . 1 . 2]" 1
1176 1 74 VAL H 1 96 GLN HA . . 5.390 5.141 4.912 5.359 . 0 0 "[ . 1 . 2]" 1
1177 1 74 VAL H 1 96 GLN HB2 . . 5.390 5.393 5.196 5.466 0.076 6 0 "[ . 1 . 2]" 1
1178 1 74 VAL H 1 97 PRO HA . . 3.550 3.030 2.800 3.274 . 0 0 "[ . 1 . 2]" 1
1179 1 74 VAL H 1 98 MET H . . 3.900 3.698 3.338 3.966 0.066 15 0 "[ . 1 . 2]" 1
1180 1 74 VAL H 1 98 MET HA . . 4.850 4.494 4.018 4.822 . 0 0 "[ . 1 . 2]" 1
1181 1 74 VAL HA 1 74 VAL MG1 . . 3.250 2.382 2.265 2.466 . 0 0 "[ . 1 . 2]" 1
1182 1 74 VAL HA 1 75 PRO HD2 . . 3.100 2.695 2.506 2.882 . 0 0 "[ . 1 . 2]" 1
1183 1 74 VAL HA 1 75 PRO HD3 . . 3.540 2.561 2.446 2.776 . 0 0 "[ . 1 . 2]" 1
1184 1 74 VAL HA 1 75 PRO HG2 . . 4.930 4.799 4.657 4.920 . 0 0 "[ . 1 . 2]" 1
1185 1 74 VAL HA 1 75 PRO HG3 . . 5.000 4.785 4.716 4.923 . 0 0 "[ . 1 . 2]" 1
1186 1 74 VAL HA 1 98 MET ME . . 4.550 2.839 2.387 3.300 . 0 0 "[ . 1 . 2]" 1
1187 1 74 VAL HB 1 75 PRO HD2 . . 3.550 2.126 2.025 2.189 . 0 0 "[ . 1 . 2]" 1
1188 1 74 VAL HB 1 75 PRO HD3 . . 3.320 3.479 3.288 3.609 0.289 16 0 "[ . 1 . 2]" 1
1189 1 74 VAL HB 1 98 MET ME . . 4.650 4.515 4.213 4.736 0.086 16 0 "[ . 1 . 2]" 1
1190 1 74 VAL MG1 1 75 PRO HD2 . . 4.150 3.346 2.717 3.674 . 0 0 "[ . 1 . 2]" 1
1191 1 74 VAL MG1 1 75 PRO HD3 . . 4.660 4.029 3.408 4.215 . 0 0 "[ . 1 . 2]" 1
1192 1 74 VAL MG1 1 78 ALA MB . . 4.480 3.846 3.131 4.254 . 0 0 "[ . 1 . 2]" 1
1193 1 74 VAL MG1 1 79 LEU MD1 . . 5.060 4.043 3.758 4.954 . 0 0 "[ . 1 . 2]" 1
1194 1 74 VAL MG1 1 82 TYR H . . 5.500 5.265 4.860 5.592 0.092 1 0 "[ . 1 . 2]" 1
1195 1 74 VAL MG1 1 82 TYR QB . . 4.660 3.447 2.991 3.829 . 0 0 "[ . 1 . 2]" 1
1196 1 74 VAL MG1 1 95 ILE MD . . 4.410 3.822 3.112 4.383 . 0 0 "[ . 1 . 2]" 1
1197 1 74 VAL MG1 1 95 ILE HG12 . . 5.500 3.732 3.164 4.172 . 0 0 "[ . 1 . 2]" 1
1198 1 74 VAL MG1 1 95 ILE MG . . 3.460 2.653 2.051 3.513 0.053 9 0 "[ . 1 . 2]" 1
1199 1 74 VAL MG1 1 96 GLN H . . 5.090 4.304 3.743 4.813 . 0 0 "[ . 1 . 2]" 1
1200 1 74 VAL MG1 1 98 MET ME . . 5.500 4.395 3.917 4.841 . 0 0 "[ . 1 . 2]" 1
1201 1 74 VAL MG2 1 75 PRO HD2 . . 4.590 3.572 3.309 3.870 . 0 0 "[ . 1 . 2]" 1
1202 1 74 VAL MG2 1 75 PRO HD3 . . 4.780 4.531 4.301 4.689 . 0 0 "[ . 1 . 2]" 1
1203 1 74 VAL MG2 1 76 GLU HA . . 4.880 4.129 3.634 4.871 . 0 0 "[ . 1 . 2]" 1
1204 1 74 VAL MG2 1 78 ALA H . . 5.500 4.370 3.973 5.204 . 0 0 "[ . 1 . 2]" 1
1205 1 74 VAL MG2 1 78 ALA MB . . 4.310 3.301 2.711 4.091 . 0 0 "[ . 1 . 2]" 1
1206 1 74 VAL MG2 1 79 LEU H . . 4.380 3.739 3.215 4.433 0.053 18 0 "[ . 1 . 2]" 1
1207 1 74 VAL MG2 1 79 LEU HA . . 3.130 2.341 2.004 2.757 . 0 0 "[ . 1 . 2]" 1
1208 1 74 VAL MG2 1 79 LEU HB2 . . 4.710 3.128 2.682 4.049 . 0 0 "[ . 1 . 2]" 1
1209 1 74 VAL MG2 1 79 LEU HB3 . . 5.240 4.377 3.968 5.099 . 0 0 "[ . 1 . 2]" 1
1210 1 74 VAL MG2 1 79 LEU MD1 . . 3.510 2.128 1.949 2.819 . 0 0 "[ . 1 . 2]" 1
1211 1 74 VAL MG2 1 79 LEU MD2 . . 5.290 3.915 3.512 4.684 . 0 0 "[ . 1 . 2]" 1
1212 1 74 VAL MG2 1 79 LEU HG . . 5.480 4.218 3.889 5.007 . 0 0 "[ . 1 . 2]" 1
1213 1 74 VAL MG2 1 80 ASP H . . 5.500 5.270 4.889 5.595 0.095 18 0 "[ . 1 . 2]" 1
1214 1 74 VAL MG2 1 82 TYR H . . 5.250 4.482 4.055 5.007 . 0 0 "[ . 1 . 2]" 1
1215 1 74 VAL MG2 1 82 TYR QB . . 4.530 3.128 2.643 3.617 . 0 0 "[ . 1 . 2]" 1
1216 1 74 VAL MG2 1 83 ARG H . . 5.500 5.148 4.681 5.494 . 0 0 "[ . 1 . 2]" 1
1217 1 74 VAL MG2 1 95 ILE MG . . 3.400 2.203 1.932 2.840 . 0 0 "[ . 1 . 2]" 1
1218 1 74 VAL MG2 1 96 GLN H . . 5.500 3.588 2.825 4.154 . 0 0 "[ . 1 . 2]" 1
1219 1 74 VAL MG2 1 96 GLN HA . . 5.500 4.370 3.846 4.733 . 0 0 "[ . 1 . 2]" 1
1220 1 74 VAL MG2 1 97 PRO HA . . 3.810 3.069 2.707 3.425 . 0 0 "[ . 1 . 2]" 1
1221 1 74 VAL MG2 1 97 PRO QB . . 5.020 4.267 3.906 4.658 . 0 0 "[ . 1 . 2]" 1
1222 1 74 VAL MG2 1 98 MET H . . 4.560 4.343 4.057 4.640 0.080 5 0 "[ . 1 . 2]" 1
1223 1 75 PRO HA 1 76 GLU H . . 2.730 2.278 2.164 2.358 . 0 0 "[ . 1 . 2]" 1
1224 1 75 PRO HA 1 76 GLU HA . . 4.610 4.343 4.227 4.459 . 0 0 "[ . 1 . 2]" 1
1225 1 75 PRO HA 1 77 GLU H . . 4.390 4.229 4.073 4.435 0.045 16 0 "[ . 1 . 2]" 1
1226 1 75 PRO HA 1 98 MET H . . 4.120 3.072 2.719 3.323 . 0 0 "[ . 1 . 2]" 1
1227 1 75 PRO HA 1 98 MET HA . . 5.240 5.191 4.965 5.310 0.070 19 0 "[ . 1 . 2]" 1
1228 1 75 PRO HA 1 98 MET QB . . 3.580 2.695 2.280 3.066 . 0 0 "[ . 1 . 2]" 1
1229 1 75 PRO HA 1 98 MET ME . . 4.230 2.662 2.271 3.644 . 0 0 "[ . 1 . 2]" 1
1230 1 75 PRO HA 1 98 MET HG3 . . 4.180 3.345 2.532 3.984 . 0 0 "[ . 1 . 2]" 1
1231 1 75 PRO HB2 1 76 GLU HA . . 5.100 4.969 4.855 5.098 . 0 0 "[ . 1 . 2]" 1
1232 1 75 PRO HB2 1 77 GLU H . . 4.070 2.728 2.539 2.944 . 0 0 "[ . 1 . 2]" 1
1233 1 75 PRO HB2 1 78 ALA H . . 4.160 3.308 3.149 3.432 . 0 0 "[ . 1 . 2]" 1
1234 1 75 PRO HB3 1 76 GLU H . . 4.040 3.788 3.635 3.995 . 0 0 "[ . 1 . 2]" 1
1235 1 75 PRO HB3 1 77 GLU H . . 4.440 4.375 4.172 4.504 0.064 15 0 "[ . 1 . 2]" 1
1236 1 75 PRO HB3 1 78 ALA H . . 4.770 4.805 4.677 4.852 0.082 19 0 "[ . 1 . 2]" 1
1237 1 75 PRO HD2 1 98 MET ME . . 3.950 3.503 3.287 3.700 . 0 0 "[ . 1 . 2]" 1
1238 1 75 PRO HD3 1 78 ALA H . . 5.500 5.353 5.047 5.587 0.087 19 0 "[ . 1 . 2]" 1
1239 1 75 PRO HD3 1 78 ALA MB . . 3.730 3.905 3.626 4.127 0.397 9 0 "[ . 1 . 2]" 1
1240 1 76 GLU H 1 76 GLU HB2 . . 3.690 3.572 2.611 3.670 . 0 0 "[ . 1 . 2]" 1
1241 1 76 GLU H 1 76 GLU HB3 . . 3.190 2.468 2.007 2.607 . 0 0 "[ . 1 . 2]" 1
1242 1 76 GLU H 1 76 GLU HG2 . . 4.000 2.464 1.998 4.043 0.043 10 0 "[ . 1 . 2]" 1
1243 1 76 GLU H 1 76 GLU HG3 . . 4.100 3.481 2.994 4.193 0.093 10 0 "[ . 1 . 2]" 1
1244 1 76 GLU H 1 77 GLU H . . 3.670 2.910 2.780 3.082 . 0 0 "[ . 1 . 2]" 1
1245 1 76 GLU H 1 77 GLU HA . . 5.460 5.467 5.324 5.538 0.078 16 0 "[ . 1 . 2]" 1
1246 1 76 GLU H 1 78 ALA H . . 4.940 4.360 4.145 4.571 . 0 0 "[ . 1 . 2]" 1
1247 1 76 GLU H 1 97 PRO HA . . 5.500 4.371 3.924 4.875 . 0 0 "[ . 1 . 2]" 1
1248 1 76 GLU H 1 98 MET H . . 4.260 3.532 2.991 3.818 . 0 0 "[ . 1 . 2]" 1
1249 1 76 GLU H 1 98 MET QB . . 4.570 4.024 3.257 4.524 . 0 0 "[ . 1 . 2]" 1
1250 1 76 GLU H 1 98 MET HG3 . . 5.040 4.871 4.133 5.116 0.076 19 0 "[ . 1 . 2]" 1
1251 1 76 GLU HA 1 76 GLU HB2 . . 2.890 2.387 2.232 2.482 . 0 0 "[ . 1 . 2]" 1
1252 1 76 GLU HA 1 76 GLU HB3 . . 2.890 2.448 2.364 2.968 0.078 10 0 "[ . 1 . 2]" 1
1253 1 76 GLU HA 1 76 GLU HG2 . . 3.710 3.790 3.687 3.903 0.193 19 0 "[ . 1 . 2]" 1
1254 1 76 GLU HA 1 76 GLU HG3 . . 3.820 3.700 2.655 3.851 0.031 7 0 "[ . 1 . 2]" 1
1255 1 76 GLU HA 1 78 ALA H . . 4.340 4.010 3.642 4.396 0.056 9 0 "[ . 1 . 2]" 1
1256 1 76 GLU HA 1 79 LEU H . . 4.000 3.311 2.983 3.704 . 0 0 "[ . 1 . 2]" 1
1257 1 76 GLU HA 1 79 LEU HB2 . . 3.500 2.324 2.133 2.779 . 0 0 "[ . 1 . 2]" 1
1258 1 76 GLU HA 1 79 LEU MD2 . . 4.900 3.069 2.756 3.577 . 0 0 "[ . 1 . 2]" 1
1259 1 76 GLU HA 1 97 PRO HA . . 3.880 3.753 3.156 3.950 0.070 8 0 "[ . 1 . 2]" 1
1260 1 76 GLU HA 1 97 PRO QB . . 3.460 2.923 2.373 3.268 . 0 0 "[ . 1 . 2]" 1
1261 1 76 GLU HA 1 98 MET H . . 4.610 4.458 4.000 4.677 0.067 6 0 "[ . 1 . 2]" 1
1262 1 76 GLU HB3 1 77 GLU H . . 4.060 4.039 2.842 4.128 0.068 4 0 "[ . 1 . 2]" 1
1263 1 76 GLU HG2 1 77 GLU H . . 4.220 2.908 2.418 3.456 . 0 0 "[ . 1 . 2]" 1
1264 1 76 GLU HG2 1 77 GLU HA . . 4.930 4.804 3.697 5.394 0.464 19 0 "[ . 1 . 2]" 1
1265 1 76 GLU HG3 1 77 GLU H . . 3.760 2.613 2.103 3.829 0.069 10 0 "[ . 1 . 2]" 1
1266 1 77 GLU H 1 77 GLU HB2 . . 2.920 2.115 2.004 2.238 . 0 0 "[ . 1 . 2]" 1
1267 1 77 GLU H 1 77 GLU HB3 . . 3.340 3.076 2.377 3.426 0.086 7 0 "[ . 1 . 2]" 1
1268 1 77 GLU H 1 77 GLU QG . . 3.640 3.287 2.229 3.746 0.106 3 0 "[ . 1 . 2]" 1
1269 1 77 GLU H 1 78 ALA H . . 3.370 2.699 2.472 2.888 . 0 0 "[ . 1 . 2]" 1
1270 1 77 GLU H 1 78 ALA HA . . 5.420 5.364 5.163 5.488 0.068 10 0 "[ . 1 . 2]" 1
1271 1 77 GLU H 1 78 ALA MB . . 4.860 4.393 4.070 4.667 . 0 0 "[ . 1 . 2]" 1
1272 1 77 GLU H 1 79 LEU H . . 4.680 4.021 3.823 4.252 . 0 0 "[ . 1 . 2]" 1
1273 1 77 GLU HA 1 77 GLU QG . . 3.460 2.265 2.068 2.619 . 0 0 "[ . 1 . 2]" 1
1274 1 77 GLU HA 1 79 LEU H . . 4.340 4.008 3.619 4.225 . 0 0 "[ . 1 . 2]" 1
1275 1 77 GLU HA 1 80 ASP H . . 5.500 5.336 4.910 5.576 0.076 11 0 "[ . 1 . 2]" 1
1276 1 77 GLU HB2 1 78 ALA H . . 4.290 3.505 2.738 4.119 . 0 0 "[ . 1 . 2]" 1
1277 1 77 GLU HB3 1 78 ALA H . . 4.680 3.313 2.600 3.857 . 0 0 "[ . 1 . 2]" 1
1278 1 77 GLU QG 1 78 ALA H . . 4.860 4.454 4.094 4.938 0.078 19 0 "[ . 1 . 2]" 1
1279 1 78 ALA H 1 78 ALA MB . . 3.190 2.318 2.242 2.525 . 0 0 "[ . 1 . 2]" 1
1280 1 78 ALA H 1 79 LEU H . . 3.030 2.332 2.030 2.534 . 0 0 "[ . 1 . 2]" 1
1281 1 78 ALA H 1 79 LEU HA . . 4.850 4.521 4.332 4.700 . 0 0 "[ . 1 . 2]" 1
1282 1 78 ALA H 1 79 LEU HB2 . . 4.530 4.156 3.920 4.475 . 0 0 "[ . 1 . 2]" 1
1283 1 78 ALA H 1 79 LEU HB3 . . 4.920 4.830 4.410 4.991 0.071 14 0 "[ . 1 . 2]" 1
1284 1 78 ALA HA 1 80 ASP H . . 5.010 4.499 3.915 5.069 0.059 16 0 "[ . 1 . 2]" 1
1285 1 78 ALA HA 1 81 ARG H . . 4.070 3.537 3.172 3.845 . 0 0 "[ . 1 . 2]" 1
1286 1 78 ALA HA 1 81 ARG HB2 . . 4.120 2.479 2.152 3.276 . 0 0 "[ . 1 . 2]" 1
1287 1 78 ALA HA 1 81 ARG HB3 . . 4.330 3.230 2.370 4.423 0.093 18 0 "[ . 1 . 2]" 1
1288 1 78 ALA HA 1 81 ARG QD . . 4.070 2.848 2.261 4.038 . 0 0 "[ . 1 . 2]" 1
1289 1 78 ALA HA 1 81 ARG HG3 . . 4.750 4.331 1.996 4.938 0.188 3 0 "[ . 1 . 2]" 1
1290 1 78 ALA MB 1 79 LEU H . . 3.940 3.246 2.941 3.411 . 0 0 "[ . 1 . 2]" 1
1291 1 78 ALA MB 1 79 LEU HA . . 5.280 3.793 3.620 3.931 . 0 0 "[ . 1 . 2]" 1
1292 1 78 ALA MB 1 81 ARG H . . 4.820 4.434 4.172 4.784 . 0 0 "[ . 1 . 2]" 1
1293 1 78 ALA MB 1 82 TYR H . . 4.550 3.781 3.385 4.008 . 0 0 "[ . 1 . 2]" 1
1294 1 79 LEU H 1 79 LEU HB2 . . 3.100 2.339 2.180 2.487 . 0 0 "[ . 1 . 2]" 1
1295 1 79 LEU H 1 79 LEU HB3 . . 3.270 2.611 2.472 2.770 . 0 0 "[ . 1 . 2]" 1
1296 1 79 LEU H 1 79 LEU MD1 . . 4.310 3.997 3.688 4.128 . 0 0 "[ . 1 . 2]" 1
1297 1 79 LEU H 1 79 LEU MD2 . . 4.190 4.198 4.083 4.288 0.098 19 0 "[ . 1 . 2]" 1
1298 1 79 LEU H 1 80 ASP H . . 3.640 3.005 2.781 3.262 . 0 0 "[ . 1 . 2]" 1
1299 1 79 LEU H 1 81 ARG H . . 5.500 4.134 3.853 4.460 . 0 0 "[ . 1 . 2]" 1
1300 1 79 LEU HA 1 79 LEU MD1 . . 3.150 2.158 2.096 2.222 . 0 0 "[ . 1 . 2]" 1
1301 1 79 LEU HA 1 79 LEU MD2 . . 3.790 3.844 3.747 3.871 0.081 4 0 "[ . 1 . 2]" 1
1302 1 79 LEU HA 1 79 LEU HG . . 3.870 3.094 2.585 3.283 . 0 0 "[ . 1 . 2]" 1
1303 1 79 LEU HA 1 81 ARG H . . 4.630 4.450 4.091 4.685 0.055 9 0 "[ . 1 . 2]" 1
1304 1 79 LEU HA 1 82 TYR H . . 4.170 3.830 3.536 4.159 . 0 0 "[ . 1 . 2]" 1
1305 1 79 LEU HA 1 82 TYR QB . . 4.420 3.445 2.832 4.331 . 0 0 "[ . 1 . 2]" 1
1306 1 79 LEU HB2 1 79 LEU MD2 . . 3.650 2.372 2.280 2.556 . 0 0 "[ . 1 . 2]" 1
1307 1 79 LEU HB2 1 80 ASP H . . 3.830 3.817 3.574 3.898 0.068 9 0 "[ . 1 . 2]" 1
1308 1 79 LEU HB3 1 79 LEU MD2 . . 3.270 2.321 2.253 2.418 . 0 0 "[ . 1 . 2]" 1
1309 1 79 LEU HB3 1 80 ASP H . . 3.220 2.512 2.130 2.827 . 0 0 "[ . 1 . 2]" 1
1310 1 79 LEU HB3 1 80 ASP QB . . 4.660 3.863 3.437 4.139 . 0 0 "[ . 1 . 2]" 1
1311 1 79 LEU MD1 1 80 ASP H . . 4.990 4.532 4.161 4.914 . 0 0 "[ . 1 . 2]" 1
1312 1 79 LEU MD1 1 83 ARG QD . . 4.270 3.789 2.982 4.347 0.077 18 0 "[ . 1 . 2]" 1
1313 1 79 LEU MD1 1 96 GLN HA . . 3.540 2.905 2.297 3.277 . 0 0 "[ . 1 . 2]" 1
1314 1 79 LEU MD1 1 97 PRO HA . . 3.920 2.847 2.220 3.682 . 0 0 "[ . 1 . 2]" 1
1315 1 79 LEU MD1 1 97 PRO QB . . 4.410 3.257 2.172 4.088 . 0 0 "[ . 1 . 2]" 1
1316 1 79 LEU MD1 1 97 PRO HD2 . . 4.380 3.918 3.258 4.341 . 0 0 "[ . 1 . 2]" 1
1317 1 79 LEU MD1 1 97 PRO HD3 . . 3.800 2.698 2.075 3.245 . 0 0 "[ . 1 . 2]" 1
1318 1 79 LEU MD1 1 97 PRO HG2 . . 5.370 4.885 4.158 5.454 0.084 8 0 "[ . 1 . 2]" 1
1319 1 79 LEU MD1 1 97 PRO HG3 . . 4.880 4.320 3.384 4.949 0.069 5 0 "[ . 1 . 2]" 1
1320 1 79 LEU MD1 1 98 MET H . . 5.200 4.826 4.151 5.296 0.096 8 0 "[ . 1 . 2]" 1
1321 1 79 LEU MD2 1 80 ASP H . . 4.470 4.238 3.763 4.531 0.061 3 0 "[ . 1 . 2]" 1
1322 1 79 LEU MD2 1 83 ARG QD . . 4.670 4.190 3.341 4.783 0.113 2 0 "[ . 1 . 2]" 1
1323 1 79 LEU MD2 1 96 GLN HA . . 4.100 3.918 3.491 4.178 0.078 13 0 "[ . 1 . 2]" 1
1324 1 79 LEU MD2 1 97 PRO HA . . 4.400 3.553 2.839 4.406 0.006 19 0 "[ . 1 . 2]" 1
1325 1 79 LEU MD2 1 97 PRO HD2 . . 4.090 3.848 3.527 4.137 0.047 13 0 "[ . 1 . 2]" 1
1326 1 79 LEU MD2 1 97 PRO HD3 . . 3.560 2.371 2.061 2.644 . 0 0 "[ . 1 . 2]" 1
1327 1 79 LEU MD2 1 97 PRO HG2 . . 4.420 4.304 3.987 4.503 0.083 19 0 "[ . 1 . 2]" 1
1328 1 79 LEU MD2 1 97 PRO HG3 . . 4.140 3.141 2.801 3.419 . 0 0 "[ . 1 . 2]" 1
1329 1 79 LEU HG 1 80 ASP H . . 4.460 3.777 3.190 4.383 . 0 0 "[ . 1 . 2]" 1
1330 1 79 LEU HG 1 80 ASP HA . . 4.900 3.894 3.427 4.441 . 0 0 "[ . 1 . 2]" 1
1331 1 79 LEU HG 1 83 ARG H . . 5.120 5.039 4.576 5.208 0.088 18 0 "[ . 1 . 2]" 1
1332 1 79 LEU HG 1 83 ARG QD . . 4.470 3.475 2.761 4.216 . 0 0 "[ . 1 . 2]" 1
1333 1 80 ASP H 1 80 ASP QB . . 2.930 2.217 2.100 2.316 . 0 0 "[ . 1 . 2]" 1
1334 1 80 ASP H 1 81 ARG H . . 3.200 2.475 2.215 2.680 . 0 0 "[ . 1 . 2]" 1
1335 1 80 ASP H 1 81 ARG HA . . 5.390 5.146 4.881 5.334 . 0 0 "[ . 1 . 2]" 1
1336 1 80 ASP H 1 83 ARG H . . 4.990 4.783 4.621 5.060 0.070 18 0 "[ . 1 . 2]" 1
1337 1 80 ASP HA 1 83 ARG H . . 3.610 3.279 2.874 3.553 . 0 0 "[ . 1 . 2]" 1
1338 1 80 ASP HA 1 83 ARG HB2 . . 3.380 2.316 2.105 2.713 . 0 0 "[ . 1 . 2]" 1
1339 1 80 ASP HA 1 83 ARG HB3 . . 3.840 3.849 3.659 3.926 0.086 14 0 "[ . 1 . 2]" 1
1340 1 80 ASP HA 1 83 ARG QD . . 3.990 3.366 2.588 4.075 0.085 6 0 "[ . 1 . 2]" 1
1341 1 80 ASP QB 1 81 ARG H . . 3.630 2.685 2.370 3.009 . 0 0 "[ . 1 . 2]" 1
1342 1 80 ASP QB 1 81 ARG HA . . 4.490 4.048 3.755 4.241 . 0 0 "[ . 1 . 2]" 1
1343 1 80 ASP QB 1 84 ARG H . . 5.500 5.158 4.809 5.284 . 0 0 "[ . 1 . 2]" 1
1344 1 80 ASP QB 1 84 ARG QD . . 4.590 4.045 3.440 4.425 . 0 0 "[ . 1 . 2]" 1
1345 1 81 ARG H 1 81 ARG HB2 . . 3.170 2.127 1.965 2.626 . 0 0 "[ . 1 . 2]" 1
1346 1 81 ARG H 1 81 ARG HB3 . . 3.370 3.156 2.747 3.458 0.088 18 0 "[ . 1 . 2]" 1
1347 1 81 ARG H 1 81 ARG HG2 . . 4.430 4.268 2.222 4.514 0.084 5 0 "[ . 1 . 2]" 1
1348 1 81 ARG H 1 81 ARG HG3 . . 4.270 3.671 2.856 4.414 0.144 3 0 "[ . 1 . 2]" 1
1349 1 81 ARG H 1 82 TYR H . . 3.330 2.919 2.573 3.160 . 0 0 "[ . 1 . 2]" 1
1350 1 81 ARG H 1 82 TYR QB . . 5.210 4.773 4.334 5.062 . 0 0 "[ . 1 . 2]" 1
1351 1 81 ARG HA 1 81 ARG QD . . 4.600 3.859 2.376 4.124 . 0 0 "[ . 1 . 2]" 1
1352 1 81 ARG HA 1 81 ARG HG2 . . 3.800 2.790 2.378 3.596 . 0 0 "[ . 1 . 2]" 1
1353 1 81 ARG HA 1 81 ARG HG3 . . 3.510 2.561 2.148 3.872 0.362 18 0 "[ . 1 . 2]" 1
1354 1 81 ARG HA 1 84 ARG H . . 4.390 3.629 3.360 3.998 . 0 0 "[ . 1 . 2]" 1
1355 1 81 ARG HA 1 84 ARG HB2 . . 4.680 3.861 2.602 5.373 0.693 9 5 "[ .* +* * . -]" 1
1356 1 81 ARG HA 1 84 ARG QD . . 5.020 3.287 2.165 4.085 . 0 0 "[ . 1 . 2]" 1
1357 1 81 ARG HA 1 84 ARG HG2 . . 5.330 4.326 2.264 5.927 0.597 14 2 "[ . 1 +. - 2]" 1
1358 1 81 ARG HB2 1 82 TYR H . . 3.880 3.154 2.317 3.839 . 0 0 "[ . 1 . 2]" 1
1359 1 81 ARG HB3 1 82 TYR H . . 3.820 2.677 2.130 3.413 . 0 0 "[ . 1 . 2]" 1
1360 1 81 ARG HG2 1 82 TYR H . . 5.320 4.590 3.694 4.977 . 0 0 "[ . 1 . 2]" 1
1361 1 82 TYR H 1 82 TYR QB . . 3.280 2.277 2.118 2.443 . 0 0 "[ . 1 . 2]" 1
1362 1 82 TYR H 1 95 ILE MG . . 5.500 4.984 4.216 5.405 . 0 0 "[ . 1 . 2]" 1
1363 1 82 TYR HA 1 84 ARG H . . 5.140 4.156 3.758 4.675 . 0 0 "[ . 1 . 2]" 1
1364 1 82 TYR HA 1 85 ASP H . . 4.310 3.694 3.254 4.371 0.061 20 0 "[ . 1 . 2]" 1
1365 1 82 TYR HA 1 85 ASP HB2 . . 3.730 2.896 2.232 3.453 . 0 0 "[ . 1 . 2]" 1
1366 1 82 TYR HA 1 88 TRP QB . . 4.520 3.530 2.948 4.353 . 0 0 "[ . 1 . 2]" 1
1367 1 82 TYR HA 1 95 ILE MD . . 5.300 4.647 4.298 4.998 . 0 0 "[ . 1 . 2]" 1
1368 1 82 TYR QB 1 83 ARG H . . 3.770 2.784 2.547 3.494 . 0 0 "[ . 1 . 2]" 1
1369 1 82 TYR QB 1 88 TRP QB . . 4.470 3.191 2.569 4.367 . 0 0 "[ . 1 . 2]" 1
1370 1 82 TYR QB 1 95 ILE MD . . 3.590 2.510 2.163 3.078 . 0 0 "[ . 1 . 2]" 1
1371 1 82 TYR QB 1 95 ILE MG . . 3.900 2.873 2.089 3.550 . 0 0 "[ . 1 . 2]" 1
1372 1 83 ARG H 1 83 ARG HB2 . . 3.350 2.321 2.108 2.591 . 0 0 "[ . 1 . 2]" 1
1373 1 83 ARG H 1 83 ARG HB3 . . 3.830 3.549 3.366 3.663 . 0 0 "[ . 1 . 2]" 1
1374 1 83 ARG H 1 83 ARG QD . . 4.390 4.157 3.810 4.481 0.091 9 0 "[ . 1 . 2]" 1
1375 1 83 ARG H 1 83 ARG HG2 . . 4.180 3.626 3.095 4.199 0.019 18 0 "[ . 1 . 2]" 1
1376 1 83 ARG H 1 83 ARG HG3 . . 3.790 2.731 2.288 3.356 . 0 0 "[ . 1 . 2]" 1
1377 1 83 ARG H 1 84 ARG H . . 3.530 2.772 2.612 3.051 . 0 0 "[ . 1 . 2]" 1
1378 1 83 ARG H 1 84 ARG HG2 . . 5.500 5.442 4.117 6.459 0.959 17 6 "[ **. 1- *.*+ 2]" 1
1379 1 83 ARG H 1 85 ASP H . . 4.660 4.324 4.084 4.711 0.051 20 0 "[ . 1 . 2]" 1
1380 1 83 ARG H 1 95 ILE MD . . 5.500 4.542 3.879 5.075 . 0 0 "[ . 1 . 2]" 1
1381 1 83 ARG H 1 95 ILE MG . . 5.070 4.396 3.775 5.119 0.049 12 0 "[ . 1 . 2]" 1
1382 1 83 ARG HA 1 83 ARG QD . . 4.250 4.037 3.606 4.211 . 0 0 "[ . 1 . 2]" 1
1383 1 83 ARG HA 1 83 ARG HG2 . . 3.530 2.289 2.131 2.527 . 0 0 "[ . 1 . 2]" 1
1384 1 83 ARG HA 1 84 ARG HA . . 4.830 4.668 4.536 4.815 . 0 0 "[ . 1 . 2]" 1
1385 1 83 ARG HA 1 92 ALA MB . . 3.500 3.304 2.840 3.604 0.104 5 0 "[ . 1 . 2]" 1
1386 1 83 ARG HA 1 95 ILE MD . . 4.190 3.808 2.929 4.308 0.118 19 0 "[ . 1 . 2]" 1
1387 1 83 ARG HB2 1 83 ARG QD . . 3.540 2.642 2.388 3.205 . 0 0 "[ . 1 . 2]" 1
1388 1 83 ARG HB2 1 84 ARG H . . 3.490 3.154 2.661 3.556 0.066 2 0 "[ . 1 . 2]" 1
1389 1 83 ARG HB3 1 83 ARG QD . . 3.680 2.644 2.137 3.062 . 0 0 "[ . 1 . 2]" 1
1390 1 83 ARG QD 1 92 ALA MB . . 4.230 3.685 3.046 4.072 . 0 0 "[ . 1 . 2]" 1
1391 1 83 ARG QD 1 95 ILE HB . . 4.940 4.670 3.922 5.034 0.094 19 0 "[ . 1 . 2]" 1
1392 1 83 ARG HG2 1 92 ALA HA . . 4.120 4.008 3.554 4.200 0.080 14 0 "[ . 1 . 2]" 1
1393 1 83 ARG HG2 1 92 ALA MB . . 3.430 2.750 2.214 3.417 . 0 0 "[ . 1 . 2]" 1
1394 1 83 ARG HG3 1 95 ILE MG . . 4.310 3.490 2.397 4.410 0.100 14 0 "[ . 1 . 2]" 1
1395 1 84 ARG H 1 84 ARG HB2 . . 3.140 2.867 2.131 3.729 0.589 2 6 "[ + .* - * * *]" 1
1396 1 84 ARG H 1 84 ARG HB3 . . 3.670 3.198 2.467 3.699 0.029 1 0 "[ . 1 . 2]" 1
1397 1 84 ARG H 1 84 ARG QD . . 5.500 3.891 3.268 4.425 . 0 0 "[ . 1 . 2]" 1
1398 1 84 ARG H 1 84 ARG HG2 . . 3.940 3.144 2.035 3.971 0.031 11 0 "[ . 1 . 2]" 1
1399 1 84 ARG H 1 84 ARG HG3 . . 3.910 3.053 2.503 3.964 0.054 2 0 "[ . 1 . 2]" 1
1400 1 84 ARG H 1 85 ASP H . . 3.230 2.741 2.335 2.980 . 0 0 "[ . 1 . 2]" 1
1401 1 84 ARG H 1 85 ASP HB2 . . 5.030 4.559 4.201 4.996 . 0 0 "[ . 1 . 2]" 1
1402 1 84 ARG HA 1 84 ARG QD . . 4.520 4.079 3.776 4.289 . 0 0 "[ . 1 . 2]" 1
1403 1 84 ARG HA 1 84 ARG HG2 . . 3.680 2.920 2.247 3.804 0.124 9 0 "[ . 1 . 2]" 1
1404 1 84 ARG HA 1 84 ARG HG3 . . 3.750 3.308 2.759 3.805 0.055 2 0 "[ . 1 . 2]" 1
1405 1 84 ARG HA 1 85 ASP H . . 3.340 3.303 3.050 3.418 0.078 18 0 "[ . 1 . 2]" 1
1406 1 84 ARG HB2 1 84 ARG QD . . 3.880 2.486 2.260 2.839 . 0 0 "[ . 1 . 2]" 1
1407 1 84 ARG HB3 1 84 ARG QD . . 3.750 2.430 2.174 2.862 . 0 0 "[ . 1 . 2]" 1
1408 1 85 ASP H 1 85 ASP HB2 . . 3.330 2.428 2.278 2.627 . 0 0 "[ . 1 . 2]" 1
1409 1 85 ASP H 1 85 ASP HB3 . . 3.370 2.596 2.436 2.977 . 0 0 "[ . 1 . 2]" 1
1410 1 85 ASP H 1 88 TRP H . . 5.380 5.109 4.690 5.272 . 0 0 "[ . 1 . 2]" 1
1411 1 85 ASP H 1 88 TRP QB . . 4.310 3.893 3.368 4.104 . 0 0 "[ . 1 . 2]" 1
1412 1 85 ASP H 1 89 GLN H . . 4.290 4.244 3.975 4.373 0.083 5 0 "[ . 1 . 2]" 1
1413 1 85 ASP HA 1 86 TYR H . . 2.850 2.377 2.180 2.637 . 0 0 "[ . 1 . 2]" 1
1414 1 85 ASP HA 1 86 TYR HB2 . . 4.340 4.313 3.995 4.422 0.082 16 0 "[ . 1 . 2]" 1
1415 1 85 ASP HB2 1 86 TYR H . . 4.510 4.016 3.724 4.486 . 0 0 "[ . 1 . 2]" 1
1416 1 85 ASP HB2 1 88 TRP H . . 4.050 3.874 3.549 4.049 . 0 0 "[ . 1 . 2]" 1
1417 1 85 ASP HB2 1 88 TRP QB . . 3.530 2.858 2.647 3.083 . 0 0 "[ . 1 . 2]" 1
1418 1 85 ASP HB2 1 89 GLN H . . 4.540 4.586 4.391 4.630 0.090 5 0 "[ . 1 . 2]" 1
1419 1 85 ASP HB3 1 87 PHE H . . 3.420 3.319 2.882 3.495 0.075 6 0 "[ . 1 . 2]" 1
1420 1 85 ASP HB3 1 88 TRP H . . 3.400 2.555 2.021 2.785 . 0 0 "[ . 1 . 2]" 1
1421 1 85 ASP HB3 1 88 TRP HA . . 4.560 4.421 4.220 4.563 0.003 10 0 "[ . 1 . 2]" 1
1422 1 85 ASP HB3 1 88 TRP QB . . 3.410 2.156 2.034 2.244 . 0 0 "[ . 1 . 2]" 1
1423 1 85 ASP HB3 1 88 TRP HD1 . . 3.790 3.502 2.576 3.846 0.056 12 0 "[ . 1 . 2]" 1
1424 1 85 ASP HB3 1 89 GLN H . . 4.120 2.885 2.647 3.218 . 0 0 "[ . 1 . 2]" 1
1425 1 86 TYR H 1 86 TYR HB2 . . 3.270 2.397 2.093 2.763 . 0 0 "[ . 1 . 2]" 1
1426 1 86 TYR H 1 86 TYR HB3 . . 3.280 2.620 2.372 2.916 . 0 0 "[ . 1 . 2]" 1
1427 1 86 TYR H 1 86 TYR QD . . 4.300 4.166 3.966 4.295 . 0 0 "[ . 1 . 2]" 1
1428 1 86 TYR H 1 87 PHE H . . 3.810 2.569 2.122 2.988 . 0 0 "[ . 1 . 2]" 1
1429 1 86 TYR H 1 88 TRP H . . 5.340 4.326 3.706 4.949 . 0 0 "[ . 1 . 2]" 1
1430 1 86 TYR HA 1 86 TYR QD . . 3.310 2.762 2.092 3.269 . 0 0 "[ . 1 . 2]" 1
1431 1 86 TYR HA 1 89 GLN H . . 5.500 4.618 3.931 5.057 . 0 0 "[ . 1 . 2]" 1
1432 1 86 TYR HA 1 89 GLN QB . . 4.350 4.039 2.921 4.305 . 0 0 "[ . 1 . 2]" 1
1433 1 86 TYR HA 1 89 GLN HE21 . . 3.460 2.687 2.096 3.476 0.016 4 0 "[ . 1 . 2]" 1
1434 1 86 TYR HA 1 89 GLN HE22 . . 3.890 3.414 2.727 3.962 0.072 9 0 "[ . 1 . 2]" 1
1435 1 86 TYR HB2 1 87 PHE H . . 4.150 3.956 3.679 4.238 0.088 8 0 "[ . 1 . 2]" 1
1436 1 86 TYR HB3 1 87 PHE H . . 3.920 2.984 2.343 3.882 . 0 0 "[ . 1 . 2]" 1
1437 1 86 TYR HB3 1 87 PHE HA . . 4.940 4.508 4.214 5.017 0.077 8 0 "[ . 1 . 2]" 1
1438 1 86 TYR QD 1 87 PHE H . . 4.170 3.981 3.377 4.283 0.113 2 0 "[ . 1 . 2]" 1
1439 1 86 TYR QD 1 87 PHE HA . . 4.410 3.826 2.896 4.485 0.075 17 0 "[ . 1 . 2]" 1
1440 1 87 PHE H 1 87 PHE HB2 . . 3.590 2.901 2.470 3.540 . 0 0 "[ . 1 . 2]" 1
1441 1 87 PHE H 1 87 PHE HB3 . . 3.480 2.513 2.236 3.125 . 0 0 "[ . 1 . 2]" 1
1442 1 87 PHE H 1 87 PHE QD . . 4.730 4.268 4.077 4.538 . 0 0 "[ . 1 . 2]" 1
1443 1 87 PHE H 1 88 TRP H . . 3.250 2.457 2.200 2.947 . 0 0 "[ . 1 . 2]" 1
1444 1 87 PHE H 1 88 TRP HA . . 5.350 5.003 4.754 5.404 0.054 18 0 "[ . 1 . 2]" 1
1445 1 87 PHE H 1 88 TRP QB . . 4.830 4.362 4.038 4.872 0.042 5 0 "[ . 1 . 2]" 1
1446 1 87 PHE H 1 88 TRP HD1 . . 5.500 4.285 3.846 4.741 . 0 0 "[ . 1 . 2]" 1
1447 1 87 PHE HA 1 87 PHE QD . . 3.610 2.659 2.237 3.273 . 0 0 "[ . 1 . 2]" 1
1448 1 87 PHE HA 1 87 PHE QE . . 5.310 4.683 4.497 4.942 . 0 0 "[ . 1 . 2]" 1
1449 1 87 PHE HB2 1 88 TRP H . . 3.970 3.753 3.517 3.937 . 0 0 "[ . 1 . 2]" 1
1450 1 87 PHE HB3 1 88 TRP H . . 3.650 2.327 2.114 2.517 . 0 0 "[ . 1 . 2]" 1
1451 1 87 PHE HB3 1 88 TRP HD1 . . 4.070 3.407 2.927 3.983 . 0 0 "[ . 1 . 2]" 1
1452 1 87 PHE QD 1 88 TRP H . . 4.270 3.395 2.751 4.055 . 0 0 "[ . 1 . 2]" 1
1453 1 87 PHE QD 1 88 TRP HA . . 4.130 3.464 2.474 4.212 0.082 17 0 "[ . 1 . 2]" 1
1454 1 87 PHE QD 1 88 TRP HE1 . . 4.650 4.211 3.054 4.737 0.087 3 0 "[ . 1 . 2]" 1
1455 1 87 PHE QD 1 91 TYR QD . . 4.260 4.011 3.515 4.356 0.096 5 0 "[ . 1 . 2]" 1
1456 1 87 PHE QE 1 90 THR MG . . 4.780 3.623 2.439 4.863 0.083 4 0 "[ . 1 . 2]" 1
1457 1 87 PHE QE 1 91 TYR QE . . 2.910 2.725 2.301 3.006 0.096 9 0 "[ . 1 . 2]" 1
1458 1 88 TRP H 1 88 TRP QB . . 3.450 2.429 2.317 2.532 . 0 0 "[ . 1 . 2]" 1
1459 1 88 TRP H 1 88 TRP HD1 . . 4.120 2.657 2.426 2.914 . 0 0 "[ . 1 . 2]" 1
1460 1 88 TRP H 1 89 GLN H . . 3.780 2.969 2.800 3.108 . 0 0 "[ . 1 . 2]" 1
1461 1 88 TRP HA 1 88 TRP HE3 . . 3.330 3.135 2.679 3.399 0.069 19 0 "[ . 1 . 2]" 1
1462 1 88 TRP HA 1 90 THR H . . 4.660 3.958 3.612 4.398 . 0 0 "[ . 1 . 2]" 1
1463 1 88 TRP HA 1 91 TYR QD . . 4.070 2.921 2.254 3.659 . 0 0 "[ . 1 . 2]" 1
1464 1 88 TRP HA 1 95 ILE MD . . 4.950 4.137 3.512 4.786 . 0 0 "[ . 1 . 2]" 1
1465 1 88 TRP QB 1 88 TRP HD1 . . 3.460 2.654 2.560 2.759 . 0 0 "[ . 1 . 2]" 1
1466 1 88 TRP QB 1 88 TRP HE3 . . 3.290 2.585 2.421 2.715 . 0 0 "[ . 1 . 2]" 1
1467 1 88 TRP QB 1 89 GLN H . . 4.230 3.197 2.947 3.368 . 0 0 "[ . 1 . 2]" 1
1468 1 88 TRP QB 1 89 GLN HA . . 4.510 4.307 4.030 4.537 0.027 5 0 "[ . 1 . 2]" 1
1469 1 88 TRP QB 1 95 ILE MD . . 3.680 2.729 2.153 3.097 . 0 0 "[ . 1 . 2]" 1
1470 1 88 TRP HE3 1 91 TYR HB2 . . 3.450 2.713 2.149 3.396 . 0 0 "[ . 1 . 2]" 1
1471 1 88 TRP HE3 1 91 TYR HB3 . . 4.950 3.580 3.025 4.574 . 0 0 "[ . 1 . 2]" 1
1472 1 88 TRP HE3 1 95 ILE MD . . 3.760 2.658 2.062 3.838 0.078 15 0 "[ . 1 . 2]" 1
1473 1 88 TRP HZ3 1 91 TYR HB2 . . 4.600 4.138 3.625 4.669 0.069 8 0 "[ . 1 . 2]" 1
1474 1 89 GLN H 1 89 GLN QB . . 3.320 2.352 2.021 2.951 . 0 0 "[ . 1 . 2]" 1
1475 1 89 GLN H 1 89 GLN HE21 . . 4.420 3.968 3.498 4.496 0.076 18 0 "[ . 1 . 2]" 1
1476 1 89 GLN H 1 89 GLN HG2 . . 3.680 3.249 1.744 3.777 0.097 6 0 "[ . 1 . 2]" 1
1477 1 89 GLN H 1 89 GLN HG3 . . 3.340 2.598 2.242 3.063 . 0 0 "[ . 1 . 2]" 1
1478 1 89 GLN H 1 90 THR H . . 3.440 3.094 2.841 3.271 . 0 0 "[ . 1 . 2]" 1
1479 1 89 GLN H 1 90 THR MG . . 5.500 4.378 3.874 5.013 . 0 0 "[ . 1 . 2]" 1
1480 1 89 GLN H 1 91 TYR H . . 5.500 4.458 4.184 4.659 . 0 0 "[ . 1 . 2]" 1
1481 1 89 GLN HA 1 89 GLN HE21 . . 5.360 4.686 4.430 5.016 . 0 0 "[ . 1 . 2]" 1
1482 1 89 GLN HA 1 89 GLN HG2 . . 3.100 2.512 2.079 3.200 0.100 14 0 "[ . 1 . 2]" 1
1483 1 89 GLN HA 1 89 GLN HG3 . . 3.100 2.872 2.573 3.223 0.123 15 0 "[ . 1 . 2]" 1
1484 1 89 GLN HA 1 90 THR MG . . 5.090 5.075 4.743 5.196 0.106 2 0 "[ . 1 . 2]" 1
1485 1 89 GLN HA 1 91 TYR H . . 4.590 4.270 3.874 4.641 0.051 14 0 "[ . 1 . 2]" 1
1486 1 89 GLN HA 1 92 ALA H . . 4.240 3.715 3.440 4.137 . 0 0 "[ . 1 . 2]" 1
1487 1 89 GLN HA 1 92 ALA MB . . 3.230 2.638 2.140 3.336 0.106 15 0 "[ . 1 . 2]" 1
1488 1 89 GLN QB 1 89 GLN HE21 . . 3.910 2.451 1.905 2.855 . 0 0 "[ . 1 . 2]" 1
1489 1 89 GLN QB 1 89 GLN HE22 . . 4.190 3.507 3.292 3.806 . 0 0 "[ . 1 . 2]" 1
1490 1 89 GLN QB 1 90 THR H . . 3.780 2.716 2.322 3.087 . 0 0 "[ . 1 . 2]" 1
1491 1 89 GLN QB 1 90 THR MG . . 4.920 4.240 3.472 4.499 . 0 0 "[ . 1 . 2]" 1
1492 1 89 GLN HE21 1 90 THR H . . 5.420 5.223 4.324 5.498 0.078 12 0 "[ . 1 . 2]" 1
1493 1 89 GLN HG2 1 90 THR H . . 4.860 4.584 3.432 5.217 0.357 4 0 "[ . 1 . 2]" 1
1494 1 89 GLN HG3 1 90 THR H . . 5.500 4.090 1.801 5.127 . 0 0 "[ . 1 . 2]" 1
1495 1 90 THR H 1 90 THR HB . . 3.240 2.481 2.148 3.325 0.085 4 0 "[ . 1 . 2]" 1
1496 1 90 THR H 1 90 THR MG . . 3.710 2.224 1.848 2.617 . 0 0 "[ . 1 . 2]" 1
1497 1 90 THR H 1 91 TYR QD . . 5.440 4.242 3.523 4.879 . 0 0 "[ . 1 . 2]" 1
1498 1 90 THR HA 1 90 THR MG . . 3.230 3.188 2.191 3.263 0.033 19 0 "[ . 1 . 2]" 1
1499 1 90 THR HA 1 92 ALA H . . 4.210 3.727 3.561 4.083 . 0 0 "[ . 1 . 2]" 1
1500 1 90 THR HB 1 91 TYR QD . . 4.900 4.865 3.669 5.007 0.107 17 0 "[ . 1 . 2]" 1
1501 1 90 THR MG 1 91 TYR H . . 4.830 2.510 2.104 3.982 . 0 0 "[ . 1 . 2]" 1
1502 1 90 THR MG 1 91 TYR QD . . 4.440 2.365 2.070 4.416 . 0 0 "[ . 1 . 2]" 1
1503 1 90 THR MG 1 91 TYR QE . . 4.340 2.853 2.351 4.449 0.109 4 0 "[ . 1 . 2]" 1
1504 1 90 THR MG 1 92 ALA H . . 5.500 4.558 4.306 5.078 . 0 0 "[ . 1 . 2]" 1
1505 1 91 TYR H 1 91 TYR HB2 . . 3.570 2.407 2.264 2.596 . 0 0 "[ . 1 . 2]" 1
1506 1 91 TYR H 1 91 TYR HB3 . . 3.900 3.605 3.507 3.741 . 0 0 "[ . 1 . 2]" 1
1507 1 91 TYR H 1 91 TYR QD . . 3.630 2.703 2.237 3.294 . 0 0 "[ . 1 . 2]" 1
1508 1 91 TYR H 1 91 TYR QE . . 5.500 4.724 4.112 5.210 . 0 0 "[ . 1 . 2]" 1
1509 1 91 TYR H 1 92 ALA H . . 3.110 2.763 2.320 2.993 . 0 0 "[ . 1 . 2]" 1
1510 1 91 TYR H 1 92 ALA MB . . 4.750 4.223 3.825 4.496 . 0 0 "[ . 1 . 2]" 1
1511 1 91 TYR H 1 95 ILE MD . . 4.790 4.149 3.572 4.707 . 0 0 "[ . 1 . 2]" 1
1512 1 91 TYR HA 1 91 TYR QD . . 3.330 2.821 2.360 3.117 . 0 0 "[ . 1 . 2]" 1
1513 1 91 TYR HA 1 91 TYR QE . . 4.780 4.521 4.223 4.836 0.056 8 0 "[ . 1 . 2]" 1
1514 1 91 TYR HA 1 93 ALA H . . 4.340 3.439 2.910 3.769 . 0 0 "[ . 1 . 2]" 1
1515 1 91 TYR HA 1 94 TRP H . . 5.170 4.051 3.795 4.346 . 0 0 "[ . 1 . 2]" 1
1516 1 91 TYR HA 1 94 TRP HE3 . . 3.340 2.274 2.070 2.613 . 0 0 "[ . 1 . 2]" 1
1517 1 91 TYR HA 1 94 TRP HZ3 . . 3.540 2.354 2.051 2.991 . 0 0 "[ . 1 . 2]" 1
1518 1 91 TYR HB2 1 92 ALA H . . 4.900 3.982 3.695 4.155 . 0 0 "[ . 1 . 2]" 1
1519 1 91 TYR HB2 1 95 ILE MD . . 3.690 3.071 2.235 3.770 0.080 18 0 "[ . 1 . 2]" 1
1520 1 91 TYR HB2 1 95 ILE HG13 . . 5.150 4.275 3.680 4.776 . 0 0 "[ . 1 . 2]" 1
1521 1 91 TYR QD 1 92 ALA H . . 5.500 4.971 4.792 5.164 . 0 0 "[ . 1 . 2]" 1
1522 1 91 TYR QD 1 94 TRP HE3 . . 4.000 2.969 2.421 4.060 0.060 20 0 "[ . 1 . 2]" 1
1523 1 92 ALA H 1 92 ALA MB . . 2.990 2.229 2.181 2.257 . 0 0 "[ . 1 . 2]" 1
1524 1 92 ALA H 1 93 ALA H . . 3.650 2.687 2.594 2.810 . 0 0 "[ . 1 . 2]" 1
1525 1 92 ALA H 1 93 ALA HA . . 5.110 5.191 5.170 5.198 0.088 10 0 "[ . 1 . 2]" 1
1526 1 92 ALA H 1 94 TRP HE3 . . 4.650 4.578 4.175 4.720 0.070 16 0 "[ . 1 . 2]" 1
1527 1 92 ALA H 1 95 ILE MD . . 4.920 3.726 3.423 3.954 . 0 0 "[ . 1 . 2]" 1
1528 1 92 ALA H 1 95 ILE HG13 . . 5.280 4.863 4.528 5.272 . 0 0 "[ . 1 . 2]" 1
1529 1 92 ALA HA 1 95 ILE H . . 3.960 3.310 2.782 3.825 . 0 0 "[ . 1 . 2]" 1
1530 1 92 ALA HA 1 95 ILE HB . . 3.600 2.660 2.178 3.145 . 0 0 "[ . 1 . 2]" 1
1531 1 92 ALA HA 1 95 ILE MD . . 3.160 2.098 1.969 2.309 . 0 0 "[ . 1 . 2]" 1
1532 1 92 ALA HA 1 95 ILE HG12 . . 4.870 4.241 3.718 4.630 . 0 0 "[ . 1 . 2]" 1
1533 1 92 ALA HA 1 95 ILE HG13 . . 4.070 2.934 2.209 3.518 . 0 0 "[ . 1 . 2]" 1
1534 1 92 ALA HA 1 95 ILE MG . . 4.890 3.955 3.555 4.386 . 0 0 "[ . 1 . 2]" 1
1535 1 92 ALA MB 1 93 ALA H . . 3.560 3.043 2.596 3.452 . 0 0 "[ . 1 . 2]" 1
1536 1 92 ALA MB 1 93 ALA HA . . 4.720 4.001 3.654 4.245 . 0 0 "[ . 1 . 2]" 1
1537 1 92 ALA MB 1 93 ALA MB . . 5.020 4.101 3.684 4.378 . 0 0 "[ . 1 . 2]" 1
1538 1 92 ALA MB 1 94 TRP H . . 5.260 4.396 4.176 4.625 . 0 0 "[ . 1 . 2]" 1
1539 1 92 ALA MB 1 95 ILE H . . 5.080 4.387 4.071 4.721 . 0 0 "[ . 1 . 2]" 1
1540 1 92 ALA MB 1 95 ILE MD . . 5.110 3.053 2.583 3.434 . 0 0 "[ . 1 . 2]" 1
1541 1 93 ALA H 1 93 ALA MB . . 3.280 2.250 2.169 2.356 . 0 0 "[ . 1 . 2]" 1
1542 1 93 ALA H 1 94 TRP HB2 . . 5.500 4.952 4.500 5.309 . 0 0 "[ . 1 . 2]" 1
1543 1 93 ALA H 1 95 ILE H . . 4.530 4.363 4.004 4.612 0.082 7 0 "[ . 1 . 2]" 1
1544 1 93 ALA HA 1 95 ILE H . . 4.520 4.179 3.806 4.549 0.029 1 0 "[ . 1 . 2]" 1
1545 1 93 ALA MB 1 94 TRP H . . 4.450 3.204 2.993 3.461 . 0 0 "[ . 1 . 2]" 1
1546 1 93 ALA MB 1 94 TRP HE1 . . 5.310 4.555 3.880 5.034 . 0 0 "[ . 1 . 2]" 1
1547 1 93 ALA MB 1 94 TRP HE3 . . 5.180 3.103 2.770 3.450 . 0 0 "[ . 1 . 2]" 1
1548 1 93 ALA MB 1 94 TRP HH2 . . 4.410 3.636 3.466 3.840 . 0 0 "[ . 1 . 2]" 1
1549 1 93 ALA MB 1 94 TRP HZ2 . . 4.140 3.932 3.480 4.231 0.091 2 0 "[ . 1 . 2]" 1
1550 1 93 ALA MB 1 94 TRP HZ3 . . 4.650 3.186 2.770 3.561 . 0 0 "[ . 1 . 2]" 1
1551 1 94 TRP H 1 94 TRP HB2 . . 3.760 2.624 2.500 2.789 . 0 0 "[ . 1 . 2]" 1
1552 1 94 TRP H 1 94 TRP HB3 . . 4.090 3.758 3.679 3.834 . 0 0 "[ . 1 . 2]" 1
1553 1 94 TRP H 1 94 TRP HE3 . . 3.660 2.730 2.196 3.098 . 0 0 "[ . 1 . 2]" 1
1554 1 94 TRP H 1 95 ILE H . . 3.240 2.282 1.925 2.692 . 0 0 "[ . 1 . 2]" 1
1555 1 94 TRP H 1 95 ILE HB . . 4.700 4.162 3.777 4.473 . 0 0 "[ . 1 . 2]" 1
1556 1 94 TRP H 1 95 ILE MD . . 4.200 4.242 4.011 4.309 0.109 15 0 "[ . 1 . 2]" 1
1557 1 94 TRP H 1 95 ILE HG13 . . 4.610 3.227 2.972 3.710 . 0 0 "[ . 1 . 2]" 1
1558 1 94 TRP HA 1 94 TRP HD1 . . 3.600 3.210 2.878 3.641 0.041 19 0 "[ . 1 . 2]" 1
1559 1 94 TRP HA 1 94 TRP HE3 . . 4.710 4.602 4.347 4.776 0.066 11 0 "[ . 1 . 2]" 1
1560 1 94 TRP HB2 1 94 TRP HD1 . . 3.880 3.801 3.665 3.873 . 0 0 "[ . 1 . 2]" 1
1561 1 94 TRP HB2 1 94 TRP HE3 . . 3.550 2.615 2.487 2.834 . 0 0 "[ . 1 . 2]" 1
1562 1 94 TRP HB2 1 95 ILE H . . 4.820 3.856 3.343 4.280 . 0 0 "[ . 1 . 2]" 1
1563 1 94 TRP HB3 1 94 TRP HD1 . . 3.520 2.663 2.535 2.772 . 0 0 "[ . 1 . 2]" 1
1564 1 94 TRP HB3 1 95 ILE H . . 4.920 4.445 4.138 4.567 . 0 0 "[ . 1 . 2]" 1
1565 1 95 ILE H 1 95 ILE HB . . 3.340 2.448 2.106 2.611 . 0 0 "[ . 1 . 2]" 1
1566 1 95 ILE H 1 95 ILE MD . . 4.370 3.797 3.349 4.154 . 0 0 "[ . 1 . 2]" 1
1567 1 95 ILE H 1 95 ILE HG12 . . 4.570 3.924 3.653 4.302 . 0 0 "[ . 1 . 2]" 1
1568 1 95 ILE H 1 95 ILE HG13 . . 3.950 2.711 2.402 3.196 . 0 0 "[ . 1 . 2]" 1
1569 1 95 ILE H 1 95 ILE MG . . 4.300 3.796 3.600 3.888 . 0 0 "[ . 1 . 2]" 1
1570 1 95 ILE H 1 96 GLN H . . 4.940 4.408 4.095 4.693 . 0 0 "[ . 1 . 2]" 1
1571 1 95 ILE HA 1 95 ILE MD . . 4.460 3.855 3.770 4.011 . 0 0 "[ . 1 . 2]" 1
1572 1 95 ILE HA 1 95 ILE HG12 . . 3.920 2.527 2.341 2.797 . 0 0 "[ . 1 . 2]" 1
1573 1 95 ILE HA 1 95 ILE HG13 . . 3.900 2.872 2.636 3.052 . 0 0 "[ . 1 . 2]" 1
1574 1 95 ILE HA 1 95 ILE MG . . 3.460 2.500 2.319 2.753 . 0 0 "[ . 1 . 2]" 1
1575 1 95 ILE HA 1 96 GLN H . . 2.910 2.195 2.089 2.288 . 0 0 "[ . 1 . 2]" 1
1576 1 95 ILE HA 1 96 GLN HA . . 4.730 4.465 4.400 4.527 . 0 0 "[ . 1 . 2]" 1
1577 1 95 ILE MD 1 95 ILE MG . . 3.360 2.130 2.077 2.184 . 0 0 "[ . 1 . 2]" 1
1578 1 95 ILE MG 1 96 GLN H . . 3.530 2.944 2.422 3.551 0.021 19 0 "[ . 1 . 2]" 1
1579 1 95 ILE MG 1 96 GLN HA . . 4.420 3.560 2.999 4.235 . 0 0 "[ . 1 . 2]" 1
1580 1 96 GLN H 1 96 GLN HB2 . . 3.810 3.756 3.630 3.871 0.061 1 0 "[ . 1 . 2]" 1
1581 1 96 GLN H 1 96 GLN HB3 . . 4.040 3.553 3.217 3.806 . 0 0 "[ . 1 . 2]" 1
1582 1 96 GLN H 1 96 GLN HG2 . . 4.420 2.721 2.284 3.108 . 0 0 "[ . 1 . 2]" 1
1583 1 96 GLN H 1 96 GLN HG3 . . 3.910 2.722 2.269 3.955 0.045 7 0 "[ . 1 . 2]" 1
1584 1 96 GLN H 1 97 PRO HD2 . . 5.500 4.846 4.788 4.906 . 0 0 "[ . 1 . 2]" 1
1585 1 96 GLN H 1 97 PRO HD3 . . 5.500 5.081 4.860 5.229 . 0 0 "[ . 1 . 2]" 1
1586 1 96 GLN HA 1 96 GLN HE21 . . 5.490 4.579 4.168 5.230 . 0 0 "[ . 1 . 2]" 1
1587 1 96 GLN HA 1 96 GLN HG2 . . 4.000 3.748 3.574 3.891 . 0 0 "[ . 1 . 2]" 1
1588 1 96 GLN HA 1 96 GLN HG3 . . 4.010 3.831 3.702 4.107 0.097 7 0 "[ . 1 . 2]" 1
1589 1 96 GLN HA 1 97 PRO HD2 . . 3.380 2.491 2.345 2.626 . 0 0 "[ . 1 . 2]" 1
1590 1 96 GLN HA 1 97 PRO HD3 . . 3.310 2.560 2.392 2.701 . 0 0 "[ . 1 . 2]" 1
1591 1 96 GLN HA 1 97 PRO HG3 . . 5.500 4.721 4.570 4.821 . 0 0 "[ . 1 . 2]" 1
1592 1 96 GLN HB2 1 97 PRO HA . . 4.910 4.701 4.620 4.805 . 0 0 "[ . 1 . 2]" 1
1593 1 96 GLN HB2 1 97 PRO HD2 . . 3.850 2.091 1.979 2.234 . 0 0 "[ . 1 . 2]" 1
1594 1 96 GLN HB2 1 97 PRO HD3 . . 4.420 3.564 3.466 3.703 . 0 0 "[ . 1 . 2]" 1
1595 1 96 GLN HB3 1 96 GLN HE21 . . 3.900 2.638 2.016 3.954 0.054 8 0 "[ . 1 . 2]" 1
1596 1 96 GLN HB3 1 97 PRO HD2 . . 3.520 2.951 2.599 3.109 . 0 0 "[ . 1 . 2]" 1
1597 1 96 GLN HB3 1 97 PRO HD3 . . 4.140 4.121 3.720 4.218 0.078 13 0 "[ . 1 . 2]" 1
1598 1 96 GLN HG2 1 97 PRO HD2 . . 4.810 4.858 4.729 4.893 0.083 20 0 "[ . 1 . 2]" 1
1599 1 96 GLN HG3 1 97 PRO HD2 . . 4.610 4.417 4.286 4.653 0.043 14 0 "[ . 1 . 2]" 1
1600 1 97 PRO HA 1 98 MET H . . 2.730 2.316 2.028 2.522 . 0 0 "[ . 1 . 2]" 1
1601 1 97 PRO HA 1 98 MET QB . . 5.120 4.271 3.973 4.522 . 0 0 "[ . 1 . 2]" 1
1602 1 97 PRO QB 1 98 MET H . . 3.870 2.672 2.360 3.035 . 0 0 "[ . 1 . 2]" 1
1603 1 97 PRO HB2 1 98 MET H . . 3.650 2.783 2.414 3.181 . 0 0 "[ . 1 . 2]" 1
1604 1 98 MET H 1 98 MET QB . . 3.320 2.339 2.052 2.616 . 0 0 "[ . 1 . 2]" 1
1605 1 98 MET H 1 98 MET HG2 . . 3.890 3.299 2.264 3.936 0.046 17 0 "[ . 1 . 2]" 1
1606 1 98 MET H 1 98 MET HG3 . . 3.690 3.102 2.616 3.724 0.034 7 0 "[ . 1 . 2]" 1
1607 1 98 MET HA 1 98 MET HG2 . . 4.070 2.846 2.158 4.050 . 0 0 "[ . 1 . 2]" 1
1608 1 98 MET HA 1 98 MET HG3 . . 4.160 3.324 2.871 3.705 . 0 0 "[ . 1 . 2]" 1
1609 1 98 MET HA 1 99 GLU H . . 2.630 2.504 2.239 2.693 0.063 17 0 "[ . 1 . 2]" 1
1610 1 98 MET QB 1 99 GLU H . . 3.310 2.357 1.843 3.014 . 0 0 "[ . 1 . 2]" 1
1611 1 98 MET ME 1 98 MET HG2 . . 3.540 3.006 2.562 3.398 . 0 0 "[ . 1 . 2]" 1
1612 1 98 MET HG2 1 99 GLU H . . 3.740 3.963 3.241 4.677 0.937 12 7 "[ . * *1*+ ** - 2]" 1
1613 1 98 MET HG3 1 99 GLU H . . 4.700 4.133 2.940 4.763 0.063 8 0 "[ . 1 . 2]" 1
1614 1 99 GLU H 1 99 GLU HB2 . . 3.650 2.906 2.237 3.735 0.085 18 0 "[ . 1 . 2]" 1
1615 1 99 GLU H 1 99 GLU HB3 . . 3.280 3.393 2.640 3.732 0.452 3 0 "[ . 1 . 2]" 1
1616 1 99 GLU H 1 99 GLU QG . . 3.710 2.991 1.980 3.810 0.100 19 0 "[ . 1 . 2]" 1
1617 1 99 GLU H 1 100 GLN H . . 4.330 4.309 4.199 4.403 0.073 4 0 "[ . 1 . 2]" 1
1618 1 99 GLU HA 1 99 GLU QG . . 3.290 2.669 2.114 3.376 0.086 12 0 "[ . 1 . 2]" 1
1619 1 99 GLU HA 1 100 GLN H . . 2.750 2.639 2.362 2.822 0.072 13 0 "[ . 1 . 2]" 1
1620 1 99 GLU HB2 1 100 GLN H . . 3.860 3.045 2.001 3.915 0.055 4 0 "[ . 1 . 2]" 1
1621 1 99 GLU HB3 1 99 GLU QG . . 2.790 2.428 2.320 2.564 . 0 0 "[ . 1 . 2]" 1
1622 1 99 GLU HB3 1 100 GLN H . . 3.540 2.606 1.975 3.604 0.064 20 0 "[ . 1 . 2]" 1
1623 1 99 GLU QG 1 100 GLN H . . 4.020 3.343 1.864 4.104 0.084 13 0 "[ . 1 . 2]" 1
1624 1 100 GLN H 1 100 GLN HB2 . . 4.110 3.071 2.472 3.827 . 0 0 "[ . 1 . 2]" 1
1625 1 100 GLN H 1 100 GLN QG . . 4.090 3.222 2.175 4.169 0.079 13 0 "[ . 1 . 2]" 1
1626 1 100 GLN HA 1 100 GLN HB2 . . 3.010 2.779 2.411 3.059 0.049 7 0 "[ . 1 . 2]" 1
1627 1 100 GLN HA 1 100 GLN QG . . 3.870 2.711 2.201 3.522 . 0 0 "[ . 1 . 2]" 1
1628 1 100 GLN HB2 1 100 GLN QG . . 2.520 2.381 2.154 2.559 0.039 4 0 "[ . 1 . 2]" 1
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