NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
634174 |
6nbn   |
30550 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_6nbn
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 1552
_Distance_constraint_stats_list.Viol_count 1102
_Distance_constraint_stats_list.Viol_total 9355.457
_Distance_constraint_stats_list.Viol_max 1.977
_Distance_constraint_stats_list.Viol_rms 0.0606
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0067
_Distance_constraint_stats_list.Viol_average_violations_only 0.2830
_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 2 GLU 3.942 0.326 24 0 "[ . 1 . 2 . 3]"
1 3 PHE 1.839 0.326 24 0 "[ . 1 . 2 . 3]"
1 4 THR 2.915 1.025 26 1 "[ . 1 . 2 .+ 3]"
1 5 VAL 5.657 1.025 26 2 "[ . 1 . - 2 .+ 3]"
1 6 SER 3.237 0.815 28 2 "[ . -1 . 2 . + 3]"
1 7 THR 1.008 0.773 18 1 "[ . 1 . + 2 . 3]"
1 8 THR 1.893 0.815 21 2 "[ . 1 . -+ . 3]"
1 9 GLU 9.704 0.767 20 7 "[*- . 1 * * + * *. 3]"
1 10 ASP 1.613 0.815 28 2 "[ . -1 . 2 . + 3]"
1 11 LEU 1.939 0.498 11 0 "[ . 1 . 2 . 3]"
1 12 GLN 13.895 0.815 21 9 "[*- . 1 * * *+* *. *3]"
1 13 ARG 1.560 0.505 8 1 "[ . + 1 . 2 . 3]"
1 14 TYR 3.547 0.784 22 3 "[* -. 1 . 2 + . 3]"
1 15 ARG 0.217 0.217 4 0 "[ . 1 . 2 . 3]"
1 16 THR 8.017 0.610 7 2 "[ -. + 1 . 2 . 3]"
1 17 GLU 6.204 0.544 4 1 "[ +. 1 . 2 . 3]"
1 18 CYS 0.376 0.277 6 0 "[ . 1 . 2 . 3]"
1 19 VAL 1.857 0.386 5 0 "[ . 1 . 2 . 3]"
1 20 SER 4.209 0.610 7 1 "[ . + 1 . 2 . 3]"
1 21 SER 0.634 0.277 6 0 "[ . 1 . 2 . 3]"
1 22 LEU 0.998 0.518 6 1 "[ .+ 1 . 2 . 3]"
1 23 ASN 2.012 0.228 19 0 "[ . 1 . 2 . 3]"
1 24 ILE 0.612 0.518 6 1 "[ .+ 1 . 2 . 3]"
1 25 PRO 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 26 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 27 ASP 7.949 0.861 9 1 "[ . +1 . 2 . 3]"
1 28 TYR 2.980 0.784 24 4 "[ . 1 . 2 +.-** 3]"
1 29 VAL 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 30 GLU 4.602 0.861 9 1 "[ . +1 . 2 . 3]"
1 31 LYS 9.219 0.784 24 5 "[ . 1 - . 2 +.*** 3]"
1 32 PHE 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 33 LYS 3.801 0.866 20 2 "[ - . 1 . + . 3]"
1 34 LYS 1.022 0.282 22 0 "[ . 1 . 2 . 3]"
1 35 TRP 0.224 0.125 27 0 "[ . 1 . 2 . 3]"
1 36 GLU 7.019 0.522 12 1 "[ . 1 + . 2 . 3]"
1 37 PHE 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 38 PRO 2.609 0.522 12 1 "[ . 1 + . 2 . 3]"
1 39 GLU 1.119 0.341 7 0 "[ . 1 . 2 . 3]"
1 40 ASP 0.017 0.017 22 0 "[ . 1 . 2 . 3]"
1 41 ASP 0.017 0.017 22 0 "[ . 1 . 2 . 3]"
1 42 THR 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 43 THR 0.119 0.080 21 0 "[ . 1 . 2 . 3]"
1 44 MET 0.876 0.347 5 0 "[ . 1 . 2 . 3]"
1 45 CYS 0.740 0.518 6 1 "[ .+ 1 . 2 . 3]"
1 46 TYR 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 47 ILE 26.316 1.977 28 29 "[** ********-***************+**]"
1 48 LYS 9.508 0.416 17 0 "[ . 1 . 2 . 3]"
1 49 CYS 4.907 0.329 11 0 "[ . 1 . 2 . 3]"
1 50 VAL 6.624 1.977 28 2 "[ . 1 . - 2 . + 3]"
1 51 PHE 1.454 0.704 28 2 "[ . 1 . - 2 . + 3]"
1 52 ASN 19.266 0.581 11 9 "[** *. 1+** . 2 * .*- 3]"
1 53 LYS 15.858 0.784 22 9 "[** *. 1*** . 2 + .*- 3]"
1 54 MET 25.798 1.880 11 28 "[*-*** ****+***************** *]"
1 55 GLN 4.978 0.449 5 0 "[ . 1 . 2 . 3]"
1 56 LEU 6.495 0.394 18 0 "[ . 1 . 2 . 3]"
1 57 PHE 21.760 1.799 13 8 "[* . - * *+ . 2 . ***]"
1 58 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 59 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 60 THR 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 61 GLU 2.273 0.587 7 2 "[ . + 1 - . 2 . 3]"
1 62 GLY 12.140 0.487 18 0 "[ . 1 . 2 . 3]"
1 63 PRO 29.002 0.553 30 4 "[* . - 1 . 2 . * +]"
1 64 LEU 18.855 1.799 13 5 "[ . * * *+ . 2 . *3]"
1 65 VAL 2.330 1.091 6 2 "[ .+ 1 - . 2 . 3]"
1 66 ASP 5.110 1.091 6 6 "[ .+ 1 * .* - 2* . * 3]"
1 67 ASN 0.340 0.047 11 0 "[ . 1 . 2 . 3]"
1 68 LEU 0.148 0.092 10 0 "[ . 1 . 2 . 3]"
1 69 VAL 2.147 0.929 1 1 "[+ . 1 . 2 . 3]"
1 70 HIS 12.997 1.400 22 11 "[- . 1****.*** 2 + . * *]"
1 71 GLN 9.105 0.923 29 1 "[ . 1 . 2 . +3]"
1 72 LEU 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 73 ALA 0.112 0.112 1 0 "[ . 1 . 2 . 3]"
1 74 HIS 0.165 0.095 11 0 "[ . 1 . 2 . 3]"
1 76 ARG 4.436 0.427 20 0 "[ . 1 . 2 . 3]"
1 77 ASP 3.621 0.832 23 5 "[* * 1 . - * + . 3]"
1 78 ALA 0.533 0.211 1 0 "[ . 1 . 2 . 3]"
1 79 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 80 GLU 10.244 0.832 23 12 "[* * * **1 * - ** + .** 3]"
1 81 VAL 5.722 0.841 15 3 "[ * . 1 - + 2 . 3]"
1 82 ARG 3.470 0.442 23 0 "[ . 1 . 2 . 3]"
1 83 THR 0.234 0.168 25 0 "[ . 1 . 2 . 3]"
1 84 GLU 7.641 1.018 29 4 "[ * . 1 - * 2 . +3]"
1 85 VAL 2.336 0.896 10 1 "[ . + . 2 . 3]"
1 86 LEU 0.896 0.896 10 1 "[ . + . 2 . 3]"
1 87 LYS 2.976 1.018 29 2 "[ . 1 . 2 - +3]"
1 88 CYS 1.191 0.679 20 1 "[ . 1 . + . 3]"
1 89 VAL 6.864 0.299 20 0 "[ . 1 . 2 . 3]"
1 90 ASP 3.396 0.299 20 0 "[ . 1 . 2 . 3]"
1 91 LYS 3.343 0.981 1 3 "[+ . *1 . - 2 . 3]"
1 92 ASN 0.020 0.020 7 0 "[ . 1 . 2 . 3]"
1 93 THR 3.817 1.400 4 3 "[* +. -1 . 2 . 3]"
1 94 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 95 ASN 1.956 0.227 2 0 "[ . 1 . 2 . 3]"
1 96 ASN 4.791 0.430 5 0 "[ . 1 . 2 . 3]"
1 97 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 98 CYS 0.021 0.021 14 0 "[ . 1 . 2 . 3]"
1 99 HIS 1.338 0.322 16 0 "[ . 1 . 2 . 3]"
1 100 TRP 0.022 0.019 1 0 "[ . 1 . 2 . 3]"
1 101 ALA 7.126 0.416 17 0 "[ . 1 . 2 . 3]"
1 102 PHE 0.028 0.021 4 0 "[ . 1 . 2 . 3]"
1 103 ARG 13.062 1.400 4 3 "[ +. 1 -. 2* . 3]"
1 104 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 105 PHE 0.028 0.021 4 0 "[ . 1 . 2 . 3]"
1 106 LYS 1.028 0.516 2 1 "[ + . 1 . 2 . 3]"
1 107 CYS 2.261 0.718 16 2 "[ . 1 - .+ 2 . 3]"
1 108 PHE 2.261 0.718 16 2 "[ . 1 - .+ 2 . 3]"
1 109 GLN 0.611 0.516 2 1 "[ + . 1 . 2 . 3]"
1 110 LYS 3.145 0.781 3 1 "[ + . 1 . 2 . 3]"
1 111 ASN 5.245 0.781 3 3 "[ + . 1 - .* 2 . 3]"
1 112 ASN 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 113 LEU 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 114 SER 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 115 LEU 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 116 ILE 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 117 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 118 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 119 SER 0.872 0.116 18 0 "[ . 1 . 2 . 3]"
1 120 ILE 0.453 0.279 20 0 "[ . 1 . 2 . 3]"
1 121 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 122 LYS 1.216 0.551 5 1 "[ + 1 . 2 . 3]"
1 123 ASP 2.505 0.551 5 1 "[ + 1 . 2 . 3]"
2 1 ACD 51.539 1.880 11 29 "[** *******+*********-*********]"
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 24 ILE HA 1 24 ILE MG 2.253 . 2.887 2.326 2.303 2.362 . 0 0 "[ . 1 . 2 . 3]" 1
2 1 103 ARG HA 1 103 ARG QB 2.322 . 2.996 2.384 2.345 2.430 . 0 0 "[ . 1 . 2 . 3]" 1
3 1 106 LYS QD 1 106 LYS HE2 2.220 . 2.836 2.200 2.046 2.295 . 0 0 "[ . 1 . 2 . 3]" 1
4 1 69 VAL HB 1 69 VAL QG 2.012 . 2.388 1.893 1.881 1.895 . 0 0 "[ . 1 . 2 . 3]" 1
5 1 113 LEU HB3 1 113 LEU MD2 2.365 . 2.748 2.290 2.272 2.305 . 0 0 "[ . 1 . 2 . 3]" 1
6 1 12 GLN HA 1 15 ARG QD 3.064 . 4.237 2.919 2.009 4.454 0.217 4 0 "[ . 1 . 2 . 3]" 1
7 1 87 LYS QB 1 87 LYS HG2 2.272 . 2.917 2.326 2.268 2.375 . 0 0 "[ . 1 . 2 . 3]" 1
8 1 121 LYS HB2 1 121 LYS QG 2.520 . 3.314 2.328 2.155 2.382 . 0 0 "[ . 1 . 2 . 3]" 1
9 1 90 ASP H 1 90 ASP HB3 2.479 . 3.247 2.499 1.906 3.091 . 0 0 "[ . 1 . 2 . 3]" 1
10 1 69 VAL QG 1 82 ARG QG 2.522 . 2.960 2.247 2.070 2.414 . 0 0 "[ . 1 . 2 . 3]" 1
11 1 15 ARG QD 1 15 ARG HG3 2.565 . 3.387 2.322 2.165 2.459 . 0 0 "[ . 1 . 2 . 3]" 1
12 1 21 SER QB 1 22 LEU H 2.428 . 3.165 2.537 2.426 3.301 0.136 6 0 "[ . 1 . 2 . 3]" 1
13 1 79 GLU QB 1 79 GLU HG3 2.125 . 2.690 2.124 2.119 2.128 . 0 0 "[ . 1 . 2 . 3]" 1
14 1 9 GLU HA 1 9 GLU QB 2.180 . 2.774 2.369 2.315 2.436 . 0 0 "[ . 1 . 2 . 3]" 1
15 1 64 LEU HB2 1 64 LEU MD1 2.414 . 3.043 2.478 2.318 3.189 0.146 10 0 "[ . 1 . 2 . 3]" 1
16 1 87 LYS QB 1 88 CYS H 3.112 . 4.323 3.160 2.917 3.774 . 0 0 "[ . 1 . 2 . 3]" 1
17 1 114 SER H 1 114 SER QB 2.712 . 3.632 2.439 2.237 2.708 . 0 0 "[ . 1 . 2 . 3]" 1
18 1 106 LYS HA 1 106 LYS HB2 2.200 . 2.805 2.316 2.276 2.741 . 0 0 "[ . 1 . 2 . 3]" 1
19 1 80 GLU QB 1 81 VAL H 2.549 . 3.361 2.440 2.331 2.544 . 0 0 "[ . 1 . 2 . 3]" 1
20 1 87 LYS QB 1 87 LYS QD 2.351 . 3.042 2.195 2.109 2.384 . 0 0 "[ . 1 . 2 . 3]" 1
21 1 86 LEU H 1 86 LEU QD 3.128 . 4.351 3.111 3.081 3.188 . 0 0 "[ . 1 . 2 . 3]" 1
22 1 40 ASP HB3 1 41 ASP H 3.399 . 4.843 2.778 2.331 3.414 . 0 0 "[ . 1 . 2 . 3]" 1
23 1 64 LEU MD1 1 67 ASN HD21 3.885 . 5.772 3.712 2.188 5.680 . 0 0 "[ . 1 . 2 . 3]" 1
24 1 87 LYS HA 1 87 LYS QB 2.455 . 3.209 2.404 2.180 2.443 . 0 0 "[ . 1 . 2 . 3]" 1
25 1 22 LEU HB2 1 22 LEU MD1 2.019 . 2.528 1.954 1.948 1.966 . 0 0 "[ . 1 . 2 . 3]" 1
26 1 9 GLU HA 1 9 GLU QG 2.338 . 2.854 2.513 2.333 3.059 0.205 1 0 "[ . 1 . 2 . 3]" 1
27 1 9 GLU QB 1 10 ASP H 2.578 . 3.409 2.511 2.333 2.694 . 0 0 "[ . 1 . 2 . 3]" 1
28 1 30 GLU HB2 1 30 GLU QG 2.257 . 2.894 2.299 2.160 2.349 . 0 0 "[ . 1 . 2 . 3]" 1
29 1 2 GLU QG 1 3 PHE H 4.369 . 6.755 4.300 3.225 4.761 . 0 0 "[ . 1 . 2 . 3]" 1
30 1 58 ASP HB3 1 64 LEU MD2 2.531 . 2.911 2.418 2.248 2.895 . 0 0 "[ . 1 . 2 . 3]" 1
31 1 113 LEU HA 1 116 ILE MD 2.479 . 3.161 2.310 2.196 2.414 . 0 0 "[ . 1 . 2 . 3]" 1
32 1 36 GLU QB 1 36 GLU HG2 2.281 . 2.931 2.319 2.154 2.387 . 0 0 "[ . 1 . 2 . 3]" 1
33 1 11 LEU QD 1 12 GLN H 4.026 . 6.052 3.940 3.749 4.063 . 0 0 "[ . 1 . 2 . 3]" 1
34 1 115 LEU HB2 1 115 LEU QD 2.269 . 2.913 2.095 2.078 2.116 . 0 0 "[ . 1 . 2 . 3]" 1
35 1 19 VAL MG2 1 29 VAL MG2 2.026 . 2.515 2.047 1.934 2.156 . 0 0 "[ . 1 . 2 . 3]" 1
36 1 26 ALA HA 1 29 VAL MG2 2.172 . 2.761 2.228 2.130 2.433 . 0 0 "[ . 1 . 2 . 3]" 1
37 1 120 ILE MD 1 120 ILE QG 2.115 . 2.353 1.885 1.883 1.887 . 0 0 "[ . 1 . 2 . 3]" 1
38 1 86 LEU HB2 1 86 LEU MD1 2.119 . 2.553 2.222 2.207 2.242 . 0 0 "[ . 1 . 2 . 3]" 1
39 1 65 VAL HA 1 68 LEU MD1 2.140 . 2.712 2.083 2.015 2.150 . 0 0 "[ . 1 . 2 . 3]" 1
40 1 86 LEU HB3 1 86 LEU QD 2.182 . 2.777 2.085 2.079 2.092 . 0 0 "[ . 1 . 2 . 3]" 1
41 1 11 LEU HB3 1 11 LEU MD2 2.418 . 2.699 2.259 2.201 2.300 . 0 0 "[ . 1 . 2 . 3]" 1
42 1 53 LYS HD2 1 53 LYS HE2 2.292 . 2.949 2.153 2.027 2.314 . 0 0 "[ . 1 . 2 . 3]" 1
43 1 15 ARG H 1 15 ARG QD 4.139 . 6.280 4.141 3.590 4.867 . 0 0 "[ . 1 . 2 . 3]" 1
44 1 29 VAL QG 1 30 GLU H 3.342 . 4.738 3.191 3.120 3.253 . 0 0 "[ . 1 . 2 . 3]" 1
45 1 29 VAL HA 1 29 VAL QG 1.946 . 2.419 2.094 2.087 2.100 . 0 0 "[ . 1 . 2 . 3]" 1
46 1 37 PHE H 1 37 PHE HB2 2.719 . 3.643 2.665 2.620 2.767 . 0 0 "[ . 1 . 2 . 3]" 1
47 1 116 ILE HB 1 116 ILE MD 2.233 . 2.856 1.996 1.986 2.005 . 0 0 "[ . 1 . 2 . 3]" 1
48 1 20 SER H 1 20 SER QB 2.063 . 2.595 2.308 2.189 2.627 0.032 14 0 "[ . 1 . 2 . 3]" 1
49 1 68 LEU HA 1 68 LEU MD2 2.003 . 2.504 2.073 2.043 2.109 . 0 0 "[ . 1 . 2 . 3]" 1
50 1 89 VAL HA 1 89 VAL QG 2.045 . 2.568 2.113 2.096 2.127 . 0 0 "[ . 1 . 2 . 3]" 1
51 1 9 GLU QB 1 9 GLU QG 2.081 . 2.515 2.049 1.985 2.086 . 0 0 "[ . 1 . 2 . 3]" 1
52 1 115 LEU HB2 1 115 LEU MD1 2.060 . 2.590 2.301 2.255 2.359 . 0 0 "[ . 1 . 2 . 3]" 1
53 1 63 PRO HA 1 68 LEU MD1 2.770 . 3.729 2.977 2.891 3.063 . 0 0 "[ . 1 . 2 . 3]" 1
54 1 30 GLU HB3 1 30 GLU QG 2.207 . 2.816 2.356 2.319 2.408 . 0 0 "[ . 1 . 2 . 3]" 1
55 1 84 GLU H 1 84 GLU HB2 2.672 . 3.564 2.559 2.346 3.555 . 0 0 "[ . 1 . 2 . 3]" 1
56 1 22 LEU MD2 1 22 LEU HG 1.938 . 2.407 2.123 2.121 2.125 . 0 0 "[ . 1 . 2 . 3]" 1
57 1 11 LEU H 1 11 LEU QD 3.714 . 5.438 3.706 3.671 3.733 . 0 0 "[ . 1 . 2 . 3]" 1
58 1 48 LYS QG 1 101 ALA MB 2.443 . 3.189 2.550 2.219 3.350 0.161 20 0 "[ . 1 . 2 . 3]" 1
59 1 22 LEU H 1 22 LEU QD 3.539 . 5.104 3.259 3.206 3.306 . 0 0 "[ . 1 . 2 . 3]" 1
60 1 47 ILE MD 1 51 PHE QE 2.636 . 3.505 2.766 2.675 2.868 . 0 0 "[ . 1 . 2 . 3]" 1
61 1 79 GLU H 1 79 GLU HB2 2.364 . 3.063 2.425 2.369 2.486 . 0 0 "[ . 1 . 2 . 3]" 1
62 1 65 VAL HA 1 65 VAL QG 2.140 . 2.534 2.130 2.094 2.551 0.017 6 0 "[ . 1 . 2 . 3]" 1
63 1 37 PHE QB 1 37 PHE QD 2.264 . 2.904 2.131 2.127 2.135 . 0 0 "[ . 1 . 2 . 3]" 1
64 1 64 LEU MD1 1 67 ASN HD22 3.943 . 5.887 3.939 2.902 5.483 . 0 0 "[ . 1 . 2 . 3]" 1
65 1 61 GLU H 1 64 LEU MD2 4.301 . 6.613 4.413 4.090 5.288 . 0 0 "[ . 1 . 2 . 3]" 1
66 1 85 VAL HA 1 85 VAL QG 2.183 . 2.740 2.125 2.106 2.532 . 0 0 "[ . 1 . 2 . 3]" 1
67 1 29 VAL HB 1 29 VAL QG 1.988 . 2.482 1.894 1.892 1.896 . 0 0 "[ . 1 . 2 . 3]" 1
68 1 30 GLU HA 1 30 GLU QG 2.544 . 3.353 2.657 2.541 3.083 . 0 0 "[ . 1 . 2 . 3]" 1
69 1 18 CYS HA 1 21 SER QB 2.703 . 3.616 2.686 2.414 3.893 0.277 6 0 "[ . 1 . 2 . 3]" 1
70 1 84 GLU QB 1 84 GLU HG2 2.276 . 2.648 2.365 2.302 2.429 . 0 0 "[ . 1 . 2 . 3]" 1
71 1 11 LEU HA 1 11 LEU MD1 2.225 . 2.642 2.068 2.010 2.183 . 0 0 "[ . 1 . 2 . 3]" 1
72 1 87 LYS QB 1 87 LYS HG3 2.306 . 2.971 2.357 2.307 2.419 . 0 0 "[ . 1 . 2 . 3]" 1
73 1 85 VAL QG 1 108 PHE QE 2.316 . 2.987 2.259 2.190 2.346 . 0 0 "[ . 1 . 2 . 3]" 1
74 1 109 GLN HB3 1 113 LEU MD1 3.009 . 4.141 3.069 2.893 3.189 . 0 0 "[ . 1 . 2 . 3]" 1
75 1 113 LEU QD 1 117 LYS QE 2.349 . 3.039 2.363 2.256 2.459 . 0 0 "[ . 1 . 2 . 3]" 1
76 1 8 THR HA 1 8 THR MG 2.098 . 2.648 2.305 2.187 2.379 . 0 0 "[ . 1 . 2 . 3]" 1
77 1 64 LEU HB3 1 64 LEU QD 2.390 . 3.104 2.167 2.103 2.463 . 0 0 "[ . 1 . 2 . 3]" 1
78 1 59 ASP H 1 59 ASP QB 2.503 . 3.286 2.394 2.227 2.584 . 0 0 "[ . 1 . 2 . 3]" 1
79 1 63 PRO HG2 1 89 VAL QG 2.367 . 3.067 2.125 1.823 2.228 . 0 0 "[ . 1 . 2 . 3]" 1
80 1 24 ILE HB 1 24 ILE MG 2.077 . 2.616 2.127 2.123 2.130 . 0 0 "[ . 1 . 2 . 3]" 1
81 1 61 GLU HB2 1 64 LEU MD2 2.702 . 3.615 2.811 2.353 4.202 0.587 7 2 "[ . + 1 - . 2 . 3]" 1
82 1 84 GLU QB 1 108 PHE QE 2.517 . 3.309 2.445 2.316 2.722 . 0 0 "[ . 1 . 2 . 3]" 1
83 1 117 LYS QB 1 117 LYS HD2 2.280 . 2.930 2.330 2.302 2.367 . 0 0 "[ . 1 . 2 . 3]" 1
84 1 69 VAL HA 1 73 ALA H 2.815 . 3.805 3.017 2.866 3.145 . 0 0 "[ . 1 . 2 . 3]" 1
85 1 86 LEU HA 1 89 VAL HB 2.515 . 3.306 2.404 2.303 2.486 . 0 0 "[ . 1 . 2 . 3]" 1
86 1 69 VAL HA 1 69 VAL QG 1.946 . 2.420 2.127 2.100 2.578 0.158 1 0 "[ . 1 . 2 . 3]" 1
87 1 82 ARG QG 1 86 LEU MD1 2.005 . 2.507 2.089 2.053 2.151 . 0 0 "[ . 1 . 2 . 3]" 1
88 1 59 ASP HA 1 59 ASP QB 2.422 . 2.663 2.313 2.168 2.433 . 0 0 "[ . 1 . 2 . 3]" 1
89 1 79 GLU HA 1 79 GLU QB 2.318 . 2.990 2.394 2.365 2.414 . 0 0 "[ . 1 . 2 . 3]" 1
90 1 89 VAL HB 1 89 VAL QG 2.049 . 2.574 1.895 1.892 1.898 . 0 0 "[ . 1 . 2 . 3]" 1
91 1 47 ILE H 1 47 ILE HA 2.594 . 3.435 2.789 2.778 2.801 . 0 0 "[ . 1 . 2 . 3]" 1
92 1 115 LEU HB3 1 115 LEU MD2 2.278 . 2.927 2.300 2.263 2.329 . 0 0 "[ . 1 . 2 . 3]" 1
93 1 63 PRO HB3 1 68 LEU MD1 2.122 . 2.685 2.212 2.022 2.740 0.055 30 0 "[ . 1 . 2 . 3]" 1
94 1 9 GLU H 1 9 GLU QB 2.455 . 3.209 2.361 2.170 2.532 . 0 0 "[ . 1 . 2 . 3]" 1
95 1 63 PRO HG2 1 89 VAL MG2 2.316 . 2.987 2.414 2.131 2.589 . 0 0 "[ . 1 . 2 . 3]" 1
96 1 115 LEU QB 1 115 LEU MD2 2.146 . 2.722 2.095 2.087 2.101 . 0 0 "[ . 1 . 2 . 3]" 1
97 1 117 LYS QD 1 117 LYS HG2 2.408 . 3.133 2.370 2.350 2.407 . 0 0 "[ . 1 . 2 . 3]" 1
98 1 81 VAL HA 1 84 GLU HB2 2.997 . 4.120 3.016 2.649 4.961 0.841 15 1 "[ . 1 + 2 . 3]" 1
99 1 114 SER QB 1 115 LEU H 2.621 . 3.480 2.730 2.599 3.412 . 0 0 "[ . 1 . 2 . 3]" 1
100 1 21 SER H 1 21 SER QB 2.184 . 2.780 2.364 2.246 2.743 . 0 0 "[ . 1 . 2 . 3]" 1
101 1 62 GLY H 1 64 LEU MD2 4.126 . 6.254 4.337 4.151 4.809 . 0 0 "[ . 1 . 2 . 3]" 1
102 1 15 ARG HB3 1 15 ARG QD 2.763 . 3.717 2.478 2.272 3.135 . 0 0 "[ . 1 . 2 . 3]" 1
103 1 15 ARG QD 1 15 ARG HG2 2.457 . 3.211 2.314 2.171 2.474 . 0 0 "[ . 1 . 2 . 3]" 1
104 1 81 VAL HA 1 84 GLU HG3 2.712 . 3.631 3.568 2.713 4.300 0.669 2 2 "[ + . 1 - . 2 . 3]" 1
105 1 19 VAL MG1 1 24 ILE HB 2.025 . 2.538 2.081 1.953 2.197 . 0 0 "[ . 1 . 2 . 3]" 1
106 1 81 VAL HB 1 81 VAL MG2 2.173 . 2.306 2.113 2.109 2.120 . 0 0 "[ . 1 . 2 . 3]" 1
107 1 60 THR HA 1 100 TRP HZ3 3.898 . 5.797 3.629 3.180 4.060 . 0 0 "[ . 1 . 2 . 3]" 1
108 1 43 THR HA 1 43 THR MG 2.251 . 2.885 2.321 2.278 2.369 . 0 0 "[ . 1 . 2 . 3]" 1
109 1 56 LEU HA 1 56 LEU MD2 2.087 . 2.632 1.962 1.921 1.986 . 0 0 "[ . 1 . 2 . 3]" 1
110 1 78 ALA MB 1 79 GLU H 2.410 . 3.136 2.626 2.471 2.756 . 0 0 "[ . 1 . 2 . 3]" 1
111 1 57 PHE HZ 1 100 TRP HE3 3.252 . 4.574 2.973 2.649 3.220 . 0 0 "[ . 1 . 2 . 3]" 1
112 1 117 LYS HA 1 117 LYS HG3 2.805 . 3.789 2.949 2.836 3.042 . 0 0 "[ . 1 . 2 . 3]" 1
113 1 24 ILE HB 1 24 ILE HG12 2.778 . 3.743 2.477 2.467 2.486 . 0 0 "[ . 1 . 2 . 3]" 1
114 1 58 ASP HB2 1 64 LEU MD2 2.273 . 2.868 2.281 2.038 2.537 . 0 0 "[ . 1 . 2 . 3]" 1
115 1 87 LYS H 1 87 LYS QB 2.423 . 3.157 2.345 2.227 2.535 . 0 0 "[ . 1 . 2 . 3]" 1
116 1 97 ALA MB 1 100 TRP HE3 3.772 . 5.551 3.469 2.953 3.767 . 0 0 "[ . 1 . 2 . 3]" 1
117 1 53 LYS H 1 53 LYS QG 2.883 . 3.922 2.697 2.310 3.587 . 0 0 "[ . 1 . 2 . 3]" 1
118 1 23 ASN HA 1 23 ASN HB3 2.193 . 2.794 2.638 2.442 3.022 0.228 19 0 "[ . 1 . 2 . 3]" 1
119 1 33 LYS HB2 1 33 LYS HG3 2.457 . 3.211 2.498 2.354 3.013 . 0 0 "[ . 1 . 2 . 3]" 1
120 1 79 GLU H 1 79 GLU HG3 2.546 . 3.356 2.355 2.112 2.486 . 0 0 "[ . 1 . 2 . 3]" 1
121 1 36 GLU HA 1 36 GLU HB3 2.521 . 3.315 2.672 2.436 3.021 . 0 0 "[ . 1 . 2 . 3]" 1
122 1 103 ARG HA 1 103 ARG HG3 2.799 . 3.778 2.539 2.368 3.095 . 0 0 "[ . 1 . 2 . 3]" 1
123 1 22 LEU MD1 1 49 CYS H 2.965 . 4.064 3.272 3.098 3.467 . 0 0 "[ . 1 . 2 . 3]" 1
124 1 73 ALA H 1 81 VAL MG2 3.597 . 5.214 3.488 3.384 3.628 . 0 0 "[ . 1 . 2 . 3]" 1
125 1 19 VAL HB 1 19 VAL MG1 1.942 . 2.414 2.126 2.120 2.130 . 0 0 "[ . 1 . 2 . 3]" 1
126 1 20 SER HA 1 21 SER H 3.606 . 5.232 3.515 3.436 3.558 . 0 0 "[ . 1 . 2 . 3]" 1
127 1 73 ALA HA 1 73 ALA MB 1.990 . 2.357 2.115 2.109 2.120 . 0 0 "[ . 1 . 2 . 3]" 1
128 1 19 VAL H 1 46 TYR QE 4.279 . 6.568 3.754 3.297 4.037 . 0 0 "[ . 1 . 2 . 3]" 1
129 1 30 GLU HA 1 30 GLU HB3 2.346 . 2.533 2.384 2.313 2.923 0.390 9 0 "[ . 1 . 2 . 3]" 1
130 1 56 LEU HB3 1 56 LEU MD1 2.663 . 3.208 2.384 2.359 2.403 . 0 0 "[ . 1 . 2 . 3]" 1
131 1 19 VAL H 1 19 VAL HB 2.338 . 3.022 2.288 2.272 2.315 . 0 0 "[ . 1 . 2 . 3]" 1
132 1 37 PHE HA 1 37 PHE QD 3.440 . 4.920 3.062 2.949 3.144 . 0 0 "[ . 1 . 2 . 3]" 1
133 1 65 VAL HA 1 66 ASP H 3.652 . 5.319 3.557 3.522 3.575 . 0 0 "[ . 1 . 2 . 3]" 1
134 1 99 HIS HB2 1 100 TRP H 2.973 . 4.078 3.809 2.762 4.097 0.019 1 0 "[ . 1 . 2 . 3]" 1
135 1 58 ASP H 1 58 ASP HB2 3.358 . 4.768 3.093 2.910 3.216 . 0 0 "[ . 1 . 2 . 3]" 1
136 1 79 GLU HA 1 79 GLU HG2 2.521 . 2.942 2.457 2.375 2.586 . 0 0 "[ . 1 . 2 . 3]" 1
137 1 22 LEU HA 1 22 LEU MD2 1.945 . 2.322 1.992 1.969 2.017 . 0 0 "[ . 1 . 2 . 3]" 1
138 1 122 LYS H 1 122 LYS HA 2.794 . 3.770 2.815 2.253 2.954 . 0 0 "[ . 1 . 2 . 3]" 1
139 1 62 GLY HA3 1 100 TRP HH2 4.093 . 6.188 3.297 3.047 3.566 . 0 0 "[ . 1 . 2 . 3]" 1
140 1 92 ASN QD 1 95 ASN HA 2.590 . 3.428 2.636 2.433 3.448 0.020 7 0 "[ . 1 . 2 . 3]" 1
141 1 12 GLN HA 1 15 ARG H 3.567 . 5.158 3.576 3.390 3.951 . 0 0 "[ . 1 . 2 . 3]" 1
142 1 113 LEU HB2 1 113 LEU MD1 2.193 . 2.794 2.342 2.316 2.366 . 0 0 "[ . 1 . 2 . 3]" 1
143 1 47 ILE HB 1 47 ILE MG 2.401 . 2.782 2.128 2.126 2.132 . 0 0 "[ . 1 . 2 . 3]" 1
144 1 35 TRP H 1 35 TRP HA 2.178 . 2.771 2.259 2.246 2.271 . 0 0 "[ . 1 . 2 . 3]" 1
145 1 31 LYS HD2 1 31 LYS QE 2.508 . 3.294 2.264 2.177 2.387 . 0 0 "[ . 1 . 2 . 3]" 1
146 1 63 PRO HB2 1 63 PRO HG2 2.417 . 3.147 2.306 2.282 2.320 . 0 0 "[ . 1 . 2 . 3]" 1
147 1 67 ASN HA 1 67 ASN HB3 2.605 . 2.900 2.531 2.486 2.557 . 0 0 "[ . 1 . 2 . 3]" 1
148 1 28 TYR HA 1 31 LYS H 3.540 . 5.106 3.367 3.221 3.516 . 0 0 "[ . 1 . 2 . 3]" 1
149 1 29 VAL HA 1 31 LYS H 4.293 . 6.597 4.233 4.123 4.393 . 0 0 "[ . 1 . 2 . 3]" 1
150 1 89 VAL H 1 89 VAL HA 2.645 . 3.520 2.869 2.837 2.919 . 0 0 "[ . 1 . 2 . 3]" 1
151 1 14 TYR HA 1 14 TYR QD 2.151 . 2.729 2.201 2.090 2.314 . 0 0 "[ . 1 . 2 . 3]" 1
152 1 60 THR HB 1 60 THR MG 1.906 . 2.360 2.129 2.127 2.132 . 0 0 "[ . 1 . 2 . 3]" 1
153 1 120 ILE H 1 120 ILE MD 3.553 . 5.131 3.696 3.603 3.779 . 0 0 "[ . 1 . 2 . 3]" 1
154 1 73 ALA MB 1 81 VAL MG1 2.090 . 2.636 2.187 2.037 2.260 . 0 0 "[ . 1 . 2 . 3]" 1
155 1 106 LYS H 1 106 LYS HB3 2.475 . 3.241 2.274 2.175 3.048 . 0 0 "[ . 1 . 2 . 3]" 1
156 1 89 VAL HA 1 90 ASP H 2.039 . 2.559 2.141 2.109 2.180 . 0 0 "[ . 1 . 2 . 3]" 1
157 1 31 LYS HD3 1 31 LYS QE 2.579 . 3.410 2.360 2.185 2.419 . 0 0 "[ . 1 . 2 . 3]" 1
158 1 57 PHE HA 1 64 LEU H 2.620 . 3.478 2.648 2.561 2.823 . 0 0 "[ . 1 . 2 . 3]" 1
159 1 8 THR MG 1 9 GLU H 2.976 . 4.083 3.561 3.246 3.936 . 0 0 "[ . 1 . 2 . 3]" 1
160 1 2 GLU HA 1 2 GLU QG 2.493 . 3.270 2.649 2.401 3.513 0.243 15 0 "[ . 1 . 2 . 3]" 1
161 1 50 VAL QG 1 51 PHE H 2.989 . 4.106 3.009 2.498 3.090 . 0 0 "[ . 1 . 2 . 3]" 1
162 1 18 CYS HB2 1 50 VAL QG 2.578 . 3.409 2.569 2.473 2.680 . 0 0 "[ . 1 . 2 . 3]" 1
163 1 2 GLU HB2 1 3 PHE H 3.115 . 4.328 4.245 3.218 4.654 0.326 24 0 "[ . 1 . 2 . 3]" 1
164 1 114 SER H 1 114 SER HA 2.966 . 4.066 2.822 2.795 2.841 . 0 0 "[ . 1 . 2 . 3]" 1
165 1 58 ASP HB3 1 62 GLY H 2.949 . 4.036 2.884 2.742 2.981 . 0 0 "[ . 1 . 2 . 3]" 1
166 1 10 ASP QB 1 11 LEU H 2.946 . 4.031 2.607 2.345 3.196 . 0 0 "[ . 1 . 2 . 3]" 1
167 1 72 LEU HB2 1 81 VAL MG1 2.115 . 2.674 2.196 2.034 2.324 . 0 0 "[ . 1 . 2 . 3]" 1
168 1 91 LYS QB 1 91 LYS HG2 2.223 . 2.841 2.340 2.289 2.386 . 0 0 "[ . 1 . 2 . 3]" 1
169 1 90 ASP H 1 90 ASP HB2 3.960 . 5.920 2.908 2.389 4.046 . 0 0 "[ . 1 . 2 . 3]" 1
170 1 18 CYS HB2 1 19 VAL H 2.952 . 4.042 2.845 2.768 2.940 . 0 0 "[ . 1 . 2 . 3]" 1
171 1 91 LYS HA 1 92 ASN H 2.217 . 2.832 2.300 2.194 2.412 . 0 0 "[ . 1 . 2 . 3]" 1
172 1 17 GLU HA 1 17 GLU HB2 2.800 . 3.780 2.887 2.245 3.019 . 0 0 "[ . 1 . 2 . 3]" 1
173 1 105 PHE HB3 1 105 PHE QD 2.632 . 3.498 2.294 2.288 2.305 . 0 0 "[ . 1 . 2 . 3]" 1
174 1 82 ARG H 1 82 ARG HB3 3.007 . 3.551 2.653 2.591 2.726 . 0 0 "[ . 1 . 2 . 3]" 1
175 1 69 VAL HA 1 73 ALA MB 3.100 . 3.872 3.111 2.979 3.194 . 0 0 "[ . 1 . 2 . 3]" 1
176 1 34 LYS H 1 34 LYS HB2 2.607 . 3.456 2.590 2.268 3.738 0.282 22 0 "[ . 1 . 2 . 3]" 1
177 1 66 ASP HA 1 66 ASP HB3 2.333 . 3.014 2.935 2.459 3.021 0.007 11 0 "[ . 1 . 2 . 3]" 1
178 1 36 GLU H 1 36 GLU HB2 2.848 . 3.378 2.674 2.428 3.050 . 0 0 "[ . 1 . 2 . 3]" 1
179 1 81 VAL HA 1 82 ARG H 3.884 . 5.770 3.570 3.558 3.580 . 0 0 "[ . 1 . 2 . 3]" 1
180 1 11 LEU MD1 1 11 LEU HG 2.019 . 2.528 2.120 2.117 2.123 . 0 0 "[ . 1 . 2 . 3]" 1
181 1 7 THR H 1 8 THR H 4.839 . 7.766 4.522 4.442 4.585 . 0 0 "[ . 1 . 2 . 3]" 1
182 1 85 VAL QG 2 1 ACD H191 2.566 . 3.389 2.550 2.464 3.516 0.127 10 0 "[ . 1 . 2 . 3]" 1
183 1 34 LYS HA 1 35 TRP H 2.802 . 3.784 2.988 2.866 3.122 . 0 0 "[ . 1 . 2 . 3]" 1
184 1 65 VAL HA 1 68 LEU H 3.410 . 4.863 3.548 3.405 3.617 . 0 0 "[ . 1 . 2 . 3]" 1
185 1 6 SER QB 1 10 ASP QB 2.938 . 4.017 2.831 2.487 4.832 0.815 28 2 "[ . -1 . 2 . + 3]" 1
186 1 43 THR HB 1 44 MET H 2.718 . 3.641 2.767 2.697 2.831 . 0 0 "[ . 1 . 2 . 3]" 1
187 1 31 LYS HA 1 34 LYS H 3.833 . 5.670 3.517 3.313 3.684 . 0 0 "[ . 1 . 2 . 3]" 1
188 1 47 ILE HA 1 51 PHE H 4.121 . 6.244 3.850 3.701 4.192 . 0 0 "[ . 1 . 2 . 3]" 1
189 1 111 ASN HB3 1 112 ASN HD22 4.132 . 6.266 4.406 3.287 5.991 . 0 0 "[ . 1 . 2 . 3]" 1
190 1 5 VAL HA 1 5 VAL HB 2.379 . 3.086 2.284 2.264 2.307 . 0 0 "[ . 1 . 2 . 3]" 1
191 1 108 PHE HA 1 109 GLN H 3.749 . 5.505 3.567 3.552 3.588 . 0 0 "[ . 1 . 2 . 3]" 1
192 1 31 LYS HB3 1 32 PHE H 3.403 . 4.851 3.517 3.382 3.616 . 0 0 "[ . 1 . 2 . 3]" 1
193 1 49 CYS HA 1 52 ASN H 3.774 . 5.554 3.600 3.480 3.697 . 0 0 "[ . 1 . 2 . 3]" 1
194 1 87 LYS H 1 87 LYS HG3 2.695 . 3.603 2.603 2.413 4.456 0.853 25 1 "[ . 1 . 2 + 3]" 1
195 1 47 ILE HA 1 47 ILE MD 2.128 . 2.676 2.008 1.983 2.028 . 0 0 "[ . 1 . 2 . 3]" 1
196 1 54 MET H 1 56 LEU H 3.990 . 5.980 3.853 3.653 4.092 . 0 0 "[ . 1 . 2 . 3]" 1
197 1 5 VAL QG 1 71 GLN HE22 2.405 . 3.128 2.372 1.806 3.497 0.369 19 0 "[ . 1 . 2 . 3]" 1
198 1 100 TRP H 1 100 TRP HB3 2.854 . 3.872 2.596 2.553 2.722 . 0 0 "[ . 1 . 2 . 3]" 1
199 1 73 ALA HA 1 81 VAL MG2 2.127 . 2.692 2.037 1.945 2.331 . 0 0 "[ . 1 . 2 . 3]" 1
200 1 46 TYR HA 1 50 VAL H 4.122 . 6.246 4.225 4.114 4.390 . 0 0 "[ . 1 . 2 . 3]" 1
201 1 93 THR H 1 93 THR MG 2.285 . 2.938 2.368 2.037 2.543 . 0 0 "[ . 1 . 2 . 3]" 1
202 1 18 CYS HB2 1 46 TYR QE 2.816 . 3.807 2.883 2.690 3.054 . 0 0 "[ . 1 . 2 . 3]" 1
203 1 82 ARG HD3 1 82 ARG QG 2.613 . 2.990 2.307 2.168 2.368 . 0 0 "[ . 1 . 2 . 3]" 1
204 1 55 GLN HA 1 56 LEU H 2.485 . 3.257 2.658 2.528 2.846 . 0 0 "[ . 1 . 2 . 3]" 1
205 1 68 LEU HB2 1 68 LEU HG 2.861 . 3.884 2.561 2.548 2.578 . 0 0 "[ . 1 . 2 . 3]" 1
206 1 72 LEU HB3 1 72 LEU MD1 2.574 . 3.091 2.408 2.392 2.427 . 0 0 "[ . 1 . 2 . 3]" 1
207 1 18 CYS H 1 18 CYS HB2 2.592 . 3.432 2.435 2.394 2.473 . 0 0 "[ . 1 . 2 . 3]" 1
208 1 54 MET HA 1 54 MET HG2 2.824 . 3.168 2.582 2.320 2.707 . 0 0 "[ . 1 . 2 . 3]" 1
209 1 54 MET HA 1 54 MET HB3 2.362 . 3.059 2.546 2.498 2.593 . 0 0 "[ . 1 . 2 . 3]" 1
210 1 113 LEU MD1 1 116 ILE HB 2.267 . 2.910 2.288 2.163 2.386 . 0 0 "[ . 1 . 2 . 3]" 1
211 1 65 VAL H 1 65 VAL HA 2.556 . 3.373 2.732 2.723 2.743 . 0 0 "[ . 1 . 2 . 3]" 1
212 1 16 THR MG 1 17 GLU H 2.765 . 3.721 3.257 2.879 3.839 0.118 25 0 "[ . 1 . 2 . 3]" 1
213 1 113 LEU MD2 1 117 LYS QE 2.559 . 3.377 2.491 2.376 2.649 . 0 0 "[ . 1 . 2 . 3]" 1
214 1 109 GLN HB3 1 109 GLN HG2 2.250 . 2.883 2.240 2.199 2.394 . 0 0 "[ . 1 . 2 . 3]" 1
215 1 51 PHE HB3 1 52 ASN H 3.481 . 4.996 3.599 3.414 3.693 . 0 0 "[ . 1 . 2 . 3]" 1
216 1 86 LEU HB2 1 87 LYS H 2.982 . 4.094 2.883 2.833 2.984 . 0 0 "[ . 1 . 2 . 3]" 1
217 1 109 GLN H 1 109 GLN HG3 2.563 . 3.384 2.452 2.208 3.479 0.095 2 0 "[ . 1 . 2 . 3]" 1
218 1 51 PHE HB2 1 51 PHE QD 2.802 . 3.783 2.743 2.487 2.757 . 0 0 "[ . 1 . 2 . 3]" 1
219 1 36 GLU HB2 1 36 GLU HG2 2.174 . 2.765 2.838 2.434 3.004 0.239 3 0 "[ . 1 . 2 . 3]" 1
220 1 61 GLU H 1 61 GLU HG2 2.592 . 3.432 3.019 2.858 3.304 . 0 0 "[ . 1 . 2 . 3]" 1
221 1 108 PHE H 1 108 PHE HB2 2.539 . 3.345 2.413 2.350 2.476 . 0 0 "[ . 1 . 2 . 3]" 1
222 1 120 ILE HB 1 120 ILE MD 2.449 . 2.725 2.352 2.325 2.389 . 0 0 "[ . 1 . 2 . 3]" 1
223 1 85 VAL H 1 86 LEU H 3.071 . 4.250 2.786 2.447 2.853 . 0 0 "[ . 1 . 2 . 3]" 1
224 1 47 ILE MG 1 105 PHE HB2 2.688 . 3.591 2.725 2.611 2.839 . 0 0 "[ . 1 . 2 . 3]" 1
225 1 49 CYS HA 1 52 ASN HB2 2.754 . 3.365 3.436 2.597 3.694 0.329 11 0 "[ . 1 . 2 . 3]" 1
226 1 103 ARG HA 1 103 ARG HB2 2.776 . 3.739 2.545 2.444 3.013 . 0 0 "[ . 1 . 2 . 3]" 1
227 1 67 ASN HA 1 67 ASN HB2 2.747 . 3.690 3.014 3.007 3.026 . 0 0 "[ . 1 . 2 . 3]" 1
228 1 112 ASN HA 1 112 ASN HD21 4.522 . 7.078 4.344 3.727 4.431 . 0 0 "[ . 1 . 2 . 3]" 1
229 1 73 ALA H 1 81 VAL MG1 2.479 . 3.247 2.517 2.460 2.608 . 0 0 "[ . 1 . 2 . 3]" 1
230 1 113 LEU HA 1 113 LEU MD1 2.053 . 2.580 2.098 2.056 2.132 . 0 0 "[ . 1 . 2 . 3]" 1
231 1 31 LYS H 1 33 LYS H 4.186 . 6.376 4.002 3.870 4.162 . 0 0 "[ . 1 . 2 . 3]" 1
232 1 84 GLU HA 1 84 GLU HG2 2.504 . 3.288 2.675 2.407 3.565 0.277 15 0 "[ . 1 . 2 . 3]" 1
233 1 35 TRP HH2 1 116 ILE MG 2.220 . 2.836 2.407 2.304 2.731 . 0 0 "[ . 1 . 2 . 3]" 1
234 1 45 CYS H 1 45 CYS HB2 2.681 . 3.579 2.470 2.260 2.537 . 0 0 "[ . 1 . 2 . 3]" 1
235 1 19 VAL HB 1 19 VAL MG2 1.984 . 2.476 2.126 2.121 2.130 . 0 0 "[ . 1 . 2 . 3]" 1
236 1 50 VAL QG 1 53 LYS H 4.537 . 7.110 4.311 4.144 4.437 . 0 0 "[ . 1 . 2 . 3]" 1
237 1 40 ASP H 1 44 MET H 4.198 . 6.401 4.067 3.810 4.249 . 0 0 "[ . 1 . 2 . 3]" 1
238 1 109 GLN HA 1 116 ILE MD 2.207 . 2.816 2.314 2.151 2.450 . 0 0 "[ . 1 . 2 . 3]" 1
239 1 48 LYS HA 1 101 ALA MB 2.256 . 2.855 2.379 2.177 2.577 . 0 0 "[ . 1 . 2 . 3]" 1
240 1 28 TYR HA 1 31 LYS HD2 2.596 . 3.438 2.525 2.362 2.697 . 0 0 "[ . 1 . 2 . 3]" 1
241 1 39 GLU HA 1 39 GLU HB2 2.430 . 2.771 2.497 2.444 3.019 0.248 7 0 "[ . 1 . 2 . 3]" 1
242 1 98 CYS H 1 100 TRP H 4.026 . 6.052 3.900 3.818 4.018 . 0 0 "[ . 1 . 2 . 3]" 1
243 1 36 GLU QB 1 36 GLU HG3 2.223 . 2.841 2.300 2.150 2.387 . 0 0 "[ . 1 . 2 . 3]" 1
244 1 80 GLU QB 1 80 GLU HG2 2.129 . 2.695 2.315 2.152 2.400 . 0 0 "[ . 1 . 2 . 3]" 1
245 1 47 ILE H 1 47 ILE HB 2.459 . 3.215 2.444 2.414 2.480 . 0 0 "[ . 1 . 2 . 3]" 1
246 1 23 ASN HB2 1 24 ILE H 4.040 . 6.080 4.321 4.150 4.614 . 0 0 "[ . 1 . 2 . 3]" 1
247 1 119 SER H 1 119 SER HA 2.599 . 3.444 2.789 2.756 2.837 . 0 0 "[ . 1 . 2 . 3]" 1
248 1 2 GLU HB2 1 2 GLU QG 2.288 . 2.942 2.278 2.151 2.374 . 0 0 "[ . 1 . 2 . 3]" 1
249 1 29 VAL HA 1 29 VAL MG1 2.113 . 2.671 2.351 2.322 2.369 . 0 0 "[ . 1 . 2 . 3]" 1
250 1 47 ILE HB 1 48 LYS H 2.897 . 3.946 2.729 2.632 2.807 . 0 0 "[ . 1 . 2 . 3]" 1
251 1 76 ARG H 1 76 ARG HG2 4.233 . 6.473 4.522 4.293 4.626 . 0 0 "[ . 1 . 2 . 3]" 1
252 1 35 TRP HZ3 1 105 PHE QE 3.646 . 5.307 3.458 3.328 3.689 . 0 0 "[ . 1 . 2 . 3]" 1
253 1 113 LEU HB3 1 113 LEU HG 2.653 . 3.468 2.497 2.487 2.509 . 0 0 "[ . 1 . 2 . 3]" 1
254 1 106 LYS HB3 1 106 LYS HG2 2.625 . 3.197 2.470 2.352 2.558 . 0 0 "[ . 1 . 2 . 3]" 1
255 1 108 PHE HA 1 112 ASN HD21 4.101 . 6.203 4.178 3.782 4.579 . 0 0 "[ . 1 . 2 . 3]" 1
256 1 28 TYR HB3 1 28 TYR QD 2.524 . 3.320 2.369 2.305 2.457 . 0 0 "[ . 1 . 2 . 3]" 1
257 1 56 LEU MD1 2 1 ACD H131 2.583 . 3.417 2.502 2.445 2.574 . 0 0 "[ . 1 . 2 . 3]" 1
258 1 28 TYR HA 1 31 LYS HG3 2.753 . 3.700 2.926 2.404 4.484 0.784 24 4 "[ . 1 . 2 +.-** 3]" 1
259 1 32 PHE QE 1 43 THR MG 2.142 . 2.716 2.048 1.992 2.159 . 0 0 "[ . 1 . 2 . 3]" 1
260 1 102 PHE HB2 1 102 PHE QD 2.574 . 3.402 2.505 2.456 2.544 . 0 0 "[ . 1 . 2 . 3]" 1
261 1 105 PHE HA 2 1 ACD H15 2.718 . 3.642 2.766 2.654 2.925 . 0 0 "[ . 1 . 2 . 3]" 1
262 1 64 LEU HB3 1 67 ASN HB2 3.137 . 4.367 3.238 3.093 3.395 . 0 0 "[ . 1 . 2 . 3]" 1
263 1 113 LEU HA 1 116 ILE HB 2.876 . 3.910 2.839 2.701 2.941 . 0 0 "[ . 1 . 2 . 3]" 1
264 1 47 ILE HG13 1 47 ILE MG 2.451 . 3.202 2.338 2.329 2.353 . 0 0 "[ . 1 . 2 . 3]" 1
265 1 36 GLU HA 1 37 PHE H 1.971 . 2.456 2.123 2.096 2.149 . 0 0 "[ . 1 . 2 . 3]" 1
266 1 109 GLN H 1 109 GLN HB3 2.640 . 3.511 2.528 2.457 2.668 . 0 0 "[ . 1 . 2 . 3]" 1
267 1 115 LEU H 1 117 LYS H 4.347 . 6.597 4.155 4.057 4.274 . 0 0 "[ . 1 . 2 . 3]" 1
268 1 84 GLU H 1 84 GLU HG2 2.731 . 3.664 2.788 1.704 3.354 0.094 15 0 "[ . 1 . 2 . 3]" 1
269 1 19 VAL H 1 19 VAL HA 2.584 . 3.418 2.810 2.791 2.824 . 0 0 "[ . 1 . 2 . 3]" 1
270 1 106 LYS HB3 1 107 CYS H 2.970 . 4.072 2.803 2.284 2.997 . 0 0 "[ . 1 . 2 . 3]" 1
271 1 47 ILE HG12 1 102 PHE QD 2.893 . 3.939 2.997 2.863 3.093 . 0 0 "[ . 1 . 2 . 3]" 1
272 1 54 MET HA 1 54 MET HG3 2.949 . 3.466 2.842 2.559 3.742 0.276 20 0 "[ . 1 . 2 . 3]" 1
273 1 86 LEU HA 1 86 LEU HB3 2.456 . 3.210 2.523 2.503 2.548 . 0 0 "[ . 1 . 2 . 3]" 1
274 1 80 GLU HA 1 80 GLU HG3 2.347 . 3.035 3.048 2.499 3.762 0.727 3 9 "[ + * **1 - 2* * .** 3]" 1
275 1 37 PHE HA 1 38 PRO HD3 2.475 . 3.190 2.267 2.134 2.515 . 0 0 "[ . 1 . 2 . 3]" 1
276 1 71 GLN H 1 71 GLN HB2 2.611 . 3.463 2.547 2.317 2.734 . 0 0 "[ . 1 . 2 . 3]" 1
277 1 81 VAL HA 1 84 GLU H 3.678 . 5.369 3.597 3.458 3.746 . 0 0 "[ . 1 . 2 . 3]" 1
278 1 37 PHE HB3 1 43 THR MG 2.105 . 2.659 2.132 1.990 2.303 . 0 0 "[ . 1 . 2 . 3]" 1
279 1 83 THR HA 1 86 LEU H 3.764 . 5.535 3.590 3.466 3.732 . 0 0 "[ . 1 . 2 . 3]" 1
280 1 63 PRO HA 1 64 LEU H 2.117 . 2.677 2.143 2.117 2.172 . 0 0 "[ . 1 . 2 . 3]" 1
281 1 63 PRO HA 1 63 PRO HB3 2.577 . 2.945 2.284 2.270 2.301 . 0 0 "[ . 1 . 2 . 3]" 1
282 1 110 LYS H 1 110 LYS HB3 2.327 . 3.004 2.527 2.423 2.898 . 0 0 "[ . 1 . 2 . 3]" 1
283 1 103 ARG HD3 1 103 ARG HG3 2.584 . 3.414 2.537 2.291 3.024 . 0 0 "[ . 1 . 2 . 3]" 1
284 1 31 LYS HA 1 31 LYS HB3 2.614 . 2.813 2.502 2.433 2.818 0.005 28 0 "[ . 1 . 2 . 3]" 1
285 1 61 GLU H 1 61 GLU HB3 3.329 . 4.714 3.595 3.569 3.635 . 0 0 "[ . 1 . 2 . 3]" 1
286 1 32 PHE HB3 1 32 PHE QD 2.518 . 3.311 2.753 2.735 2.759 . 0 0 "[ . 1 . 2 . 3]" 1
287 1 88 CYS HB2 2 1 ACD H191 2.929 . 4.001 2.683 2.565 4.039 0.038 20 0 "[ . 1 . 2 . 3]" 1
288 1 35 TRP HA 1 37 PHE QE 2.542 . 3.350 2.589 2.493 2.705 . 0 0 "[ . 1 . 2 . 3]" 1
289 1 117 LYS HA 1 117 LYS HB3 2.607 . 3.457 2.535 2.478 2.563 . 0 0 "[ . 1 . 2 . 3]" 1
290 1 76 ARG HB3 1 76 ARG QD 2.570 . 2.906 2.409 2.234 2.863 . 0 0 "[ . 1 . 2 . 3]" 1
291 1 119 SER H 1 121 LYS H 4.140 . 6.032 3.850 3.688 3.971 . 0 0 "[ . 1 . 2 . 3]" 1
292 1 85 VAL H 1 85 VAL QG . . 2.743 2.272 1.924 2.353 0.071 10 0 "[ . 1 . 2 . 3]" 1
293 1 36 GLU HA 1 36 GLU HG3 2.688 . 3.591 3.066 2.416 3.774 0.183 13 0 "[ . 1 . 2 . 3]" 1
294 1 52 ASN H 1 52 ASN HB3 3.027 . 3.356 2.634 2.342 3.611 0.255 25 0 "[ . 1 . 2 . 3]" 1
295 1 46 TYR HA 1 47 ILE H 3.692 . 5.396 3.546 3.528 3.555 . 0 0 "[ . 1 . 2 . 3]" 1
296 1 65 VAL HB 1 66 ASP H 2.437 . 3.180 2.722 2.557 4.271 1.091 6 2 "[ .+ 1 - . 2 . 3]" 1
297 1 80 GLU H 1 80 GLU QB 2.210 . 2.821 2.285 2.087 2.456 . 0 0 "[ . 1 . 2 . 3]" 1
298 1 30 GLU H 1 30 GLU QG 2.512 . 3.301 2.040 1.769 3.679 0.378 9 0 "[ . 1 . 2 . 3]" 1
299 1 16 THR HB 1 17 GLU H 2.341 . 3.026 2.494 2.350 2.647 . 0 0 "[ . 1 . 2 . 3]" 1
300 1 16 THR H 1 16 THR HB 2.216 . 2.830 2.475 2.250 2.935 0.105 4 0 "[ . 1 . 2 . 3]" 1
301 1 92 ASN HB2 1 92 ASN QD 3.987 . 5.974 2.681 2.158 2.853 . 0 0 "[ . 1 . 2 . 3]" 1
302 1 112 ASN HB3 1 112 ASN HD21 3.290 . 4.643 3.084 2.991 3.421 . 0 0 "[ . 1 . 2 . 3]" 1
303 1 109 GLN H 1 116 ILE MD 3.039 . 4.194 3.143 3.007 3.268 . 0 0 "[ . 1 . 2 . 3]" 1
304 1 48 LYS H 1 48 LYS HA 2.536 . 3.340 2.800 2.773 2.834 . 0 0 "[ . 1 . 2 . 3]" 1
305 1 69 VAL QG 1 73 ALA MB 2.244 . 2.874 2.277 2.162 2.986 0.112 1 0 "[ . 1 . 2 . 3]" 1
306 1 84 GLU H 1 85 VAL H 3.174 . 4.271 2.801 2.719 2.855 . 0 0 "[ . 1 . 2 . 3]" 1
307 1 91 LYS HA 1 91 LYS QB . . 2.658 2.291 2.183 2.539 . 0 0 "[ . 1 . 2 . 3]" 1
308 1 13 ARG HA 1 13 ARG HB3 2.602 . 3.386 2.964 2.415 3.024 . 0 0 "[ . 1 . 2 . 3]" 1
309 1 81 VAL H 1 81 VAL HB 2.385 . 3.096 2.459 2.406 2.514 . 0 0 "[ . 1 . 2 . 3]" 1
310 1 41 ASP HA 1 45 CYS H 4.126 . 6.254 3.971 3.811 4.202 . 0 0 "[ . 1 . 2 . 3]" 1
311 1 11 LEU H 1 11 LEU HB3 2.599 . 3.443 2.461 2.408 2.533 . 0 0 "[ . 1 . 2 . 3]" 1
312 1 58 ASP H 1 64 LEU MD2 3.416 . 4.874 3.121 2.215 3.395 . 0 0 "[ . 1 . 2 . 3]" 1
313 1 50 VAL QG 1 54 MET H 4.101 . 6.204 4.123 3.992 4.256 . 0 0 "[ . 1 . 2 . 3]" 1
314 1 91 LYS QB 1 91 LYS HG3 2.228 . 2.849 2.293 2.148 2.372 . 0 0 "[ . 1 . 2 . 3]" 1
315 1 81 VAL H 1 82 ARG H 3.141 . 4.314 2.841 2.792 2.885 . 0 0 "[ . 1 . 2 . 3]" 1
316 1 93 THR H 1 93 THR HB 3.734 . 5.477 3.543 2.616 3.648 . 0 0 "[ . 1 . 2 . 3]" 1
317 1 106 LYS QE 1 106 LYS HG3 2.600 . 3.445 2.525 2.329 3.301 . 0 0 "[ . 1 . 2 . 3]" 1
318 1 13 ARG H 1 13 ARG HB2 2.493 . 3.270 2.554 2.426 2.699 . 0 0 "[ . 1 . 2 . 3]" 1
319 1 18 CYS HA 1 18 CYS HB3 2.714 . 2.884 2.497 2.475 2.523 . 0 0 "[ . 1 . 2 . 3]" 1
320 1 32 PHE HA 1 36 GLU H 2.767 . 3.724 2.692 2.542 2.781 . 0 0 "[ . 1 . 2 . 3]" 1
321 1 92 ASN HB3 1 93 THR H 4.255 . 6.518 4.421 4.355 4.583 . 0 0 "[ . 1 . 2 . 3]" 1
322 1 47 ILE H 1 47 ILE MG 3.639 . 5.294 3.753 3.744 3.760 . 0 0 "[ . 1 . 2 . 3]" 1
323 1 64 LEU HB3 1 64 LEU MD1 2.337 . 3.020 2.424 2.375 2.569 . 0 0 "[ . 1 . 2 . 3]" 1
324 1 81 VAL HA 1 81 VAL MG1 2.196 . 2.799 2.445 2.408 2.481 . 0 0 "[ . 1 . 2 . 3]" 1
325 1 88 CYS HA 1 89 VAL H 3.740 . 5.488 3.355 3.176 3.429 . 0 0 "[ . 1 . 2 . 3]" 1
326 1 27 ASP HA 1 27 ASP HB2 2.108 . 2.664 2.570 2.348 3.025 0.361 3 0 "[ . 1 . 2 . 3]" 1
327 1 123 ASP H 1 123 ASP HB2 2.624 . 3.484 2.862 2.386 3.667 0.183 17 0 "[ . 1 . 2 . 3]" 1
328 1 76 ARG H 1 76 ARG HB3 3.916 . 5.833 3.717 3.661 3.785 . 0 0 "[ . 1 . 2 . 3]" 1
329 1 91 LYS H 1 92 ASN H 4.392 . 6.803 4.570 4.525 4.608 . 0 0 "[ . 1 . 2 . 3]" 1
330 1 76 ARG HB2 1 76 ARG QD 2.597 . 3.440 2.508 2.336 2.725 . 0 0 "[ . 1 . 2 . 3]" 1
331 1 73 ALA HA 1 81 VAL MG1 2.949 . 4.036 3.178 3.046 3.406 . 0 0 "[ . 1 . 2 . 3]" 1
332 1 69 VAL HA 1 69 VAL HB 2.726 . 3.655 2.986 2.222 3.015 . 0 0 "[ . 1 . 2 . 3]" 1
333 1 120 ILE H 1 120 ILE MG 2.495 . 3.273 2.558 2.507 2.682 . 0 0 "[ . 1 . 2 . 3]" 1
334 1 73 ALA MB 1 78 ALA HA 2.053 . 2.580 2.054 1.965 2.181 . 0 0 "[ . 1 . 2 . 3]" 1
335 1 7 THR HA 1 7 THR MG 2.479 . 2.983 2.382 2.325 3.218 0.235 18 0 "[ . 1 . 2 . 3]" 1
336 1 65 VAL HB 1 65 VAL QG 1.927 . 2.368 1.893 1.886 1.896 . 0 0 "[ . 1 . 2 . 3]" 1
337 1 103 ARG HB3 1 103 ARG HD3 2.850 . 3.865 3.268 2.368 3.772 . 0 0 "[ . 1 . 2 . 3]" 1
338 1 63 PRO HA 1 63 PRO HG3 3.052 . 4.216 3.290 3.071 4.031 . 0 0 "[ . 1 . 2 . 3]" 1
339 1 71 GLN H 1 71 GLN HB3 2.679 . 3.576 2.627 2.433 2.946 . 0 0 "[ . 1 . 2 . 3]" 1
340 1 36 GLU HA 1 36 GLU QB 2.108 . 2.663 2.388 2.339 2.499 . 0 0 "[ . 1 . 2 . 3]" 1
341 1 74 HIS H 1 74 HIS HB2 2.802 . 3.783 2.574 2.239 3.669 . 0 0 "[ . 1 . 2 . 3]" 1
342 1 93 THR HB 1 93 THR MG 1.928 . 2.325 2.126 2.121 2.129 . 0 0 "[ . 1 . 2 . 3]" 1
343 1 66 ASP HA 1 67 ASN H 3.618 . 5.254 3.573 3.559 3.588 . 0 0 "[ . 1 . 2 . 3]" 1
344 1 109 GLN H 1 109 GLN HB2 3.288 . 4.639 3.598 3.586 3.617 . 0 0 "[ . 1 . 2 . 3]" 1
345 1 8 THR H 1 120 ILE HB 3.006 . 4.136 2.973 2.685 3.994 . 0 0 "[ . 1 . 2 . 3]" 1
346 1 80 GLU HA 1 81 VAL H 3.720 . 5.450 3.535 3.520 3.554 . 0 0 "[ . 1 . 2 . 3]" 1
347 1 38 PRO HD3 1 38 PRO QG 2.382 . 3.091 2.197 2.191 2.258 . 0 0 "[ . 1 . 2 . 3]" 1
348 1 10 ASP H 1 10 ASP QB 2.692 . 3.598 2.526 2.076 2.599 . 0 0 "[ . 1 . 2 . 3]" 1
349 1 72 LEU MD2 1 72 LEU HG 2.137 . 2.708 2.126 2.122 2.129 . 0 0 "[ . 1 . 2 . 3]" 1
350 1 51 PHE HB2 1 52 ASN H 3.329 . 4.714 3.114 3.022 3.206 . 0 0 "[ . 1 . 2 . 3]" 1
351 1 69 VAL HA 1 81 VAL MG1 2.232 . 2.855 2.255 2.142 2.441 . 0 0 "[ . 1 . 2 . 3]" 1
352 1 56 LEU MD2 1 67 ASN HB2 2.688 . 2.969 2.489 2.374 2.598 . 0 0 "[ . 1 . 2 . 3]" 1
353 1 65 VAL H 1 65 VAL QG 2.090 . 2.636 2.005 1.834 2.038 . 0 0 "[ . 1 . 2 . 3]" 1
354 1 82 ARG HB3 1 82 ARG HD2 2.550 . 3.363 2.957 2.481 3.691 0.328 30 0 "[ . 1 . 2 . 3]" 1
355 1 82 ARG HB2 1 82 ARG HD2 2.604 . 3.452 2.715 2.335 3.884 0.432 17 0 "[ . 1 . 2 . 3]" 1
356 1 2 GLU HA 1 2 GLU HB2 2.281 . 2.931 2.919 2.420 3.019 0.088 14 0 "[ . 1 . 2 . 3]" 1
357 1 76 ARG QD 1 76 ARG HG3 2.298 . 2.958 2.311 2.167 2.408 . 0 0 "[ . 1 . 2 . 3]" 1
358 1 56 LEU H 1 56 LEU HB3 3.662 . 5.339 3.495 3.435 3.539 . 0 0 "[ . 1 . 2 . 3]" 1
359 1 70 HIS QB 1 71 GLN H 2.805 . 3.789 2.866 2.729 3.075 . 0 0 "[ . 1 . 2 . 3]" 1
360 1 69 VAL QG 1 78 ALA MB 1.958 . 2.437 1.935 1.887 2.008 . 0 0 "[ . 1 . 2 . 3]" 1
361 1 113 LEU HA 1 113 LEU HB3 2.766 . 3.722 3.010 3.006 3.015 . 0 0 "[ . 1 . 2 . 3]" 1
362 1 19 VAL HA 1 24 ILE H 3.446 . 4.930 3.134 3.025 3.301 . 0 0 "[ . 1 . 2 . 3]" 1
363 1 70 HIS H 1 70 HIS QB 2.401 . 3.121 2.272 2.114 2.370 . 0 0 "[ . 1 . 2 . 3]" 1
364 1 3 PHE H 1 3 PHE HB3 2.576 . 3.406 2.499 2.438 2.560 . 0 0 "[ . 1 . 2 . 3]" 1
365 1 100 TRP HB3 1 100 TRP HE3 2.851 . 3.867 2.797 2.698 2.900 . 0 0 "[ . 1 . 2 . 3]" 1
366 1 49 CYS H 1 49 CYS HB2 2.976 . 3.260 2.652 2.619 2.681 . 0 0 "[ . 1 . 2 . 3]" 1
367 1 57 PHE QD 1 63 PRO HD2 2.931 . 4.005 4.426 4.259 4.558 0.553 30 4 "[* . - 1 . 2 . * +]" 1
368 1 11 LEU HB3 1 11 LEU HG 2.396 . 3.114 2.491 2.473 2.511 . 0 0 "[ . 1 . 2 . 3]" 1
369 1 85 VAL QG 1 86 LEU H 2.696 . 3.604 2.869 2.419 2.930 . 0 0 "[ . 1 . 2 . 3]" 1
370 1 38 PRO HA 1 39 GLU H 1.962 . 2.443 2.178 2.139 2.226 . 0 0 "[ . 1 . 2 . 3]" 1
371 1 56 LEU HB2 1 57 PHE H 3.714 . 5.438 3.361 3.258 3.464 . 0 0 "[ . 1 . 2 . 3]" 1
372 1 28 TYR HB2 1 29 VAL H 2.662 . 3.548 2.808 2.704 2.893 . 0 0 "[ . 1 . 2 . 3]" 1
373 1 12 GLN QB 1 12 GLN HG3 2.239 . 2.866 2.291 2.165 2.366 . 0 0 "[ . 1 . 2 . 3]" 1
374 1 109 GLN HB2 1 109 GLN HG2 2.435 . 3.176 2.743 2.637 3.003 . 0 0 "[ . 1 . 2 . 3]" 1
375 1 49 CYS HA 1 49 CYS HB2 2.519 . 2.583 2.357 2.342 2.369 . 0 0 "[ . 1 . 2 . 3]" 1
376 1 85 VAL HA 1 86 LEU H 3.808 . 5.621 3.559 3.497 3.570 . 0 0 "[ . 1 . 2 . 3]" 1
377 1 72 LEU MD2 1 119 SER HG 2.864 . 3.889 2.937 2.753 3.160 . 0 0 "[ . 1 . 2 . 3]" 1
378 1 35 TRP H 1 35 TRP HB3 3.947 . 5.894 4.036 4.001 4.090 . 0 0 "[ . 1 . 2 . 3]" 1
379 1 39 GLU H 1 40 ASP H 3.929 . 5.859 3.960 3.814 4.134 . 0 0 "[ . 1 . 2 . 3]" 1
380 1 28 TYR HA 1 30 GLU H 4.377 . 6.772 4.419 4.298 4.622 . 0 0 "[ . 1 . 2 . 3]" 1
381 1 76 ARG HA 1 76 ARG HG3 2.151 . 2.729 2.876 2.710 3.156 0.427 20 0 "[ . 1 . 2 . 3]" 1
382 1 115 LEU HA 1 115 LEU QB 2.148 . 2.725 2.358 2.316 2.379 . 0 0 "[ . 1 . 2 . 3]" 1
383 1 102 PHE QD 1 103 ARG H 4.349 . 6.713 4.007 3.889 4.170 . 0 0 "[ . 1 . 2 . 3]" 1
384 1 73 ALA MB 1 81 VAL HB 2.259 . 2.897 2.300 2.077 2.417 . 0 0 "[ . 1 . 2 . 3]" 1
385 1 65 VAL H 1 65 VAL HB 2.255 . 2.891 2.548 2.494 2.972 0.081 6 0 "[ . 1 . 2 . 3]" 1
386 1 106 LYS HB2 1 106 LYS HG3 2.162 . 2.746 2.437 2.322 3.014 0.268 15 0 "[ . 1 . 2 . 3]" 1
387 1 116 ILE HB 1 117 LYS H 2.640 . 3.512 2.591 2.506 2.719 . 0 0 "[ . 1 . 2 . 3]" 1
388 1 31 LYS H 1 31 LYS HG2 3.616 . 5.250 3.329 3.207 3.444 . 0 0 "[ . 1 . 2 . 3]" 1
389 1 5 VAL H 1 6 SER H 4.567 . 6.682 4.551 4.487 4.596 . 0 0 "[ . 1 . 2 . 3]" 1
390 1 70 HIS HA 1 70 HIS QB 2.521 . 3.316 2.428 2.274 2.468 . 0 0 "[ . 1 . 2 . 3]" 1
391 1 92 ASN H 1 92 ASN HB3 2.536 . 3.340 2.581 2.465 3.112 . 0 0 "[ . 1 . 2 . 3]" 1
392 1 69 VAL QG 1 82 ARG HB2 2.279 . 2.928 2.104 2.034 2.204 . 0 0 "[ . 1 . 2 . 3]" 1
393 1 72 LEU H 1 73 ALA H 3.089 . 4.281 2.758 2.691 2.811 . 0 0 "[ . 1 . 2 . 3]" 1
394 1 12 GLN H 1 14 TYR H 4.336 . 6.686 4.370 4.166 4.578 . 0 0 "[ . 1 . 2 . 3]" 1
395 1 84 GLU HA 1 84 GLU QB 2.223 . 2.841 2.356 2.148 2.429 . 0 0 "[ . 1 . 2 . 3]" 1
396 1 111 ASN H 1 111 ASN HB2 2.688 . 3.591 2.865 2.534 3.848 0.257 18 0 "[ . 1 . 2 . 3]" 1
397 1 15 ARG HA 1 50 VAL QG 2.639 . 3.510 2.378 1.965 3.172 . 0 0 "[ . 1 . 2 . 3]" 1
398 1 92 ASN HB3 1 92 ASN QD 3.680 . 5.373 2.362 2.226 3.301 . 0 0 "[ . 1 . 2 . 3]" 1
399 1 47 ILE MG 1 102 PHE H 4.133 . 6.268 4.022 3.820 4.110 . 0 0 "[ . 1 . 2 . 3]" 1
400 1 60 THR H 1 60 THR MG 3.492 . 5.016 3.731 3.710 3.752 . 0 0 "[ . 1 . 2 . 3]" 1
401 1 100 TRP HB3 1 101 ALA MB 3.483 . 4.999 3.747 3.665 3.865 . 0 0 "[ . 1 . 2 . 3]" 1
402 1 76 ARG QD 1 76 ARG QG 1.896 . 2.345 2.064 1.993 2.086 . 0 0 "[ . 1 . 2 . 3]" 1
403 1 112 ASN HA 1 112 ASN HB3 2.709 . 2.911 2.519 2.460 2.653 . 0 0 "[ . 1 . 2 . 3]" 1
404 1 47 ILE HA 1 47 ILE MG 2.442 . 3.034 2.482 2.444 2.510 . 0 0 "[ . 1 . 2 . 3]" 1
405 1 72 LEU MD2 1 119 SER HB2 2.598 . 3.320 2.509 1.925 3.098 . 0 0 "[ . 1 . 2 . 3]" 1
406 1 62 GLY HA2 1 63 PRO HD3 2.392 . 2.977 2.763 2.561 3.282 0.305 9 0 "[ . 1 . 2 . 3]" 1
407 1 120 ILE H 1 120 ILE HB 3.744 . 5.496 3.659 3.619 3.697 . 0 0 "[ . 1 . 2 . 3]" 1
408 1 48 LYS HB3 1 49 CYS H 3.348 . 4.749 2.618 2.187 4.208 . 0 0 "[ . 1 . 2 . 3]" 1
409 1 18 CYS HB3 1 19 VAL H 3.759 . 5.525 3.762 3.689 3.862 . 0 0 "[ . 1 . 2 . 3]" 1
410 1 12 GLN H 1 12 GLN HB2 2.337 . 3.020 2.506 2.364 3.608 0.588 29 2 "[ . 1 . 2- . +3]" 1
411 1 68 LEU MD2 1 68 LEU HG 2.078 . 2.618 2.123 2.121 2.126 . 0 0 "[ . 1 . 2 . 3]" 1
412 1 82 ARG HB2 1 82 ARG QG 2.611 . 3.463 2.307 2.193 2.361 . 0 0 "[ . 1 . 2 . 3]" 1
413 1 116 ILE HA 1 116 ILE MG 2.317 . 2.988 2.430 2.366 2.500 . 0 0 "[ . 1 . 2 . 3]" 1
414 1 117 LYS H 1 117 LYS HA 2.548 . 3.360 2.818 2.803 2.843 . 0 0 "[ . 1 . 2 . 3]" 1
415 1 45 CYS H 1 45 CYS HB3 3.418 . 4.878 3.555 2.916 3.626 . 0 0 "[ . 1 . 2 . 3]" 1
416 1 109 GLN HA 1 109 GLN HB2 2.497 . 2.841 2.413 2.364 2.454 . 0 0 "[ . 1 . 2 . 3]" 1
417 1 22 LEU MD1 1 46 TYR HA 2.133 . 2.702 2.021 1.911 2.112 . 0 0 "[ . 1 . 2 . 3]" 1
418 1 24 ILE MD 1 46 TYR H 3.645 . 5.306 3.580 3.451 3.768 . 0 0 "[ . 1 . 2 . 3]" 1
419 1 31 LYS QE 1 31 LYS HG2 2.731 . 3.664 2.812 2.410 3.452 . 0 0 "[ . 1 . 2 . 3]" 1
420 1 120 ILE QG 1 121 LYS H 3.007 . 4.137 2.967 2.746 3.154 . 0 0 "[ . 1 . 2 . 3]" 1
421 1 8 THR HB 1 8 THR MG 2.063 . 2.572 2.131 2.125 2.137 . 0 0 "[ . 1 . 2 . 3]" 1
422 1 94 ASP H 1 94 ASP HB2 3.848 . 5.698 2.723 2.287 3.665 . 0 0 "[ . 1 . 2 . 3]" 1
423 1 4 THR HA 1 4 THR MG 1.990 . 2.485 2.189 2.123 2.754 0.269 28 0 "[ . 1 . 2 . 3]" 1
424 1 103 ARG HB3 1 103 ARG HG2 2.703 . 3.616 2.411 2.208 2.705 . 0 0 "[ . 1 . 2 . 3]" 1
425 1 53 LYS HA 1 53 LYS HB3 2.638 . 3.508 2.606 2.532 2.661 . 0 0 "[ . 1 . 2 . 3]" 1
426 1 4 THR H 1 5 VAL H 4.392 . 6.350 4.332 3.859 4.456 . 0 0 "[ . 1 . 2 . 3]" 1
427 1 63 PRO HD3 1 63 PRO HG2 2.455 . 3.208 2.763 2.699 2.981 . 0 0 "[ . 1 . 2 . 3]" 1
428 1 68 LEU HB2 1 68 LEU MD1 2.041 . 2.562 2.226 2.205 2.246 . 0 0 "[ . 1 . 2 . 3]" 1
429 1 36 GLU H 1 37 PHE H 3.898 . 5.797 4.164 4.088 4.252 . 0 0 "[ . 1 . 2 . 3]" 1
430 1 111 ASN HB2 1 111 ASN HD21 3.395 . 4.836 2.670 2.201 3.486 . 0 0 "[ . 1 . 2 . 3]" 1
431 1 117 LYS HB3 1 117 LYS HG2 2.691 . 3.352 2.431 2.390 2.457 . 0 0 "[ . 1 . 2 . 3]" 1
432 1 72 LEU H 1 72 LEU MD1 3.529 . 5.086 3.594 3.534 3.635 . 0 0 "[ . 1 . 2 . 3]" 1
433 1 15 ARG HA 1 19 VAL H 4.099 . 6.200 4.114 3.902 4.232 . 0 0 "[ . 1 . 2 . 3]" 1
434 1 72 LEU HA 1 72 LEU HB3 2.538 . 3.343 2.523 2.509 2.539 . 0 0 "[ . 1 . 2 . 3]" 1
435 1 25 PRO HD2 1 25 PRO HG2 2.414 . 3.143 2.311 2.305 2.315 . 0 0 "[ . 1 . 2 . 3]" 1
436 1 69 VAL H 1 69 VAL HB 2.223 . 2.841 2.532 2.472 3.578 0.737 1 1 "[+ . 1 . 2 . 3]" 1
437 1 57 PHE HA 1 64 LEU HG 2.579 . 3.411 2.977 2.449 5.210 1.799 13 5 "[ . * * -+ . 2 . *3]" 1
438 1 16 THR H 1 16 THR MG 3.487 . 5.007 3.711 3.647 3.758 . 0 0 "[ . 1 . 2 . 3]" 1
439 1 110 LYS HB3 1 111 ASN H 2.918 . 3.982 2.898 2.680 3.223 . 0 0 "[ . 1 . 2 . 3]" 1
440 1 44 MET HA 1 102 PHE QD 2.544 . 3.353 2.631 2.541 2.775 . 0 0 "[ . 1 . 2 . 3]" 1
441 1 12 GLN HB3 1 12 GLN QG 2.385 . 3.096 2.347 2.299 2.421 . 0 0 "[ . 1 . 2 . 3]" 1
442 1 39 GLU HB3 1 39 GLU QG 2.330 . 3.008 2.300 2.162 2.386 . 0 0 "[ . 1 . 2 . 3]" 1
443 1 46 TYR H 1 46 TYR HB2 2.509 . 3.296 2.742 2.715 2.783 . 0 0 "[ . 1 . 2 . 3]" 1
444 1 13 ARG H 1 13 ARG HB3 2.533 . 3.335 2.593 2.375 3.609 0.274 1 0 "[ . 1 . 2 . 3]" 1
445 1 114 SER HA 1 115 LEU H 3.749 . 5.506 3.517 3.500 3.542 . 0 0 "[ . 1 . 2 . 3]" 1
446 1 43 THR H 1 43 THR MG 3.673 . 5.359 3.734 3.715 3.753 . 0 0 "[ . 1 . 2 . 3]" 1
447 1 53 LYS HB3 1 53 LYS QG 2.499 . 3.280 2.355 2.174 2.462 . 0 0 "[ . 1 . 2 . 3]" 1
448 1 110 LYS HA 1 110 LYS HG3 2.689 . 3.498 2.733 2.452 3.654 0.156 4 0 "[ . 1 . 2 . 3]" 1
449 1 5 VAL HA 1 6 SER H 2.092 . 2.639 2.221 2.120 2.361 . 0 0 "[ . 1 . 2 . 3]" 1
450 1 86 LEU H 1 88 CYS H 4.109 . 6.068 4.046 3.956 4.316 . 0 0 "[ . 1 . 2 . 3]" 1
451 1 46 TYR QE 1 50 VAL QG 2.650 . 3.528 2.758 2.647 2.966 . 0 0 "[ . 1 . 2 . 3]" 1
452 1 63 PRO HD2 1 63 PRO HG3 2.620 . 3.478 2.935 2.698 2.999 . 0 0 "[ . 1 . 2 . 3]" 1
453 1 13 ARG HA 1 13 ARG QB 2.083 . 2.625 2.351 2.296 2.423 . 0 0 "[ . 1 . 2 . 3]" 1
454 1 28 TYR QE 1 42 THR HB 3.494 . 5.020 3.345 2.442 3.959 . 0 0 "[ . 1 . 2 . 3]" 1
455 1 24 ILE MD 1 24 ILE HG12 2.251 . 2.884 2.115 2.112 2.117 . 0 0 "[ . 1 . 2 . 3]" 1
456 1 34 LYS HA 1 34 LYS HB3 2.746 . 3.689 2.565 2.501 2.653 . 0 0 "[ . 1 . 2 . 3]" 1
457 1 5 VAL HB 1 6 SER H 2.947 . 4.033 2.955 2.721 3.137 . 0 0 "[ . 1 . 2 . 3]" 1
458 1 98 CYS H 1 98 CYS HB3 3.587 . 5.196 3.626 3.602 3.647 . 0 0 "[ . 1 . 2 . 3]" 1
459 1 89 VAL HB 1 90 ASP H 4.004 . 6.008 4.302 4.053 4.443 . 0 0 "[ . 1 . 2 . 3]" 1
460 1 103 ARG HD2 1 103 ARG HG2 2.652 . 3.240 2.536 2.293 3.020 . 0 0 "[ . 1 . 2 . 3]" 1
461 1 50 VAL H 1 50 VAL HA 2.519 . 3.312 2.796 2.777 2.859 . 0 0 "[ . 1 . 2 . 3]" 1
462 1 47 ILE HB 1 47 ILE HG12 2.701 . 3.613 2.439 2.430 2.452 . 0 0 "[ . 1 . 2 . 3]" 1
463 1 48 LYS HA 1 48 LYS HB3 2.588 . 3.425 2.893 2.237 3.024 . 0 0 "[ . 1 . 2 . 3]" 1
464 1 103 ARG QB 1 103 ARG HD3 2.719 . 3.643 2.728 2.264 3.332 . 0 0 "[ . 1 . 2 . 3]" 1
465 1 11 LEU HB2 1 11 LEU MD1 2.165 . 2.751 2.325 2.304 2.345 . 0 0 "[ . 1 . 2 . 3]" 1
466 1 108 PHE HB2 1 109 GLN H 3.749 . 5.506 3.704 3.618 3.783 . 0 0 "[ . 1 . 2 . 3]" 1
467 1 26 ALA MB 1 27 ASP H 2.933 . 3.021 2.659 2.572 2.745 . 0 0 "[ . 1 . 2 . 3]" 1
468 1 56 LEU HB3 1 56 LEU MD2 2.468 . 2.924 2.343 2.323 2.373 . 0 0 "[ . 1 . 2 . 3]" 1
469 1 3 PHE QD 1 5 VAL QG 2.699 . 3.609 2.681 1.943 3.049 . 0 0 "[ . 1 . 2 . 3]" 1
470 1 24 ILE MG 1 28 TYR HB2 2.546 . 2.875 2.316 2.161 2.441 . 0 0 "[ . 1 . 2 . 3]" 1
471 1 47 ILE HB 1 47 ILE HG13 2.784 . 3.635 2.482 2.472 2.489 . 0 0 "[ . 1 . 2 . 3]" 1
472 1 43 THR H 1 43 THR HG1 3.651 . 5.317 3.074 1.905 3.440 0.080 21 0 "[ . 1 . 2 . 3]" 1
473 1 24 ILE HA 1 25 PRO HD2 2.276 . 2.924 2.445 2.370 2.497 . 0 0 "[ . 1 . 2 . 3]" 1
474 1 18 CYS H 1 50 VAL QG 4.334 . 6.682 3.970 3.857 4.109 . 0 0 "[ . 1 . 2 . 3]" 1
475 1 89 VAL HA 1 89 VAL MG1 2.100 . 2.651 2.382 2.310 2.435 . 0 0 "[ . 1 . 2 . 3]" 1
476 1 25 PRO HD2 1 28 TYR QD 2.840 . 3.848 2.840 2.573 3.125 . 0 0 "[ . 1 . 2 . 3]" 1
477 1 24 ILE H 1 24 ILE HG13 3.241 . 4.554 3.490 3.441 3.545 . 0 0 "[ . 1 . 2 . 3]" 1
478 1 33 LYS H 1 33 LYS HB2 2.756 . 3.705 2.318 2.142 2.642 . 0 0 "[ . 1 . 2 . 3]" 1
479 1 22 LEU H 1 22 LEU HB3 3.285 . 4.634 3.595 3.562 3.611 . 0 0 "[ . 1 . 2 . 3]" 1
480 1 115 LEU H 1 115 LEU HB3 2.390 . 3.104 2.511 2.389 2.569 . 0 0 "[ . 1 . 2 . 3]" 1
481 1 91 LYS QB 1 93 THR MG 2.323 . 2.998 2.417 2.052 3.979 0.981 1 2 "[+ . -1 . 2 . 3]" 1
482 1 50 VAL HA 1 50 VAL HB 2.754 . 3.702 2.962 2.240 3.018 . 0 0 "[ . 1 . 2 . 3]" 1
483 1 3 PHE HB2 1 3 PHE QD 2.269 . 2.912 2.457 2.357 2.718 . 0 0 "[ . 1 . 2 . 3]" 1
484 1 112 ASN HB3 1 115 LEU QB 2.797 . 3.775 2.481 2.059 2.622 . 0 0 "[ . 1 . 2 . 3]" 1
485 1 112 ASN HA 1 115 LEU H 3.772 . 5.550 3.715 3.497 3.874 . 0 0 "[ . 1 . 2 . 3]" 1
486 1 34 LYS HA 1 35 TRP HD1 3.481 . 4.996 3.366 3.145 3.589 . 0 0 "[ . 1 . 2 . 3]" 1
487 1 107 CYS H 1 107 CYS HB3 2.384 . 3.095 2.333 2.298 2.358 . 0 0 "[ . 1 . 2 . 3]" 1
488 1 82 ARG QG 1 83 THR H 3.903 . 5.807 3.736 3.651 3.858 . 0 0 "[ . 1 . 2 . 3]" 1
489 1 29 VAL HA 1 29 VAL HB 2.737 . 3.673 3.011 3.006 3.014 . 0 0 "[ . 1 . 2 . 3]" 1
490 1 18 CYS H 1 21 SER H 4.662 . 7.378 4.735 4.626 4.802 . 0 0 "[ . 1 . 2 . 3]" 1
491 1 103 ARG HA 1 106 LYS HB3 3.070 . 3.526 2.707 2.484 3.423 . 0 0 "[ . 1 . 2 . 3]" 1
492 1 73 ALA MB 1 81 VAL MG2 2.300 . 2.542 2.033 1.937 2.095 . 0 0 "[ . 1 . 2 . 3]" 1
493 1 98 CYS HB2 1 99 HIS H 2.790 . 3.763 2.662 2.536 2.790 . 0 0 "[ . 1 . 2 . 3]" 1
494 1 52 ASN H 1 52 ASN QD 4.550 . 7.138 4.269 3.713 4.532 . 0 0 "[ . 1 . 2 . 3]" 1
495 1 32 PHE H 1 32 PHE HA 2.495 . 3.273 2.795 2.773 2.871 . 0 0 "[ . 1 . 2 . 3]" 1
496 1 101 ALA HA 1 101 ALA MB 2.045 . 2.568 2.129 2.125 2.133 . 0 0 "[ . 1 . 2 . 3]" 1
497 1 19 VAL MG2 1 24 ILE HB 2.234 . 2.858 2.278 2.193 2.366 . 0 0 "[ . 1 . 2 . 3]" 1
498 1 38 PRO HB3 1 38 PRO HG2 2.544 . 2.914 2.664 2.645 2.993 0.079 1 0 "[ . 1 . 2 . 3]" 1
499 1 22 LEU HB3 1 24 ILE MD 2.364 . 2.996 2.339 2.279 2.450 . 0 0 "[ . 1 . 2 . 3]" 1
500 1 86 LEU HA 1 89 VAL MG2 1.981 . 2.471 2.152 2.046 2.463 . 0 0 "[ . 1 . 2 . 3]" 1
501 1 76 ARG HA 1 76 ARG HB2 2.675 . 3.569 2.954 2.932 2.986 . 0 0 "[ . 1 . 2 . 3]" 1
502 1 50 VAL HA 1 50 VAL QG 2.157 . 2.638 2.127 2.088 2.558 . 0 0 "[ . 1 . 2 . 3]" 1
503 1 22 LEU HA 1 22 LEU HB2 2.904 . 3.958 3.012 3.002 3.018 . 0 0 "[ . 1 . 2 . 3]" 1
504 1 35 TRP H 1 35 TRP HB2 3.113 . 4.324 3.430 3.373 3.510 . 0 0 "[ . 1 . 2 . 3]" 1
505 1 108 PHE H 1 108 PHE HB3 2.571 . 3.397 2.651 2.590 2.705 . 0 0 "[ . 1 . 2 . 3]" 1
506 1 19 VAL MG1 1 20 SER H 2.560 . 3.379 2.747 2.687 2.845 . 0 0 "[ . 1 . 2 . 3]" 1
507 1 93 THR HB 1 94 ASP H 3.937 . 5.875 4.031 3.763 4.256 . 0 0 "[ . 1 . 2 . 3]" 1
508 1 22 LEU MD1 1 49 CYS HB3 2.572 . 3.182 2.447 2.353 2.528 . 0 0 "[ . 1 . 2 . 3]" 1
509 1 72 LEU MD1 1 72 LEU MD2 2.047 . 2.455 2.070 2.066 2.074 . 0 0 "[ . 1 . 2 . 3]" 1
510 1 33 LYS HA 1 33 LYS HG2 2.620 . 2.855 2.941 2.331 3.721 0.866 20 2 "[ - . 1 . + . 3]" 1
511 1 44 MET H 1 44 MET HB3 3.422 . 4.885 3.589 3.566 3.598 . 0 0 "[ . 1 . 2 . 3]" 1
512 1 113 LEU H 1 113 LEU HB3 2.529 . 3.329 2.414 2.388 2.449 . 0 0 "[ . 1 . 2 . 3]" 1
513 1 41 ASP HA 1 41 ASP HB2 2.623 . 3.096 2.693 2.408 3.029 . 0 0 "[ . 1 . 2 . 3]" 1
514 1 19 VAL HA 1 24 ILE HB 2.211 . 2.822 2.295 2.152 2.371 . 0 0 "[ . 1 . 2 . 3]" 1
515 1 22 LEU H 1 23 ASN H 2.900 . 3.951 2.645 2.557 2.710 . 0 0 "[ . 1 . 2 . 3]" 1
516 1 22 LEU MD1 1 49 CYS HB2 2.492 . 2.820 2.227 2.131 2.309 . 0 0 "[ . 1 . 2 . 3]" 1
517 1 19 VAL HA 1 24 ILE HG13 2.450 . 3.200 2.268 2.167 2.403 . 0 0 "[ . 1 . 2 . 3]" 1
518 1 61 GLU HB2 1 61 GLU HG3 2.215 . 2.828 2.424 2.366 2.470 . 0 0 "[ . 1 . 2 . 3]" 1
519 1 68 LEU HA 1 71 GLN HB2 3.343 . 4.740 3.779 3.257 4.188 . 0 0 "[ . 1 . 2 . 3]" 1
520 1 121 LYS HA 1 121 LYS HB3 2.486 . 3.259 3.019 2.985 3.030 . 0 0 "[ . 1 . 2 . 3]" 1
521 1 64 LEU HA 1 64 LEU HB2 2.841 . 3.850 3.022 3.017 3.028 . 0 0 "[ . 1 . 2 . 3]" 1
522 1 102 PHE HA 1 102 PHE HB3 2.925 . 3.994 3.019 3.016 3.022 . 0 0 "[ . 1 . 2 . 3]" 1
523 1 27 ASP HA 1 28 TYR H 3.808 . 5.620 3.569 3.555 3.583 . 0 0 "[ . 1 . 2 . 3]" 1
524 1 92 ASN QD 1 96 ASN H 3.542 . 5.110 3.393 2.093 4.820 . 0 0 "[ . 1 . 2 . 3]" 1
525 1 36 GLU HA 1 36 GLU HG2 2.790 . 3.763 2.821 2.410 3.793 0.030 11 0 "[ . 1 . 2 . 3]" 1
526 1 112 ASN H 1 112 ASN HB2 2.881 . 3.919 2.682 2.578 2.805 . 0 0 "[ . 1 . 2 . 3]" 1
527 1 14 TYR H 1 14 TYR HA 2.745 . 3.687 2.821 2.783 2.865 . 0 0 "[ . 1 . 2 . 3]" 1
528 1 25 PRO HA 1 26 ALA H 1.988 . 2.482 2.151 2.130 2.177 . 0 0 "[ . 1 . 2 . 3]" 1
529 1 102 PHE H 1 102 PHE HB3 2.634 . 3.501 2.523 2.471 2.581 . 0 0 "[ . 1 . 2 . 3]" 1
530 1 103 ARG HB2 1 103 ARG HG2 2.619 . 3.476 2.999 2.877 3.014 . 0 0 "[ . 1 . 2 . 3]" 1
531 1 37 PHE HA 1 38 PRO HD2 2.493 . 3.270 2.437 1.949 2.522 . 0 0 "[ . 1 . 2 . 3]" 1
532 1 14 TYR H 1 14 TYR HB3 3.545 . 4.839 3.603 3.579 3.625 . 0 0 "[ . 1 . 2 . 3]" 1
533 1 6 SER H 1 6 SER QB 2.676 . 3.571 2.599 2.452 2.787 . 0 0 "[ . 1 . 2 . 3]" 1
534 1 38 PRO HD2 1 43 THR MG 2.835 . 3.470 2.718 2.431 2.939 . 0 0 "[ . 1 . 2 . 3]" 1
535 1 109 GLN HB2 1 116 ILE MD 2.717 . 3.640 2.764 2.647 2.873 . 0 0 "[ . 1 . 2 . 3]" 1
536 1 116 ILE H 1 116 ILE HA 2.652 . 3.531 2.821 2.791 2.837 . 0 0 "[ . 1 . 2 . 3]" 1
537 1 113 LEU MD1 1 116 ILE MD 2.075 . 2.613 2.153 2.046 2.264 . 0 0 "[ . 1 . 2 . 3]" 1
538 1 83 THR HA 1 86 LEU HB2 2.762 . 3.716 2.830 2.691 3.013 . 0 0 "[ . 1 . 2 . 3]" 1
539 1 81 VAL HA 1 81 VAL MG2 2.002 . 2.503 2.261 2.226 2.291 . 0 0 "[ . 1 . 2 . 3]" 1
540 1 25 PRO HA 1 25 PRO HB3 2.377 . 2.524 2.264 2.256 2.274 . 0 0 "[ . 1 . 2 . 3]" 1
541 1 113 LEU HB2 1 113 LEU MD2 2.234 . 2.858 2.396 2.369 2.418 . 0 0 "[ . 1 . 2 . 3]" 1
542 1 61 GLU HA 1 61 GLU HB3 2.106 . 2.660 2.336 2.325 2.368 . 0 0 "[ . 1 . 2 . 3]" 1
543 1 30 GLU H 1 30 GLU HB2 2.998 . 4.122 2.843 2.777 3.104 . 0 0 "[ . 1 . 2 . 3]" 1
544 1 58 ASP H 1 62 GLY H 3.625 . 5.268 3.490 3.397 3.623 . 0 0 "[ . 1 . 2 . 3]" 1
545 1 19 VAL MG1 1 20 SER HA 2.653 . 3.463 2.879 2.816 2.976 . 0 0 "[ . 1 . 2 . 3]" 1
546 1 62 GLY H 1 62 GLY HA3 2.356 . 3.050 2.897 2.872 2.927 . 0 0 "[ . 1 . 2 . 3]" 1
547 1 88 CYS HB3 2 1 ACD H191 2.975 . 4.081 3.224 3.092 4.760 0.679 20 1 "[ . 1 . + . 3]" 1
548 1 102 PHE H 1 102 PHE HB2 2.699 . 3.610 2.528 2.496 2.591 . 0 0 "[ . 1 . 2 . 3]" 1
549 1 3 PHE HA 1 4 THR H 1.974 . 2.439 2.121 2.087 2.181 . 0 0 "[ . 1 . 2 . 3]" 1
550 1 65 VAL QG 1 82 ARG QG 2.390 . 3.104 2.155 2.035 2.351 . 0 0 "[ . 1 . 2 . 3]" 1
551 1 33 LYS HA 1 33 LYS HB3 2.728 . 3.658 3.002 2.980 3.024 . 0 0 "[ . 1 . 2 . 3]" 1
552 1 58 ASP H 1 58 ASP HB3 2.672 . 3.564 2.582 2.484 2.641 . 0 0 "[ . 1 . 2 . 3]" 1
553 1 109 GLN HA 1 109 GLN HB3 2.553 . 2.963 2.460 2.410 2.522 . 0 0 "[ . 1 . 2 . 3]" 1
554 1 55 GLN HB3 1 67 ASN HD22 2.973 . 4.078 3.186 2.648 3.502 . 0 0 "[ . 1 . 2 . 3]" 1
555 1 37 PHE HA 1 37 PHE HB3 2.671 . 3.563 2.439 2.417 2.455 . 0 0 "[ . 1 . 2 . 3]" 1
556 1 83 THR HB 1 83 THR MG 1.962 . 2.404 2.133 2.124 2.136 . 0 0 "[ . 1 . 2 . 3]" 1
557 1 6 SER QB 1 54 MET ME 2.644 . 3.518 2.399 1.851 3.973 0.455 22 0 "[ . 1 . 2 . 3]" 1
558 1 109 GLN HA 1 112 ASN H 2.825 . 3.823 3.122 2.958 3.272 . 0 0 "[ . 1 . 2 . 3]" 1
559 1 69 VAL QG 1 78 ALA HA 2.321 . 2.994 2.453 2.276 3.205 0.211 1 0 "[ . 1 . 2 . 3]" 1
560 1 64 LEU HB2 1 64 LEU HG 2.605 . 3.453 2.506 2.473 2.561 . 0 0 "[ . 1 . 2 . 3]" 1
561 1 57 PHE HA 1 58 ASP H 2.164 . 2.749 2.172 2.141 2.218 . 0 0 "[ . 1 . 2 . 3]" 1
562 1 112 ASN HB3 1 115 LEU HB3 2.945 . 4.029 2.609 2.102 2.791 . 0 0 "[ . 1 . 2 . 3]" 1
563 1 52 ASN HB2 1 52 ASN QD 4.028 . 6.056 2.723 2.237 3.338 . 0 0 "[ . 1 . 2 . 3]" 1
564 1 17 GLU HB2 1 17 GLU HG2 2.535 . 3.338 2.780 2.439 3.015 . 0 0 "[ . 1 . 2 . 3]" 1
565 1 117 LYS QE 1 117 LYS HG2 2.786 . 3.524 2.500 2.358 2.840 . 0 0 "[ . 1 . 2 . 3]" 1
566 1 117 LYS HB2 1 117 LYS QD 2.641 . 3.513 2.403 2.352 2.439 . 0 0 "[ . 1 . 2 . 3]" 1
567 1 102 PHE QE 1 106 LYS QD 2.803 . 3.785 2.821 2.610 3.685 . 0 0 "[ . 1 . 2 . 3]" 1
568 1 61 GLU HB2 1 62 GLY H 3.745 . 5.498 3.291 2.984 3.549 . 0 0 "[ . 1 . 2 . 3]" 1
569 1 113 LEU H 1 115 LEU H 4.158 . 6.319 4.024 3.904 4.178 . 0 0 "[ . 1 . 2 . 3]" 1
570 1 82 ARG HB2 1 83 THR H 3.519 . 5.067 3.737 3.672 3.798 . 0 0 "[ . 1 . 2 . 3]" 1
571 1 3 PHE HB3 1 3 PHE QD 2.242 . 2.870 2.326 2.272 2.406 . 0 0 "[ . 1 . 2 . 3]" 1
572 1 52 ASN H 1 52 ASN HB2 2.588 . 3.425 2.590 2.246 2.753 . 0 0 "[ . 1 . 2 . 3]" 1
573 1 43 THR HA 1 46 TYR HB3 2.402 . 3.123 2.398 2.294 2.548 . 0 0 "[ . 1 . 2 . 3]" 1
574 1 44 MET H 1 44 MET HA 2.845 . 3.857 2.820 2.781 2.835 . 0 0 "[ . 1 . 2 . 3]" 1
575 1 55 GLN HA 1 57 PHE H 3.742 . 5.492 3.620 3.452 3.743 . 0 0 "[ . 1 . 2 . 3]" 1
576 1 15 ARG HA 1 15 ARG HG2 3.210 . 4.498 3.238 2.290 3.867 . 0 0 "[ . 1 . 2 . 3]" 1
577 1 24 ILE MD 1 42 THR MG 2.017 . 2.526 2.028 1.904 2.163 . 0 0 "[ . 1 . 2 . 3]" 1
578 1 87 LYS HA 1 87 LYS HG3 2.801 . 3.781 2.951 2.596 3.776 . 0 0 "[ . 1 . 2 . 3]" 1
579 1 85 VAL HB 1 86 LEU H 2.527 . 3.325 2.561 2.395 4.221 0.896 10 1 "[ . + . 2 . 3]" 1
580 1 108 PHE QE 1 115 LEU MD2 2.319 . 2.991 2.331 2.247 2.413 . 0 0 "[ . 1 . 2 . 3]" 1
581 1 47 ILE HA 1 50 VAL HB 2.590 . 3.429 2.925 2.623 5.406 1.977 28 2 "[ . 1 . - 2 . + 3]" 1
582 1 106 LYS HA 1 109 GLN HG2 2.672 . 3.226 2.460 2.195 2.636 . 0 0 "[ . 1 . 2 . 3]" 1
583 1 2 GLU HB3 1 3 PHE H 4.478 . 6.985 3.675 3.062 4.424 . 0 0 "[ . 1 . 2 . 3]" 1
584 1 98 CYS HA 1 98 CYS HB3 2.613 . 3.466 2.449 2.426 2.474 . 0 0 "[ . 1 . 2 . 3]" 1
585 1 104 GLY HA2 1 105 PHE H 3.610 . 5.239 3.541 3.531 3.552 . 0 0 "[ . 1 . 2 . 3]" 1
586 1 43 THR HB 1 43 THR HG1 2.618 . 3.475 2.386 2.144 2.492 . 0 0 "[ . 1 . 2 . 3]" 1
587 1 107 CYS H 1 107 CYS HB2 2.452 . 3.203 2.692 2.647 2.788 . 0 0 "[ . 1 . 2 . 3]" 1
588 1 67 ASN HB2 1 67 ASN HD22 2.782 . 3.749 3.719 3.498 3.796 0.047 11 0 "[ . 1 . 2 . 3]" 1
589 1 60 THR H 1 61 GLU H 2.835 . 3.840 2.488 2.234 2.628 . 0 0 "[ . 1 . 2 . 3]" 1
590 1 12 GLN HA 1 12 GLN QG 2.537 . 3.342 2.577 2.365 3.341 . 0 0 "[ . 1 . 2 . 3]" 1
591 1 103 ARG HA 1 103 ARG HG2 2.745 . 2.820 3.036 2.388 3.629 0.809 21 2 "[ . 1 -. 2+ . 3]" 1
592 1 32 PHE H 1 32 PHE HB3 3.608 . 5.235 3.595 3.574 3.640 . 0 0 "[ . 1 . 2 . 3]" 1
593 1 7 THR H 1 10 ASP H 3.982 . 5.597 3.512 3.334 3.787 . 0 0 "[ . 1 . 2 . 3]" 1
594 1 47 ILE H 1 47 ILE HG13 3.702 . 5.415 3.695 3.657 3.743 . 0 0 "[ . 1 . 2 . 3]" 1
595 1 57 PHE HA 1 57 PHE HB2 2.691 . 3.596 2.434 2.419 2.460 . 0 0 "[ . 1 . 2 . 3]" 1
596 1 113 LEU MD1 1 117 LYS H 3.829 . 5.662 3.848 3.741 3.938 . 0 0 "[ . 1 . 2 . 3]" 1
597 1 58 ASP HB2 1 59 ASP H 4.083 . 6.167 4.041 3.878 4.151 . 0 0 "[ . 1 . 2 . 3]" 1
598 1 89 VAL HB 1 89 VAL MG2 2.013 . 2.519 2.127 2.124 2.129 . 0 0 "[ . 1 . 2 . 3]" 1
599 1 102 PHE HA 1 105 PHE HB2 2.977 . 4.085 3.939 3.667 4.106 0.021 4 0 "[ . 1 . 2 . 3]" 1
600 1 85 VAL H 1 85 VAL HB 2.317 . 2.988 2.427 2.363 3.664 0.676 10 1 "[ . + . 2 . 3]" 1
601 1 85 VAL HB 1 85 VAL QG 2.032 . 2.548 1.894 1.881 1.896 . 0 0 "[ . 1 . 2 . 3]" 1
602 1 52 ASN HB2 1 53 LYS H 2.560 . 3.379 3.713 2.614 3.960 0.581 11 9 "[** *. 1+** . 2 * .*- 3]" 1
603 1 23 ASN H 1 24 ILE H 3.062 . 4.234 2.775 2.728 2.824 . 0 0 "[ . 1 . 2 . 3]" 1
604 1 24 ILE MD 1 24 ILE HG13 2.428 . 2.834 2.122 2.118 2.126 . 0 0 "[ . 1 . 2 . 3]" 1
605 1 86 LEU HA 1 88 CYS H 3.754 . 5.516 3.634 3.508 3.762 . 0 0 "[ . 1 . 2 . 3]" 1
606 1 27 ASP H 1 28 TYR H 3.139 . 4.371 2.917 2.757 3.026 . 0 0 "[ . 1 . 2 . 3]" 1
607 1 111 ASN HA 1 111 ASN HB3 2.416 . 2.686 2.506 2.407 2.784 0.098 19 0 "[ . 1 . 2 . 3]" 1
608 1 68 LEU HB3 1 68 LEU HG 2.910 . 3.969 3.006 3.000 3.010 . 0 0 "[ . 1 . 2 . 3]" 1
609 1 95 ASN H 1 95 ASN HA 2.007 . 2.511 2.248 2.237 2.257 . 0 0 "[ . 1 . 2 . 3]" 1
610 1 6 SER HA 1 7 THR H 2.370 . 3.072 2.196 2.147 2.244 . 0 0 "[ . 1 . 2 . 3]" 1
611 1 24 ILE MG 1 25 PRO HD2 2.345 . 3.032 2.466 2.389 2.576 . 0 0 "[ . 1 . 2 . 3]" 1
612 1 30 GLU HB2 1 31 LYS H 2.856 . 3.876 2.885 2.599 4.205 0.329 22 0 "[ . 1 . 2 . 3]" 1
613 1 71 GLN HB2 1 72 LEU H 3.176 . 4.437 3.513 3.239 3.666 . 0 0 "[ . 1 . 2 . 3]" 1
614 1 46 TYR HB2 1 46 TYR QD 2.662 . 3.548 2.557 2.513 2.590 . 0 0 "[ . 1 . 2 . 3]" 1
615 1 39 GLU QG 1 44 MET ME 2.298 . 2.958 2.352 2.136 3.259 0.301 7 0 "[ . 1 . 2 . 3]" 1
616 1 110 LYS HB3 1 110 LYS HG2 2.100 . 2.651 2.483 2.315 3.002 0.351 4 0 "[ . 1 . 2 . 3]" 1
617 1 28 TYR H 1 29 VAL H 2.973 . 4.078 2.686 2.605 2.744 . 0 0 "[ . 1 . 2 . 3]" 1
618 1 31 LYS H 1 31 LYS HB2 2.674 . 3.568 2.634 2.493 3.329 . 0 0 "[ . 1 . 2 . 3]" 1
619 1 33 LYS HA 1 34 LYS H 3.806 . 5.617 3.467 3.352 3.531 . 0 0 "[ . 1 . 2 . 3]" 1
620 1 84 GLU HG2 1 112 ASN HD22 3.640 . 5.296 3.877 3.700 4.438 . 0 0 "[ . 1 . 2 . 3]" 1
621 1 55 GLN HB2 1 55 GLN HG2 2.457 . 2.928 2.854 2.392 3.005 0.077 30 0 "[ . 1 . 2 . 3]" 1
622 1 36 GLU QB 1 37 PHE H 3.460 . 4.956 3.583 3.361 3.884 . 0 0 "[ . 1 . 2 . 3]" 1
623 1 43 THR HB 1 43 THR MG 2.348 . 2.941 2.135 2.129 2.140 . 0 0 "[ . 1 . 2 . 3]" 1
624 1 112 ASN HB3 1 115 LEU HB2 2.993 . 4.113 3.139 2.940 3.404 . 0 0 "[ . 1 . 2 . 3]" 1
625 1 69 VAL HA 1 72 LEU HB2 3.162 . 4.412 3.083 2.826 3.214 . 0 0 "[ . 1 . 2 . 3]" 1
626 1 56 LEU HB3 1 57 PHE H 3.834 . 5.671 3.679 3.556 3.777 . 0 0 "[ . 1 . 2 . 3]" 1
627 1 19 VAL HA 1 24 ILE HG12 2.498 . 3.278 2.314 2.253 2.355 . 0 0 "[ . 1 . 2 . 3]" 1
628 1 76 ARG HA 1 76 ARG HG2 3.048 . 4.209 2.292 2.156 2.489 . 0 0 "[ . 1 . 2 . 3]" 1
629 1 72 LEU H 1 72 LEU HA 2.584 . 3.419 2.800 2.777 2.816 . 0 0 "[ . 1 . 2 . 3]" 1
630 1 98 CYS HB3 1 99 HIS H 3.734 . 5.477 3.738 3.643 3.862 . 0 0 "[ . 1 . 2 . 3]" 1
631 1 32 PHE QE 1 38 PRO HD2 2.658 . 3.541 2.459 1.910 2.801 . 0 0 "[ . 1 . 2 . 3]" 1
632 1 60 THR MG 1 61 GLU H 2.570 . 3.395 2.798 2.711 2.991 . 0 0 "[ . 1 . 2 . 3]" 1
633 1 79 GLU HB2 1 80 GLU H 2.547 . 3.358 2.571 2.386 2.747 . 0 0 "[ . 1 . 2 . 3]" 1
634 1 81 VAL HB 1 82 ARG H 2.459 . 3.215 2.482 2.425 2.553 . 0 0 "[ . 1 . 2 . 3]" 1
635 1 65 VAL H 1 66 ASP H 3.181 . 4.446 2.925 2.834 2.962 . 0 0 "[ . 1 . 2 . 3]" 1
636 1 42 THR H 1 43 THR H 3.267 . 4.601 2.868 2.562 2.977 . 0 0 "[ . 1 . 2 . 3]" 1
637 1 79 GLU H 1 79 GLU HG2 3.446 . 4.930 3.483 3.353 3.658 . 0 0 "[ . 1 . 2 . 3]" 1
638 1 35 TRP HZ3 1 116 ILE MG 2.528 . 3.327 2.395 2.297 2.513 . 0 0 "[ . 1 . 2 . 3]" 1
639 1 116 ILE H 1 116 ILE HB 2.558 . 3.376 2.479 2.390 2.562 . 0 0 "[ . 1 . 2 . 3]" 1
640 1 56 LEU MD2 1 67 ASN HB3 2.636 . 3.107 2.313 2.251 2.415 . 0 0 "[ . 1 . 2 . 3]" 1
641 1 99 HIS HB3 1 100 TRP H 3.859 . 5.721 2.995 2.796 3.678 . 0 0 "[ . 1 . 2 . 3]" 1
642 1 112 ASN H 1 113 LEU H 3.284 . 4.632 3.182 3.014 3.362 . 0 0 "[ . 1 . 2 . 3]" 1
643 1 86 LEU HB3 1 86 LEU MD2 1.987 . 2.481 2.247 2.230 2.266 . 0 0 "[ . 1 . 2 . 3]" 1
644 1 69 VAL QG 1 82 ARG HA 2.018 . 2.527 2.010 1.915 2.165 . 0 0 "[ . 1 . 2 . 3]" 1
645 1 51 PHE HA 1 52 ASN H 3.285 . 4.634 3.449 3.424 3.475 . 0 0 "[ . 1 . 2 . 3]" 1
646 1 68 LEU HB3 1 68 LEU MD2 2.250 . 2.883 2.258 2.240 2.271 . 0 0 "[ . 1 . 2 . 3]" 1
647 1 47 ILE MG 1 48 LYS HA 3.054 . 4.220 3.251 3.063 3.375 . 0 0 "[ . 1 . 2 . 3]" 1
648 1 95 ASN HA 1 95 ASN HB3 2.196 . 2.799 2.658 2.457 3.026 0.227 2 0 "[ . 1 . 2 . 3]" 1
649 1 90 ASP HA 1 90 ASP HB3 2.737 . 3.674 2.761 2.424 3.025 . 0 0 "[ . 1 . 2 . 3]" 1
650 1 81 VAL HB 1 81 VAL MG1 1.969 . 2.454 2.131 2.128 2.137 . 0 0 "[ . 1 . 2 . 3]" 1
651 1 27 ASP H 1 27 ASP HB2 2.474 . 3.239 2.622 2.360 3.611 0.372 10 0 "[ . 1 . 2 . 3]" 1
652 1 108 PHE HB2 1 108 PHE QD 2.437 . 3.179 2.375 2.329 2.418 . 0 0 "[ . 1 . 2 . 3]" 1
653 1 85 VAL HA 1 88 CYS HB2 2.799 . 3.778 2.996 2.804 4.252 0.474 20 0 "[ . 1 . 2 . 3]" 1
654 1 81 VAL H 1 81 VAL MG2 2.064 . 2.597 2.071 2.008 2.155 . 0 0 "[ . 1 . 2 . 3]" 1
655 1 77 ASP HB2 1 80 GLU QB 2.659 . 3.384 2.751 2.121 4.216 0.832 23 5 "[* * 1 . - * + . 3]" 1
656 1 96 ASN H 1 96 ASN HB3 2.601 . 3.447 2.965 2.639 3.877 0.430 5 0 "[ . 1 . 2 . 3]" 1
657 1 111 ASN HB3 1 112 ASN H 4.208 . 6.421 3.938 3.783 4.114 . 0 0 "[ . 1 . 2 . 3]" 1
658 1 29 VAL H 1 29 VAL HB 2.343 . 3.029 2.565 2.542 2.630 . 0 0 "[ . 1 . 2 . 3]" 1
659 1 110 LYS H 1 110 LYS HB2 2.397 . 3.115 2.446 2.169 2.547 . 0 0 "[ . 1 . 2 . 3]" 1
660 1 35 TRP HZ3 1 113 LEU MD1 2.933 . 4.008 2.901 2.707 3.161 . 0 0 "[ . 1 . 2 . 3]" 1
661 1 82 ARG HA 1 82 ARG QG 2.354 . 3.046 2.403 2.306 2.493 . 0 0 "[ . 1 . 2 . 3]" 1
662 1 24 ILE HG13 1 24 ILE MG 2.447 . 3.195 2.379 2.364 2.394 . 0 0 "[ . 1 . 2 . 3]" 1
663 1 47 ILE MG 1 102 PHE HA 2.431 . 3.169 2.485 2.396 2.574 . 0 0 "[ . 1 . 2 . 3]" 1
664 1 78 ALA H 1 78 ALA MB 2.047 . 2.571 2.196 2.181 2.211 . 0 0 "[ . 1 . 2 . 3]" 1
665 1 35 TRP HA 1 35 TRP HB3 2.500 . 3.281 2.522 2.495 2.556 . 0 0 "[ . 1 . 2 . 3]" 1
666 1 44 MET HA 1 45 CYS H 3.442 . 4.923 3.571 3.558 3.583 . 0 0 "[ . 1 . 2 . 3]" 1
667 1 65 VAL HA 1 85 VAL QG 2.543 . 3.351 2.563 2.423 2.718 . 0 0 "[ . 1 . 2 . 3]" 1
668 1 54 MET ME 1 56 LEU MD1 2.151 . 2.729 2.125 2.027 2.403 . 0 0 "[ . 1 . 2 . 3]" 1
669 1 17 GLU HB2 1 18 CYS H 3.093 . 4.289 2.931 2.357 4.192 . 0 0 "[ . 1 . 2 . 3]" 1
670 1 63 PRO HB2 1 89 VAL MG2 2.479 . 3.045 2.444 2.294 2.891 . 0 0 "[ . 1 . 2 . 3]" 1
671 1 88 CYS H 1 88 CYS HB2 2.522 . 3.317 2.378 2.328 2.511 . 0 0 "[ . 1 . 2 . 3]" 1
672 1 49 CYS H 1 50 VAL H 3.296 . 4.489 2.841 2.797 2.913 . 0 0 "[ . 1 . 2 . 3]" 1
673 1 105 PHE HB2 1 105 PHE QD 2.486 . 3.259 2.688 2.650 2.713 . 0 0 "[ . 1 . 2 . 3]" 1
674 1 91 LYS HA 1 91 LYS HG3 2.938 . 4.017 3.347 2.374 3.862 . 0 0 "[ . 1 . 2 . 3]" 1
675 1 111 ASN H 1 111 ASN HB3 3.755 . 5.517 3.547 2.629 3.816 . 0 0 "[ . 1 . 2 . 3]" 1
676 1 42 THR HB 1 42 THR MG 2.047 . 2.571 2.129 2.124 2.134 . 0 0 "[ . 1 . 2 . 3]" 1
677 1 108 PHE HB3 1 108 PHE QD 2.450 . 3.200 2.396 2.364 2.441 . 0 0 "[ . 1 . 2 . 3]" 1
678 1 49 CYS HB3 1 50 VAL H 2.759 . 3.710 2.594 2.528 2.653 . 0 0 "[ . 1 . 2 . 3]" 1
679 1 44 MET HA 1 44 MET HB3 2.654 . 3.534 2.479 2.456 2.599 . 0 0 "[ . 1 . 2 . 3]" 1
680 1 47 ILE H 1 47 ILE MD 3.233 . 4.539 3.286 3.217 3.357 . 0 0 "[ . 1 . 2 . 3]" 1
681 1 35 TRP HB3 1 35 TRP HE3 2.811 . 3.799 2.598 2.493 2.699 . 0 0 "[ . 1 . 2 . 3]" 1
682 1 108 PHE QD 1 116 ILE MD 2.028 . 2.542 1.998 1.933 2.046 . 0 0 "[ . 1 . 2 . 3]" 1
683 1 11 LEU H 1 11 LEU HB2 2.621 . 3.480 2.576 2.505 2.642 . 0 0 "[ . 1 . 2 . 3]" 1
684 1 51 PHE HA 1 51 PHE QD 2.281 . 2.931 2.313 2.210 3.008 0.077 28 0 "[ . 1 . 2 . 3]" 1
685 1 10 ASP HA 1 13 ARG H 3.529 . 5.086 3.521 3.349 3.712 . 0 0 "[ . 1 . 2 . 3]" 1
686 1 91 LYS H 1 91 LYS HG3 2.803 . 3.785 2.619 1.879 4.599 0.814 18 1 "[ . 1 . + 2 . 3]" 1
687 1 44 MET HA 1 44 MET HG3 2.789 . 3.761 3.024 2.551 3.087 . 0 0 "[ . 1 . 2 . 3]" 1
688 1 69 VAL HA 1 70 HIS H 3.752 . 5.512 3.543 3.498 3.566 . 0 0 "[ . 1 . 2 . 3]" 1
689 1 24 ILE H 1 24 ILE HA 2.690 . 3.595 2.825 2.803 2.855 . 0 0 "[ . 1 . 2 . 3]" 1
690 1 18 CYS HB2 1 46 TYR QD 2.952 . 4.041 3.036 2.950 3.141 . 0 0 "[ . 1 . 2 . 3]" 1
691 1 107 CYS HB3 1 108 PHE H 2.738 . 3.675 2.692 2.623 2.764 . 0 0 "[ . 1 . 2 . 3]" 1
692 1 85 VAL H 1 87 LYS H 4.124 . 6.250 4.095 4.022 4.199 . 0 0 "[ . 1 . 2 . 3]" 1
693 1 105 PHE HA 2 1 ACD H172 2.557 . 3.375 2.207 2.014 2.348 . 0 0 "[ . 1 . 2 . 3]" 1
694 1 116 ILE HB 1 116 ILE MD 2.191 . 2.791 2.415 2.377 2.449 . 0 0 "[ . 1 . 2 . 3]" 1
695 1 63 PRO HD3 1 100 TRP HE1 4.048 . 6.096 3.444 3.280 3.625 . 0 0 "[ . 1 . 2 . 3]" 1
696 1 117 LYS HA 1 118 ALA H 3.738 . 5.485 3.523 3.475 3.553 . 0 0 "[ . 1 . 2 . 3]" 1
697 1 117 LYS H 1 117 LYS HG2 3.589 . 5.199 3.621 3.404 3.737 . 0 0 "[ . 1 . 2 . 3]" 1
698 1 95 ASN HA 1 96 ASN H 3.057 . 4.225 2.955 2.692 3.126 . 0 0 "[ . 1 . 2 . 3]" 1
699 1 7 THR H 1 10 ASP QB 2.808 . 3.793 2.633 2.502 2.876 . 0 0 "[ . 1 . 2 . 3]" 1
700 1 47 ILE MG 1 105 PHE HB3 2.589 . 3.427 2.588 2.487 2.680 . 0 0 "[ . 1 . 2 . 3]" 1
701 1 23 ASN H 1 23 ASN HA 2.441 . 3.186 2.276 2.265 2.281 . 0 0 "[ . 1 . 2 . 3]" 1
702 1 20 SER H 1 21 SER H 2.997 . 4.120 2.679 2.630 2.746 . 0 0 "[ . 1 . 2 . 3]" 1
703 1 55 GLN H 1 57 PHE H 3.967 . 5.934 4.249 4.042 4.389 . 0 0 "[ . 1 . 2 . 3]" 1
704 1 37 PHE HA 1 43 THR MG 2.459 . 3.215 2.492 2.304 2.716 . 0 0 "[ . 1 . 2 . 3]" 1
705 1 37 PHE QE 1 47 ILE MD 2.599 . 3.443 2.545 2.451 2.690 . 0 0 "[ . 1 . 2 . 3]" 1
706 1 84 GLU HA 1 85 VAL H 3.890 . 5.782 3.554 3.521 3.567 . 0 0 "[ . 1 . 2 . 3]" 1
707 1 47 ILE MD 2 1 ACD H21 2.801 . 3.558 2.570 2.092 2.976 . 0 0 "[ . 1 . 2 . 3]" 1
708 1 104 GLY H 1 104 GLY HA3 2.440 . 3.184 2.300 2.293 2.308 . 0 0 "[ . 1 . 2 . 3]" 1
709 1 3 PHE HA 1 3 PHE HB2 2.426 . 2.873 2.438 2.420 2.476 . 0 0 "[ . 1 . 2 . 3]" 1
710 1 53 LYS HB3 1 54 MET H 3.732 . 5.473 3.691 3.505 3.827 . 0 0 "[ . 1 . 2 . 3]" 1
711 1 19 VAL MG2 1 20 SER H 3.973 . 5.946 3.971 3.933 4.002 . 0 0 "[ . 1 . 2 . 3]" 1
712 1 66 ASP H 1 66 ASP HB2 2.808 . 3.182 2.509 2.314 2.577 . 0 0 "[ . 1 . 2 . 3]" 1
713 1 55 GLN HA 1 55 GLN HB3 2.573 . 3.401 2.615 2.485 2.704 . 0 0 "[ . 1 . 2 . 3]" 1
714 1 122 LYS H 1 122 LYS HB2 3.468 . 4.972 3.106 2.038 3.708 . 0 0 "[ . 1 . 2 . 3]" 1
715 1 35 TRP HZ2 1 120 ILE MD 2.579 . 3.410 2.420 2.054 2.626 . 0 0 "[ . 1 . 2 . 3]" 1
716 1 55 GLN H 1 56 LEU H 3.233 . 4.419 2.825 2.720 2.921 . 0 0 "[ . 1 . 2 . 3]" 1
717 1 61 GLU HA 1 61 GLU HG2 2.501 . 3.283 2.682 2.604 2.750 . 0 0 "[ . 1 . 2 . 3]" 1
718 1 44 MET ME 1 102 PHE QE 2.527 . 3.325 2.685 2.633 2.821 . 0 0 "[ . 1 . 2 . 3]" 1
719 1 64 LEU HB3 1 65 VAL H 4.040 . 6.080 3.910 3.776 4.018 . 0 0 "[ . 1 . 2 . 3]" 1
720 1 106 LYS H 1 106 LYS HB2 3.133 . 4.360 2.839 2.179 2.924 . 0 0 "[ . 1 . 2 . 3]" 1
721 1 66 ASP HA 1 66 ASP QB 2.046 . 2.569 2.348 2.313 2.448 . 0 0 "[ . 1 . 2 . 3]" 1
722 1 31 LYS HB2 1 31 LYS HD2 2.542 . 3.350 2.572 2.382 3.086 . 0 0 "[ . 1 . 2 . 3]" 1
723 1 72 LEU HA 1 72 LEU MD2 2.142 . 2.716 2.067 2.033 2.121 . 0 0 "[ . 1 . 2 . 3]" 1
724 1 64 LEU MD1 1 64 LEU HG 2.140 . 2.712 2.124 2.105 2.128 . 0 0 "[ . 1 . 2 . 3]" 1
725 1 113 LEU HB2 1 114 SER H 4.088 . 6.177 4.088 4.024 4.133 . 0 0 "[ . 1 . 2 . 3]" 1
726 1 46 TYR QD 1 47 ILE MD 2.491 . 3.267 2.585 2.484 2.670 . 0 0 "[ . 1 . 2 . 3]" 1
727 1 41 ASP HA 1 44 MET HB2 2.521 . 3.315 2.406 2.212 2.559 . 0 0 "[ . 1 . 2 . 3]" 1
728 1 18 CYS HB3 1 22 LEU MD1 2.674 . 3.568 2.553 2.482 2.629 . 0 0 "[ . 1 . 2 . 3]" 1
729 1 108 PHE HB2 2 1 ACD H191 2.777 . 3.741 2.949 2.778 3.059 . 0 0 "[ . 1 . 2 . 3]" 1
730 1 8 THR H 1 8 THR HA 2.522 . 3.317 2.772 2.736 2.797 . 0 0 "[ . 1 . 2 . 3]" 1
731 1 42 THR H 1 42 THR HB 2.407 . 3.131 2.665 2.511 2.985 . 0 0 "[ . 1 . 2 . 3]" 1
732 1 92 ASN HB2 1 93 THR H 4.349 . 6.713 4.604 4.247 4.647 . 0 0 "[ . 1 . 2 . 3]" 1
733 1 54 MET H 1 54 MET HG3 2.804 . 3.787 2.756 2.576 3.569 . 0 0 "[ . 1 . 2 . 3]" 1
734 1 24 ILE HB 1 24 ILE HG13 2.418 . 3.149 2.446 2.437 2.461 . 0 0 "[ . 1 . 2 . 3]" 1
735 1 95 ASN HB3 1 95 ASN HD21 2.784 . 3.753 2.815 2.193 3.530 . 0 0 "[ . 1 . 2 . 3]" 1
736 1 92 ASN HA 1 92 ASN HB2 2.500 . 3.281 2.513 2.480 2.633 . 0 0 "[ . 1 . 2 . 3]" 1
737 1 8 THR HA 1 11 LEU HB3 2.432 . 3.172 2.539 2.362 2.705 . 0 0 "[ . 1 . 2 . 3]" 1
738 1 24 ILE HA 1 24 ILE MD 2.218 . 2.833 2.149 2.115 2.180 . 0 0 "[ . 1 . 2 . 3]" 1
739 1 63 PRO HD2 1 63 PRO HG2 2.552 . 3.366 2.304 2.265 2.323 . 0 0 "[ . 1 . 2 . 3]" 1
740 1 86 LEU H 1 86 LEU HB2 2.403 . 3.125 2.406 2.338 2.428 . 0 0 "[ . 1 . 2 . 3]" 1
741 1 117 LYS HA 1 117 LYS HG2 2.598 . 3.066 2.510 2.467 2.582 . 0 0 "[ . 1 . 2 . 3]" 1
742 1 109 GLN HA 1 113 LEU H 3.820 . 5.644 3.759 3.551 3.906 . 0 0 "[ . 1 . 2 . 3]" 1
743 1 18 CYS HB3 1 50 VAL QG 3.043 . 4.200 3.032 2.954 3.102 . 0 0 "[ . 1 . 2 . 3]" 1
744 1 108 PHE HA 1 108 PHE HB2 2.726 . 3.123 2.538 2.512 2.565 . 0 0 "[ . 1 . 2 . 3]" 1
745 1 73 ALA H 1 73 ALA MB 2.316 . 2.503 2.237 2.220 2.258 . 0 0 "[ . 1 . 2 . 3]" 1
746 1 85 VAL HA 1 87 LYS H 4.107 . 6.215 4.178 4.091 4.267 . 0 0 "[ . 1 . 2 . 3]" 1
747 1 32 PHE HA 1 32 PHE HB3 2.660 . 3.131 2.427 2.408 2.467 . 0 0 "[ . 1 . 2 . 3]" 1
748 1 6 SER QB 1 7 THR H 3.817 . 5.638 3.626 3.264 3.748 . 0 0 "[ . 1 . 2 . 3]" 1
749 1 65 VAL QG 1 82 ARG HA 2.919 . 3.984 3.116 2.886 3.295 . 0 0 "[ . 1 . 2 . 3]" 1
750 1 88 CYS HA 1 88 CYS HB3 2.347 . 3.036 2.615 2.594 2.635 . 0 0 "[ . 1 . 2 . 3]" 1
751 1 24 ILE HA 1 24 ILE HB 2.914 . 3.976 3.018 3.013 3.022 . 0 0 "[ . 1 . 2 . 3]" 1
752 1 104 GLY HA2 1 107 CYS H 3.994 . 5.988 3.836 3.724 3.929 . 0 0 "[ . 1 . 2 . 3]" 1
753 1 105 PHE H 1 105 PHE HB3 3.092 . 3.670 2.329 2.291 2.358 . 0 0 "[ . 1 . 2 . 3]" 1
754 1 100 TRP H 1 100 TRP HB2 2.677 . 3.573 2.477 2.361 2.529 . 0 0 "[ . 1 . 2 . 3]" 1
755 1 46 TYR HB2 1 47 ILE H 3.693 . 5.398 3.904 3.857 3.994 . 0 0 "[ . 1 . 2 . 3]" 1
756 1 28 TYR H 1 28 TYR HA 2.505 . 3.290 2.787 2.770 2.813 . 0 0 "[ . 1 . 2 . 3]" 1
757 1 17 GLU HB3 1 17 GLU HG3 2.252 . 2.886 2.772 2.419 3.014 0.128 8 0 "[ . 1 . 2 . 3]" 1
758 1 71 GLN HE21 1 71 GLN HG3 3.087 . 4.278 2.408 2.158 3.491 . 0 0 "[ . 1 . 2 . 3]" 1
759 1 122 LYS HA 1 123 ASP H 2.015 . 2.522 2.203 2.075 3.073 0.551 5 1 "[ + 1 . 2 . 3]" 1
760 1 2 GLU HB3 1 2 GLU QG 2.108 . 2.663 2.318 2.161 2.395 . 0 0 "[ . 1 . 2 . 3]" 1
761 1 47 ILE MG 1 48 LYS H 3.546 . 5.118 3.341 3.261 3.437 . 0 0 "[ . 1 . 2 . 3]" 1
762 1 64 LEU HA 1 64 LEU MD2 1.982 . 2.376 2.256 2.017 3.340 0.964 13 5 "[ . * - *+ . 2 . *3]" 1
763 1 106 LYS QE 1 106 LYS HG2 2.564 . 3.386 2.572 2.281 2.989 . 0 0 "[ . 1 . 2 . 3]" 1
764 1 25 PRO HD2 1 42 THR MG 2.868 . 3.423 2.459 2.288 2.613 . 0 0 "[ . 1 . 2 . 3]" 1
765 1 25 PRO HB3 1 25 PRO HG3 2.072 . 2.609 2.282 2.270 2.293 . 0 0 "[ . 1 . 2 . 3]" 1
766 1 42 THR MG 1 43 THR H 2.900 . 3.952 3.298 3.073 3.672 . 0 0 "[ . 1 . 2 . 3]" 1
767 1 122 LYS HA 1 122 LYS HB2 2.222 . 2.839 2.743 2.268 2.946 0.107 26 0 "[ . 1 . 2 . 3]" 1
768 1 107 CYS HA 1 107 CYS HB2 2.534 . 3.040 2.358 2.333 2.367 . 0 0 "[ . 1 . 2 . 3]" 1
769 1 24 ILE H 1 24 ILE MD 2.714 . 3.635 3.057 3.014 3.113 . 0 0 "[ . 1 . 2 . 3]" 1
770 1 64 LEU HA 1 64 LEU HB3 2.469 . 3.231 2.408 2.386 2.443 . 0 0 "[ . 1 . 2 . 3]" 1
771 1 26 ALA HA 1 29 VAL HB 2.490 . 3.265 2.549 2.279 2.707 . 0 0 "[ . 1 . 2 . 3]" 1
772 1 29 VAL HB 1 30 GLU H 2.577 . 3.407 2.565 2.473 2.645 . 0 0 "[ . 1 . 2 . 3]" 1
773 1 19 VAL HA 1 19 VAL HB 2.872 . 3.903 2.991 2.986 2.998 . 0 0 "[ . 1 . 2 . 3]" 1
774 1 14 TYR HB3 1 53 LYS HB3 3.044 . 4.202 3.022 2.120 3.412 . 0 0 "[ . 1 . 2 . 3]" 1
775 1 110 LYS QE 1 110 LYS HG2 2.463 . 3.221 2.696 2.356 3.510 0.289 14 0 "[ . 1 . 2 . 3]" 1
776 1 105 PHE QD 1 106 LYS H 4.122 . 6.246 3.764 3.669 3.848 . 0 0 "[ . 1 . 2 . 3]" 1
777 1 87 LYS HA 1 87 LYS HG2 2.531 . 3.332 2.582 2.462 3.754 0.422 10 0 "[ . 1 . 2 . 3]" 1
778 1 57 PHE HB3 1 58 ASP H 4.150 . 6.302 4.109 4.023 4.235 . 0 0 "[ . 1 . 2 . 3]" 1
779 1 77 ASP HB3 1 78 ALA H 4.005 . 6.010 3.775 3.558 4.276 . 0 0 "[ . 1 . 2 . 3]" 1
780 1 72 LEU HA 1 72 LEU HG 2.696 . 3.605 2.945 2.908 2.981 . 0 0 "[ . 1 . 2 . 3]" 1
781 1 112 ASN HB2 1 112 ASN HD22 3.475 . 4.984 3.453 3.440 3.470 . 0 0 "[ . 1 . 2 . 3]" 1
782 1 72 LEU HB3 1 72 LEU MD2 2.393 . 2.850 2.314 2.300 2.329 . 0 0 "[ . 1 . 2 . 3]" 1
783 1 70 HIS H 1 70 HIS HD2 2.813 . 3.802 3.503 2.492 5.202 1.400 22 10 "[ . 1****.-** 2 + . * *]" 1
784 1 89 VAL H 1 89 VAL HB 2.288 . 2.942 2.480 2.420 2.590 . 0 0 "[ . 1 . 2 . 3]" 1
785 1 72 LEU MD1 1 108 PHE HZ 2.252 . 2.886 2.449 2.372 2.542 . 0 0 "[ . 1 . 2 . 3]" 1
786 1 116 ILE HA 1 116 ILE HG12 2.588 . 3.425 2.484 2.457 2.537 . 0 0 "[ . 1 . 2 . 3]" 1
787 1 102 PHE HA 1 102 PHE HB2 2.265 . 2.906 2.441 2.418 2.469 . 0 0 "[ . 1 . 2 . 3]" 1
788 1 82 ARG HA 1 82 ARG HB2 2.305 . 2.969 2.501 2.472 2.540 . 0 0 "[ . 1 . 2 . 3]" 1
789 1 96 ASN HB2 1 96 ASN HD22 2.831 . 3.833 3.661 3.446 4.053 0.220 1 0 "[ . 1 . 2 . 3]" 1
790 1 44 MET H 1 44 MET HG2 3.553 . 5.131 3.432 3.355 3.836 . 0 0 "[ . 1 . 2 . 3]" 1
791 1 100 TRP HB2 1 101 ALA H 3.464 . 4.964 3.674 3.624 3.733 . 0 0 "[ . 1 . 2 . 3]" 1
792 1 105 PHE HA 1 105 PHE QD 2.193 . 2.794 2.314 2.271 2.363 . 0 0 "[ . 1 . 2 . 3]" 1
793 1 118 ALA MB 1 119 SER H 2.371 . 3.073 2.717 2.523 2.972 . 0 0 "[ . 1 . 2 . 3]" 1
794 1 39 GLU H 1 39 GLU HA 2.599 . 3.443 2.869 2.833 2.896 . 0 0 "[ . 1 . 2 . 3]" 1
795 1 14 TYR HB2 1 14 TYR QD 2.495 . 3.273 2.313 2.289 2.398 . 0 0 "[ . 1 . 2 . 3]" 1
796 1 17 GLU H 1 17 GLU HB2 2.900 . 3.951 2.737 2.110 3.152 . 0 0 "[ . 1 . 2 . 3]" 1
797 1 44 MET HA 1 44 MET HG2 2.538 . 3.343 2.576 2.492 3.690 0.347 5 0 "[ . 1 . 2 . 3]" 1
798 1 51 PHE HA 1 54 MET HB2 2.914 . 3.976 2.727 2.504 3.017 . 0 0 "[ . 1 . 2 . 3]" 1
799 1 38 PRO HB3 1 39 GLU H 2.925 . 3.995 3.224 3.039 3.685 . 0 0 "[ . 1 . 2 . 3]" 1
800 1 28 TYR HB3 1 32 PHE QE 2.555 . 3.371 2.668 2.516 2.846 . 0 0 "[ . 1 . 2 . 3]" 1
801 1 98 CYS H 1 98 CYS HB2 2.632 . 3.498 2.585 2.558 2.644 . 0 0 "[ . 1 . 2 . 3]" 1
802 1 72 LEU MD2 1 116 ILE HA 2.207 . 2.816 2.366 2.271 2.502 . 0 0 "[ . 1 . 2 . 3]" 1
803 1 56 LEU HB3 1 56 LEU HG 2.861 . 3.884 3.020 3.017 3.022 . 0 0 "[ . 1 . 2 . 3]" 1
804 1 22 LEU HB3 1 22 LEU MD2 2.144 . 2.719 2.303 2.275 2.335 . 0 0 "[ . 1 . 2 . 3]" 1
805 1 39 GLU H 1 39 GLU HB2 2.534 . 3.336 2.569 2.447 2.647 . 0 0 "[ . 1 . 2 . 3]" 1
806 1 78 ALA HA 1 82 ARG H 4.045 . 6.090 3.789 3.615 3.910 . 0 0 "[ . 1 . 2 . 3]" 1
807 1 67 ASN H 1 67 ASN HB3 3.370 . 4.790 3.587 3.573 3.611 . 0 0 "[ . 1 . 2 . 3]" 1
808 1 43 THR H 1 43 THR HB 2.593 . 3.433 2.612 2.537 2.668 . 0 0 "[ . 1 . 2 . 3]" 1
809 1 69 VAL HB 1 70 HIS H 2.557 . 3.374 2.654 2.513 4.303 0.929 1 1 "[+ . 1 . 2 . 3]" 1
810 1 102 PHE H 1 102 PHE HA 2.517 . 3.309 2.811 2.801 2.833 . 0 0 "[ . 1 . 2 . 3]" 1
811 1 78 ALA HA 1 78 ALA MB 1.901 . 2.350 2.121 2.117 2.126 . 0 0 "[ . 1 . 2 . 3]" 1
812 1 72 LEU H 1 72 LEU MD2 3.459 . 4.955 3.519 3.468 3.564 . 0 0 "[ . 1 . 2 . 3]" 1
813 1 67 ASN HA 1 67 ASN HD21 4.676 . 7.409 4.150 3.967 4.465 . 0 0 "[ . 1 . 2 . 3]" 1
814 1 96 ASN H 1 96 ASN HB2 3.572 . 5.167 3.403 3.249 3.522 . 0 0 "[ . 1 . 2 . 3]" 1
815 1 67 ASN HA 1 70 HIS H 3.610 . 5.239 3.366 3.246 3.556 . 0 0 "[ . 1 . 2 . 3]" 1
816 1 78 ALA HA 1 81 VAL H 3.700 . 5.412 3.496 3.372 3.774 . 0 0 "[ . 1 . 2 . 3]" 1
817 1 9 GLU H 1 9 GLU HA 2.463 . 3.221 2.793 2.755 2.817 . 0 0 "[ . 1 . 2 . 3]" 1
818 1 90 ASP HB3 1 91 LYS H 3.224 . 4.523 2.841 1.912 3.703 0.013 20 0 "[ . 1 . 2 . 3]" 1
819 1 56 LEU MD1 1 56 LEU HG 2.205 . 2.813 2.128 2.124 2.130 . 0 0 "[ . 1 . 2 . 3]" 1
820 1 103 ARG H 1 103 ARG HB3 2.633 . 3.499 2.670 2.390 3.624 0.125 16 0 "[ . 1 . 2 . 3]" 1
821 1 31 LYS H 1 31 LYS HA 2.622 . 3.482 2.828 2.807 2.844 . 0 0 "[ . 1 . 2 . 3]" 1
822 1 3 PHE H 1 3 PHE HB2 2.576 . 3.405 2.710 2.576 3.042 . 0 0 "[ . 1 . 2 . 3]" 1
823 1 5 VAL HB 1 5 VAL QG 1.937 . 2.347 1.885 1.882 1.887 . 0 0 "[ . 1 . 2 . 3]" 1
824 1 47 ILE MG 1 101 ALA MB 2.481 . 3.250 2.673 2.504 2.797 . 0 0 "[ . 1 . 2 . 3]" 1
825 1 85 VAL HA 1 88 CYS H 3.978 . 5.956 3.658 3.565 3.953 . 0 0 "[ . 1 . 2 . 3]" 1
826 1 31 LYS HA 1 32 PHE H 3.764 . 5.535 3.544 3.488 3.566 . 0 0 "[ . 1 . 2 . 3]" 1
827 1 69 VAL HA 1 72 LEU H 3.721 . 5.451 3.665 3.485 3.796 . 0 0 "[ . 1 . 2 . 3]" 1
828 1 41 ASP H 1 41 ASP HB3 2.894 . 3.941 3.022 2.489 3.627 . 0 0 "[ . 1 . 2 . 3]" 1
829 1 73 ALA H 1 74 HIS H 3.474 . 4.983 3.166 3.012 3.253 . 0 0 "[ . 1 . 2 . 3]" 1
830 1 43 THR H 1 43 THR HA 2.713 . 3.633 2.786 2.765 2.804 . 0 0 "[ . 1 . 2 . 3]" 1
831 1 48 LYS H 1 50 VAL H 4.153 . 6.309 4.229 4.143 4.378 . 0 0 "[ . 1 . 2 . 3]" 1
832 1 73 ALA HA 1 76 ARG HB2 2.686 . 3.588 2.670 2.057 2.966 . 0 0 "[ . 1 . 2 . 3]" 1
833 1 59 ASP QB 1 60 THR H 2.901 . 3.953 3.268 2.934 3.798 . 0 0 "[ . 1 . 2 . 3]" 1
834 1 95 ASN HB2 1 95 ASN HD22 3.529 . 4.471 3.666 3.463 4.079 . 0 0 "[ . 1 . 2 . 3]" 1
835 1 72 LEU H 1 72 LEU HB3 3.445 . 4.929 3.582 3.569 3.589 . 0 0 "[ . 1 . 2 . 3]" 1
836 1 38 PRO HD2 1 38 PRO HG2 2.741 . 3.680 2.348 2.331 2.358 . 0 0 "[ . 1 . 2 . 3]" 1
837 1 78 ALA HA 1 81 VAL HB 2.519 . 2.828 2.436 2.298 2.797 . 0 0 "[ . 1 . 2 . 3]" 1
838 1 90 ASP HA 1 90 ASP HB2 2.661 . 3.546 2.729 2.347 3.027 . 0 0 "[ . 1 . 2 . 3]" 1
839 1 28 TYR H 1 28 TYR QD 2.045 . 2.568 2.239 2.067 2.729 0.161 21 0 "[ . 1 . 2 . 3]" 1
840 1 66 ASP H 1 66 ASP HB3 2.335 . 3.017 2.712 2.465 3.599 0.582 21 5 "[ . 1 * .* - 2+ . * 3]" 1
841 1 118 ALA HA 1 121 LYS HB3 2.770 . 3.729 2.445 2.044 3.215 . 0 0 "[ . 1 . 2 . 3]" 1
842 1 72 LEU HA 1 73 ALA H 3.743 . 5.494 3.555 3.540 3.575 . 0 0 "[ . 1 . 2 . 3]" 1
843 1 83 THR HA 1 86 LEU MD1 2.240 . 2.867 2.330 2.207 2.458 . 0 0 "[ . 1 . 2 . 3]" 1
844 1 40 ASP H 1 40 ASP HB2 3.928 . 5.856 3.589 3.224 4.026 . 0 0 "[ . 1 . 2 . 3]" 1
845 1 96 ASN HB3 1 99 HIS HB3 3.244 . 4.559 3.402 2.357 4.881 0.322 16 0 "[ . 1 . 2 . 3]" 1
846 1 92 ASN H 1 100 TRP HE1 4.536 . 7.108 4.396 4.029 4.656 . 0 0 "[ . 1 . 2 . 3]" 1
847 1 19 VAL H 1 19 VAL MG1 3.420 . 4.882 3.673 3.659 3.692 . 0 0 "[ . 1 . 2 . 3]" 1
848 1 24 ILE H 1 24 ILE HB 2.848 . 3.252 2.623 2.584 2.647 . 0 0 "[ . 1 . 2 . 3]" 1
849 1 48 LYS HA 1 48 LYS HB2 2.972 . 4.076 2.554 2.470 2.769 . 0 0 "[ . 1 . 2 . 3]" 1
850 1 98 CYS HA 1 98 CYS HB2 2.717 . 3.640 3.026 3.022 3.031 . 0 0 "[ . 1 . 2 . 3]" 1
851 1 56 LEU MD2 1 71 GLN HB2 2.875 . 3.908 2.740 2.534 3.108 . 0 0 "[ . 1 . 2 . 3]" 1
852 1 83 THR MG 1 84 GLU H 2.609 . 3.460 2.935 2.784 3.628 0.168 25 0 "[ . 1 . 2 . 3]" 1
853 1 15 ARG H 1 17 GLU H 4.208 . 6.422 4.280 4.119 4.462 . 0 0 "[ . 1 . 2 . 3]" 1
854 1 105 PHE HA 1 105 PHE HB3 2.554 . 3.369 3.005 3.001 3.008 . 0 0 "[ . 1 . 2 . 3]" 1
855 1 54 MET HB3 1 54 MET HG3 3.000 . 4.125 2.975 2.618 3.006 . 0 0 "[ . 1 . 2 . 3]" 1
856 1 69 VAL H 1 69 VAL QG 2.045 . 2.568 2.058 1.840 2.099 . 0 0 "[ . 1 . 2 . 3]" 1
857 1 55 GLN H 1 55 GLN HA 2.025 . 2.538 2.239 2.230 2.252 . 0 0 "[ . 1 . 2 . 3]" 1
858 1 72 LEU MD2 2 1 ACD H11 2.537 . 3.026 2.528 2.467 2.612 . 0 0 "[ . 1 . 2 . 3]" 1
859 1 28 TYR HB3 1 29 VAL H 3.734 . 5.476 3.503 3.389 3.594 . 0 0 "[ . 1 . 2 . 3]" 1
860 1 37 PHE H 1 37 PHE QD 2.164 . 2.749 2.451 2.315 2.741 . 0 0 "[ . 1 . 2 . 3]" 1
861 1 40 ASP H 1 44 MET ME 2.436 . 3.178 2.636 2.537 2.772 . 0 0 "[ . 1 . 2 . 3]" 1
862 1 116 ILE HB 1 116 ILE MG 2.139 . 2.711 2.129 2.126 2.132 . 0 0 "[ . 1 . 2 . 3]" 1
863 1 83 THR HB 1 84 GLU H 2.347 . 3.035 2.432 2.350 2.549 . 0 0 "[ . 1 . 2 . 3]" 1
864 1 62 GLY HA3 1 63 PRO HD2 2.544 . 3.353 2.291 2.002 2.470 . 0 0 "[ . 1 . 2 . 3]" 1
865 1 50 VAL MG1 1 50 VAL MG2 1.930 . 2.359 2.067 2.055 2.085 . 0 0 "[ . 1 . 2 . 3]" 1
866 1 47 ILE MG 1 105 PHE H 4.237 . 6.481 3.971 3.846 4.109 . 0 0 "[ . 1 . 2 . 3]" 1
867 1 39 GLU HA 1 39 GLU HG3 2.471 . 3.234 2.519 2.390 3.073 . 0 0 "[ . 1 . 2 . 3]" 1
868 1 12 GLN HB2 1 12 GLN QG 2.298 . 2.958 2.291 2.164 2.366 . 0 0 "[ . 1 . 2 . 3]" 1
869 1 38 PRO HA 1 38 PRO HB3 2.067 . 2.601 2.280 2.268 2.297 . 0 0 "[ . 1 . 2 . 3]" 1
870 1 57 PHE HB2 1 58 ASP H 4.045 . 6.090 4.061 3.984 4.195 . 0 0 "[ . 1 . 2 . 3]" 1
871 1 113 LEU MD2 1 113 LEU HG 2.266 . 2.908 2.129 2.126 2.132 . 0 0 "[ . 1 . 2 . 3]" 1
872 1 87 LYS QD 1 87 LYS HG3 2.279 . 2.928 2.293 2.174 2.371 . 0 0 "[ . 1 . 2 . 3]" 1
873 1 26 ALA HA 1 29 VAL H 3.554 . 5.133 3.201 3.062 3.280 . 0 0 "[ . 1 . 2 . 3]" 1
874 1 62 GLY HA2 1 63 PRO HD2 2.455 . 3.209 3.577 3.350 3.696 0.487 18 0 "[ . 1 . 2 . 3]" 1
875 1 85 VAL QG 1 86 LEU HA 2.779 . 3.744 2.964 2.801 3.004 . 0 0 "[ . 1 . 2 . 3]" 1
876 1 38 PRO HB2 1 38 PRO HD2 2.691 . 3.596 2.920 2.865 4.057 0.461 1 0 "[ . 1 . 2 . 3]" 1
877 1 111 ASN HB3 1 111 ASN HD22 3.581 . 5.184 3.797 3.468 4.060 . 0 0 "[ . 1 . 2 . 3]" 1
878 1 116 ILE MD 1 116 ILE HG12 2.034 . 2.551 2.112 2.107 2.117 . 0 0 "[ . 1 . 2 . 3]" 1
879 1 55 GLN HA 1 55 GLN HG3 2.445 . 3.192 2.890 2.389 3.641 0.449 5 0 "[ . 1 . 2 . 3]" 1
880 1 53 LYS HA 1 53 LYS HB2 2.888 . 3.930 2.995 2.976 3.013 . 0 0 "[ . 1 . 2 . 3]" 1
881 1 39 GLU HA 1 40 ASP H 2.096 . 2.645 2.249 2.167 2.333 . 0 0 "[ . 1 . 2 . 3]" 1
882 1 27 ASP H 1 27 ASP HB3 2.507 . 3.293 2.799 2.401 3.613 0.320 11 0 "[ . 1 . 2 . 3]" 1
883 1 16 THR HA 1 19 VAL HB 2.232 . 2.855 2.483 2.230 2.937 0.082 24 0 "[ . 1 . 2 . 3]" 1
884 1 24 ILE MG 1 42 THR MG 2.368 . 3.069 2.458 2.311 2.579 . 0 0 "[ . 1 . 2 . 3]" 1
885 1 15 ARG H 1 15 ARG HB2 3.313 . 4.685 2.960 2.142 3.202 . 0 0 "[ . 1 . 2 . 3]" 1
886 1 61 GLU HA 1 62 GLY H 3.474 . 4.983 3.397 3.323 3.459 . 0 0 "[ . 1 . 2 . 3]" 1
887 1 106 LYS HA 1 109 GLN HG3 2.533 . 3.205 2.512 2.173 3.721 0.516 2 1 "[ + . 1 . 2 . 3]" 1
888 1 47 ILE MD 1 105 PHE QE 2.400 . 3.120 2.513 2.469 2.557 . 0 0 "[ . 1 . 2 . 3]" 1
889 1 123 ASP H 1 123 ASP HB3 2.572 . 3.399 2.777 2.425 3.671 0.272 28 0 "[ . 1 . 2 . 3]" 1
890 1 29 VAL HA 1 30 GLU H 3.731 . 5.471 3.559 3.534 3.574 . 0 0 "[ . 1 . 2 . 3]" 1
891 1 101 ALA H 1 101 ALA MB 2.012 . 2.518 2.225 2.218 2.232 . 0 0 "[ . 1 . 2 . 3]" 1
892 1 38 PRO HD3 1 38 PRO HG3 2.657 . 3.540 2.329 2.322 2.336 . 0 0 "[ . 1 . 2 . 3]" 1
893 1 28 TYR HA 1 28 TYR HB3 2.730 . 3.661 2.612 2.587 2.644 . 0 0 "[ . 1 . 2 . 3]" 1
894 1 14 TYR QD 1 54 MET HG2 2.497 . 3.276 2.491 2.296 2.640 . 0 0 "[ . 1 . 2 . 3]" 1
895 1 102 PHE HA 1 102 PHE QD 2.484 . 3.255 2.579 2.480 2.660 . 0 0 "[ . 1 . 2 . 3]" 1
896 1 74 HIS HA 1 74 HIS HB3 2.565 . 3.387 2.982 2.495 3.039 . 0 0 "[ . 1 . 2 . 3]" 1
897 1 108 PHE HZ 1 115 LEU MD2 2.151 . 2.729 2.088 2.025 2.154 . 0 0 "[ . 1 . 2 . 3]" 1
898 1 46 TYR HA 1 49 CYS HB3 2.926 . 3.996 3.033 2.939 3.154 . 0 0 "[ . 1 . 2 . 3]" 1
899 1 101 ALA HA 1 104 GLY H 3.317 . 4.693 3.538 3.455 3.596 . 0 0 "[ . 1 . 2 . 3]" 1
900 1 117 LYS HB2 1 117 LYS HG2 2.803 . 3.785 3.011 3.007 3.014 . 0 0 "[ . 1 . 2 . 3]" 1
901 1 84 GLU H 1 84 GLU HA 2.598 . 3.442 2.785 2.766 2.813 . 0 0 "[ . 1 . 2 . 3]" 1
902 1 103 ARG HA 1 103 ARG HB3 2.737 . 3.674 2.967 2.502 3.024 . 0 0 "[ . 1 . 2 . 3]" 1
903 1 13 ARG HA 1 16 THR H 3.868 . 5.738 3.771 3.609 4.134 . 0 0 "[ . 1 . 2 . 3]" 1
904 1 3 PHE QE 1 5 VAL QG 2.207 . 2.816 2.236 2.108 3.093 0.277 18 0 "[ . 1 . 2 . 3]" 1
905 1 96 ASN HB3 1 99 HIS HB2 3.236 . 4.545 3.450 2.251 4.727 0.182 13 0 "[ . 1 . 2 . 3]" 1
906 1 11 LEU HA 1 14 TYR QD 2.454 . 3.207 2.330 2.152 2.644 . 0 0 "[ . 1 . 2 . 3]" 1
907 1 50 VAL HB 1 51 PHE H 2.687 . 3.590 2.634 2.435 4.294 0.704 28 2 "[ . 1 . - 2 . + 3]" 1
908 1 115 LEU HA 1 115 LEU MD1 2.074 . 2.589 2.082 2.036 2.129 . 0 0 "[ . 1 . 2 . 3]" 1
909 1 120 ILE HB 1 120 ILE HG13 2.357 . 3.051 2.523 2.504 2.545 . 0 0 "[ . 1 . 2 . 3]" 1
910 1 30 GLU H 1 32 PHE H 4.409 . 6.839 4.306 4.115 4.423 . 0 0 "[ . 1 . 2 . 3]" 1
911 1 104 GLY HA2 1 107 CYS HB3 2.870 . 3.899 2.955 2.842 3.140 . 0 0 "[ . 1 . 2 . 3]" 1
912 1 40 ASP HB2 1 41 ASP H 2.982 . 4.093 3.560 2.315 4.110 0.017 22 0 "[ . 1 . 2 . 3]" 1
913 1 34 LYS H 1 35 TRP H 3.204 . 4.358 2.602 2.288 2.798 . 0 0 "[ . 1 . 2 . 3]" 1
914 1 56 LEU MD2 1 56 LEU HG 2.190 . 2.789 2.124 2.118 2.127 . 0 0 "[ . 1 . 2 . 3]" 1
915 1 83 THR H 1 83 THR HB 2.136 . 2.707 2.329 2.263 2.773 0.066 25 0 "[ . 1 . 2 . 3]" 1
916 1 82 ARG H 1 82 ARG HB2 2.569 . 3.394 2.359 2.317 2.393 . 0 0 "[ . 1 . 2 . 3]" 1
917 1 121 LYS HA 1 121 LYS QG 2.333 . 3.013 2.524 2.366 2.994 . 0 0 "[ . 1 . 2 . 3]" 1
918 1 71 GLN HB2 1 71 GLN HG3 2.743 . 3.683 2.989 2.356 3.018 . 0 0 "[ . 1 . 2 . 3]" 1
919 1 95 ASN HB3 1 95 ASN HD22 3.693 . 5.398 3.742 3.465 4.087 . 0 0 "[ . 1 . 2 . 3]" 1
920 1 108 PHE HB2 2 1 ACD H171 3.056 . 4.003 2.738 2.661 2.785 . 0 0 "[ . 1 . 2 . 3]" 1
921 1 48 LYS HA 1 48 LYS QG 2.256 . 2.892 2.535 2.277 3.282 0.390 4 0 "[ . 1 . 2 . 3]" 1
922 1 90 ASP H 1 100 TRP HE1 3.443 . 4.925 3.280 2.965 3.577 . 0 0 "[ . 1 . 2 . 3]" 1
923 1 32 PHE HA 1 32 PHE HB2 2.831 . 3.833 3.019 3.016 3.026 . 0 0 "[ . 1 . 2 . 3]" 1
924 1 105 PHE HA 1 105 PHE HB2 2.772 . 3.588 2.369 2.360 2.383 . 0 0 "[ . 1 . 2 . 3]" 1
925 1 60 THR H 1 60 THR HB 2.207 . 2.816 2.396 2.355 2.501 . 0 0 "[ . 1 . 2 . 3]" 1
926 1 53 LYS HA 1 53 LYS QG 2.677 . 3.573 2.535 2.290 2.855 . 0 0 "[ . 1 . 2 . 3]" 1
927 1 122 LYS H 1 122 LYS HB3 3.194 . 4.469 3.384 2.591 4.034 . 0 0 "[ . 1 . 2 . 3]" 1
928 1 31 LYS HB3 1 31 LYS HG2 2.657 . 3.540 2.472 2.376 2.501 . 0 0 "[ . 1 . 2 . 3]" 1
929 1 16 THR HB 1 16 THR MG 1.956 . 2.434 2.131 2.126 2.135 . 0 0 "[ . 1 . 2 . 3]" 1
930 1 55 GLN HA 1 55 GLN HB2 2.676 . 3.571 2.979 2.939 3.016 . 0 0 "[ . 1 . 2 . 3]" 1
931 1 13 ARG HA 1 14 TYR H 3.752 . 5.511 3.557 3.527 3.578 . 0 0 "[ . 1 . 2 . 3]" 1
932 1 46 TYR H 1 48 LYS H 4.222 . 6.450 4.033 3.899 4.288 . 0 0 "[ . 1 . 2 . 3]" 1
933 1 18 CYS H 1 20 SER H 4.342 . 6.699 4.343 4.238 4.456 . 0 0 "[ . 1 . 2 . 3]" 1
934 1 8 THR HA 1 120 ILE HB 2.947 . 4.033 2.801 2.635 3.047 . 0 0 "[ . 1 . 2 . 3]" 1
935 1 90 ASP H 1 90 ASP HA 2.702 . 3.614 2.921 2.852 2.944 . 0 0 "[ . 1 . 2 . 3]" 1
936 1 50 VAL H 1 50 VAL QG . . 2.719 2.154 1.892 2.262 0.067 28 0 "[ . 1 . 2 . 3]" 1
937 1 64 LEU H 1 64 LEU HB2 2.889 . 3.932 2.599 2.557 2.636 . 0 0 "[ . 1 . 2 . 3]" 1
938 1 3 PHE HB3 1 4 THR H 3.868 . 5.738 4.278 4.079 4.457 . 0 0 "[ . 1 . 2 . 3]" 1
939 1 43 THR HA 1 43 THR HB 2.840 . 3.848 3.021 3.014 3.026 . 0 0 "[ . 1 . 2 . 3]" 1
940 1 37 PHE HA 1 37 PHE QB 2.445 . 3.192 2.343 2.326 2.356 . 0 0 "[ . 1 . 2 . 3]" 1
941 1 12 GLN H 1 12 GLN HG2 2.666 . 3.554 3.192 2.082 3.693 0.139 5 0 "[ . 1 . 2 . 3]" 1
942 1 15 ARG H 1 50 VAL QG 4.274 . 6.557 3.634 3.393 4.180 . 0 0 "[ . 1 . 2 . 3]" 1
943 1 41 ASP HA 1 42 THR H 3.717 . 5.444 3.513 3.459 3.553 . 0 0 "[ . 1 . 2 . 3]" 1
944 1 2 GLU HA 1 3 PHE H 1.912 . 2.369 2.165 2.084 2.538 0.169 14 0 "[ . 1 . 2 . 3]" 1
945 1 29 VAL HB 1 29 VAL MG1 1.924 . 2.387 2.128 2.124 2.131 . 0 0 "[ . 1 . 2 . 3]" 1
946 1 26 ALA HA 1 27 ASP H 3.647 . 5.310 3.505 3.475 3.529 . 0 0 "[ . 1 . 2 . 3]" 1
947 1 11 LEU HA 1 11 LEU HB2 2.272 . 2.917 2.400 2.376 2.422 . 0 0 "[ . 1 . 2 . 3]" 1
948 1 120 ILE HB 1 120 ILE MG 2.028 . 2.542 2.125 2.122 2.128 . 0 0 "[ . 1 . 2 . 3]" 1
949 1 25 PRO HB2 1 26 ALA H 3.732 . 5.473 3.587 3.482 3.654 . 0 0 "[ . 1 . 2 . 3]" 1
950 1 18 CYS HA 1 18 CYS HB2 2.891 . 3.936 3.020 3.016 3.027 . 0 0 "[ . 1 . 2 . 3]" 1
951 1 12 GLN HA 1 12 GLN HG3 2.619 . 3.476 3.245 2.882 3.784 0.308 29 0 "[ . 1 . 2 . 3]" 1
952 1 121 LYS H 1 121 LYS HB2 2.479 . 3.247 2.631 2.409 2.745 . 0 0 "[ . 1 . 2 . 3]" 1
953 1 64 LEU HB3 1 64 LEU MD2 2.129 . 2.696 2.484 2.306 3.178 0.482 10 0 "[ . 1 . 2 . 3]" 1
954 1 40 ASP H 1 43 THR H 4.228 . 6.463 4.067 3.881 4.427 . 0 0 "[ . 1 . 2 . 3]" 1
955 1 115 LEU HB3 1 116 ILE H 2.881 . 3.919 2.698 2.548 2.800 . 0 0 "[ . 1 . 2 . 3]" 1
956 1 28 TYR HB2 1 28 TYR QD 2.544 . 3.353 2.439 2.361 2.543 . 0 0 "[ . 1 . 2 . 3]" 1
957 1 5 VAL QG 1 6 SER H 2.382 . 3.092 3.008 2.606 3.219 0.127 6 0 "[ . 1 . 2 . 3]" 1
958 1 60 THR HB 1 61 GLU H 2.234 . 2.858 2.264 2.192 2.431 . 0 0 "[ . 1 . 2 . 3]" 1
959 1 12 GLN HA 1 12 GLN HB3 2.370 . 3.072 2.513 2.447 2.569 . 0 0 "[ . 1 . 2 . 3]" 1
960 1 46 TYR HA 1 46 TYR HB2 2.356 . 3.050 2.342 2.330 2.349 . 0 0 "[ . 1 . 2 . 3]" 1
961 1 114 SER HA 1 117 LYS HB2 2.582 . 3.415 2.769 2.607 3.149 . 0 0 "[ . 1 . 2 . 3]" 1
962 1 112 ASN HA 1 113 LEU H 2.586 . 3.422 2.533 2.438 2.675 . 0 0 "[ . 1 . 2 . 3]" 1
963 1 112 ASN H 1 112 ASN HD21 3.896 . 5.794 4.078 3.195 4.294 . 0 0 "[ . 1 . 2 . 3]" 1
964 1 91 LYS H 1 91 LYS QB 2.717 . 3.640 2.568 2.138 2.653 . 0 0 "[ . 1 . 2 . 3]" 1
965 1 54 MET ME 1 54 MET HG2 2.242 . 2.870 2.545 2.329 3.394 0.524 10 4 "[ -* . + . 2 * . 3]" 1
966 1 115 LEU HA 1 115 LEU HB2 2.466 . 3.226 2.463 2.406 2.492 . 0 0 "[ . 1 . 2 . 3]" 1
967 1 29 VAL HA 1 32 PHE H 3.639 . 5.294 3.440 3.331 3.617 . 0 0 "[ . 1 . 2 . 3]" 1
968 1 47 ILE MD 1 47 ILE HG13 2.288 . 2.942 2.119 2.116 2.124 . 0 0 "[ . 1 . 2 . 3]" 1
969 1 88 CYS HB2 2 1 ACD H192 2.990 . 4.107 3.106 2.970 4.031 . 0 0 "[ . 1 . 2 . 3]" 1
970 1 78 ALA HA 1 79 GLU H 3.370 . 4.790 3.513 3.466 3.545 . 0 0 "[ . 1 . 2 . 3]" 1
971 1 118 ALA HA 1 118 ALA MB 1.856 . 2.286 2.120 2.114 2.122 . 0 0 "[ . 1 . 2 . 3]" 1
972 1 92 ASN HA 1 93 THR H 2.474 . 3.239 2.434 2.310 2.569 . 0 0 "[ . 1 . 2 . 3]" 1
973 1 72 LEU MD1 1 72 LEU HG 2.424 . 3.159 2.133 2.132 2.135 . 0 0 "[ . 1 . 2 . 3]" 1
974 1 25 PRO HB3 1 26 ALA H 3.455 . 4.947 3.299 3.200 3.383 . 0 0 "[ . 1 . 2 . 3]" 1
975 1 50 VAL QG 1 51 PHE QD 2.403 . 3.125 2.437 2.169 2.507 . 0 0 "[ . 1 . 2 . 3]" 1
976 1 105 PHE QE 1 116 ILE MD 2.488 . 3.262 2.140 1.910 2.275 . 0 0 "[ . 1 . 2 . 3]" 1
977 1 48 LYS H 1 101 ALA MB 3.759 . 5.525 3.574 3.338 3.714 . 0 0 "[ . 1 . 2 . 3]" 1
978 1 31 LYS H 1 32 PHE H 2.894 . 3.941 2.675 2.551 2.758 . 0 0 "[ . 1 . 2 . 3]" 1
979 1 83 THR HA 1 84 GLU H 3.808 . 5.621 3.570 3.556 3.597 . 0 0 "[ . 1 . 2 . 3]" 1
980 1 64 LEU H 1 64 LEU MD2 3.333 . 4.721 3.044 1.822 3.407 0.123 12 0 "[ . 1 . 2 . 3]" 1
981 1 18 CYS H 1 18 CYS HB3 3.375 . 4.799 3.603 3.582 3.618 . 0 0 "[ . 1 . 2 . 3]" 1
982 1 47 ILE HA 1 47 ILE HB 2.758 . 3.709 3.010 3.003 3.014 . 0 0 "[ . 1 . 2 . 3]" 1
983 1 65 VAL HA 1 68 LEU HB2 2.334 . 3.015 2.176 2.064 2.289 . 0 0 "[ . 1 . 2 . 3]" 1
984 1 46 TYR HA 1 49 CYS H 3.792 . 5.589 3.695 3.596 3.866 . 0 0 "[ . 1 . 2 . 3]" 1
985 1 105 PHE QE 1 116 ILE MG 2.649 . 3.526 2.626 2.494 2.756 . 0 0 "[ . 1 . 2 . 3]" 1
986 1 42 THR HA 1 42 THR MG 2.171 . 2.610 2.295 2.169 2.411 . 0 0 "[ . 1 . 2 . 3]" 1
987 1 32 PHE HB2 1 33 LYS H 3.551 . 5.128 2.835 2.570 3.278 . 0 0 "[ . 1 . 2 . 3]" 1
988 1 57 PHE HB2 1 57 PHE QD 2.406 . 3.130 2.427 2.401 2.461 . 0 0 "[ . 1 . 2 . 3]" 1
989 1 25 PRO HD3 1 25 PRO HG3 2.379 . 3.086 2.303 2.295 2.308 . 0 0 "[ . 1 . 2 . 3]" 1
990 1 64 LEU H 1 68 LEU MD1 2.800 . 3.780 2.964 2.887 3.115 . 0 0 "[ . 1 . 2 . 3]" 1
991 1 17 GLU HA 1 17 GLU HB3 2.626 . 3.488 2.497 2.308 2.936 . 0 0 "[ . 1 . 2 . 3]" 1
992 1 105 PHE H 1 105 PHE HA 2.608 . 3.458 2.809 2.800 2.821 . 0 0 "[ . 1 . 2 . 3]" 1
993 1 12 GLN QB 1 12 GLN HG2 2.239 . 2.865 2.347 2.302 2.421 . 0 0 "[ . 1 . 2 . 3]" 1
994 1 44 MET HA 1 44 MET HB2 2.775 . 3.737 3.014 2.994 3.018 . 0 0 "[ . 1 . 2 . 3]" 1
995 1 38 PRO HD2 1 38 PRO QG 2.466 . 3.226 2.268 2.205 2.278 . 0 0 "[ . 1 . 2 . 3]" 1
996 1 5 VAL QG 1 71 GLN HE21 2.889 . 3.933 3.431 2.471 4.327 0.394 12 0 "[ . 1 . 2 . 3]" 1
997 1 52 ASN H 1 57 PHE HB3 4.201 . 6.407 3.937 3.719 4.343 . 0 0 "[ . 1 . 2 . 3]" 1
998 1 11 LEU H 1 11 LEU HA 2.561 . 3.381 2.790 2.770 2.806 . 0 0 "[ . 1 . 2 . 3]" 1
999 1 63 PRO HD2 1 100 TRP HE1 3.462 . 4.960 3.901 3.761 4.182 . 0 0 "[ . 1 . 2 . 3]" 1
1000 1 86 LEU HA 1 86 LEU HG 2.709 . 3.286 2.851 2.802 2.905 . 0 0 "[ . 1 . 2 . 3]" 1
1001 1 101 ALA MB 1 103 ARG H 4.409 . 6.839 4.426 4.248 4.552 . 0 0 "[ . 1 . 2 . 3]" 1
1002 1 117 LYS HA 1 117 LYS HB2 2.721 . 3.647 3.012 3.006 3.019 . 0 0 "[ . 1 . 2 . 3]" 1
1003 1 113 LEU MD1 1 113 LEU HG 2.033 . 2.550 2.124 2.120 2.127 . 0 0 "[ . 1 . 2 . 3]" 1
1004 1 22 LEU HA 1 22 LEU HB3 2.704 . 3.618 2.523 2.501 2.559 . 0 0 "[ . 1 . 2 . 3]" 1
1005 1 72 LEU H 1 72 LEU HB2 2.689 . 3.593 2.414 2.388 2.433 . 0 0 "[ . 1 . 2 . 3]" 1
1006 1 14 TYR HB3 1 15 ARG H 3.816 . 5.636 3.825 3.661 4.067 . 0 0 "[ . 1 . 2 . 3]" 1
1007 1 119 SER H 1 119 SER HB2 2.633 . 3.499 2.824 2.378 3.615 0.116 18 0 "[ . 1 . 2 . 3]" 1
1008 1 89 VAL H 1 89 VAL MG2 2.277 . 2.925 2.282 2.212 2.350 . 0 0 "[ . 1 . 2 . 3]" 1
1009 1 15 ARG HA 1 46 TYR QE 2.579 . 3.410 2.610 2.335 2.866 . 0 0 "[ . 1 . 2 . 3]" 1
1010 1 48 LYS HB3 1 101 ALA MB 2.784 . 3.753 3.729 2.057 4.169 0.416 17 0 "[ . 1 . 2 . 3]" 1
1011 1 31 LYS HB3 1 31 LYS HD3 2.678 . 3.574 2.656 2.431 3.757 0.183 28 0 "[ . 1 . 2 . 3]" 1
1012 1 29 VAL H 1 29 VAL MG2 2.002 . 2.424 1.965 1.929 1.990 . 0 0 "[ . 1 . 2 . 3]" 1
1013 1 80 GLU HA 1 80 GLU QB 2.208 . 2.818 2.376 2.307 2.496 . 0 0 "[ . 1 . 2 . 3]" 1
1014 1 22 LEU HA 1 22 LEU HG 2.680 . 3.578 2.899 2.826 3.016 . 0 0 "[ . 1 . 2 . 3]" 1
1015 1 72 LEU HB2 1 72 LEU MD1 2.352 . 3.044 2.297 2.282 2.313 . 0 0 "[ . 1 . 2 . 3]" 1
1016 1 120 ILE HG12 1 120 ILE MG 2.172 . 2.762 2.321 2.290 2.339 . 0 0 "[ . 1 . 2 . 3]" 1
1017 1 45 CYS H 1 98 CYS HB2 3.941 . 5.883 4.270 4.084 4.481 . 0 0 "[ . 1 . 2 . 3]" 1
1018 1 72 LEU HB3 1 73 ALA H 3.238 . 4.548 3.522 3.345 3.671 . 0 0 "[ . 1 . 2 . 3]" 1
1019 1 106 LYS H 1 106 LYS HG2 3.847 . 5.696 4.209 4.120 4.514 . 0 0 "[ . 1 . 2 . 3]" 1
1020 1 108 PHE H 1 108 PHE QD 3.987 . 5.974 4.154 4.118 4.187 . 0 0 "[ . 1 . 2 . 3]" 1
1021 1 49 CYS H 1 49 CYS HB3 2.544 . 3.353 2.413 2.372 2.460 . 0 0 "[ . 1 . 2 . 3]" 1
1022 1 34 LYS HA 1 34 LYS HB2 2.772 . 3.120 2.922 2.297 3.026 . 0 0 "[ . 1 . 2 . 3]" 1
1023 1 46 TYR H 1 46 TYR HA 2.587 . 3.423 2.790 2.784 2.810 . 0 0 "[ . 1 . 2 . 3]" 1
1024 1 82 ARG HB3 1 82 ARG HD3 2.491 . 3.267 2.649 2.399 3.709 0.442 23 0 "[ . 1 . 2 . 3]" 1
1025 1 105 PHE HA 1 108 PHE H 4.091 . 6.183 3.670 3.586 3.776 . 0 0 "[ . 1 . 2 . 3]" 1
1026 1 113 LEU HA 1 113 LEU HB2 2.246 . 2.877 2.387 2.375 2.405 . 0 0 "[ . 1 . 2 . 3]" 1
1027 1 94 ASP HB2 1 95 ASN H 4.053 . 6.106 3.550 2.808 4.231 . 0 0 "[ . 1 . 2 . 3]" 1
1028 1 40 ASP H 1 43 THR HG1 4.190 . 6.385 4.030 3.701 4.233 . 0 0 "[ . 1 . 2 . 3]" 1
1029 1 5 VAL H 1 5 VAL QG 2.026 . 2.539 1.906 1.824 2.048 . 0 0 "[ . 1 . 2 . 3]" 1
1030 1 14 TYR HB3 1 53 LYS HB2 2.945 . 4.029 2.737 2.575 3.168 . 0 0 "[ . 1 . 2 . 3]" 1
1031 1 67 ASN HA 1 70 HIS QB 2.624 . 2.961 2.356 2.115 2.696 . 0 0 "[ . 1 . 2 . 3]" 1
1032 1 67 ASN HB2 1 68 LEU H 2.809 . 3.795 2.792 2.650 2.874 . 0 0 "[ . 1 . 2 . 3]" 1
1033 1 95 ASN H 1 95 ASN HB2 3.328 . 4.713 3.385 3.018 3.602 . 0 0 "[ . 1 . 2 . 3]" 1
1034 1 4 THR H 1 4 THR HB 3.236 . 4.545 3.050 2.311 3.700 . 0 0 "[ . 1 . 2 . 3]" 1
1035 1 26 ALA H 1 26 ALA MB 2.037 . 2.555 2.201 2.186 2.212 . 0 0 "[ . 1 . 2 . 3]" 1
1036 1 68 LEU H 1 68 LEU HB2 2.472 . 3.236 2.239 2.219 2.253 . 0 0 "[ . 1 . 2 . 3]" 1
1037 1 76 ARG QD 1 115 LEU MD1 2.143 . 2.717 1.934 1.841 2.138 . 0 0 "[ . 1 . 2 . 3]" 1
1038 1 118 ALA HA 1 121 LYS H 3.098 . 4.298 3.316 3.106 3.451 . 0 0 "[ . 1 . 2 . 3]" 1
1039 1 58 ASP HB2 1 60 THR H 4.135 . 6.272 4.399 4.289 4.491 . 0 0 "[ . 1 . 2 . 3]" 1
1040 1 4 THR HB 1 4 THR MG 1.953 . 2.292 2.124 2.113 2.137 . 0 0 "[ . 1 . 2 . 3]" 1
1041 1 112 ASN HB2 1 113 LEU H 4.292 . 6.595 4.470 4.409 4.568 . 0 0 "[ . 1 . 2 . 3]" 1
1042 1 123 ASP HA 1 123 ASP QB 2.251 . 2.884 2.340 2.183 2.427 . 0 0 "[ . 1 . 2 . 3]" 1
1043 1 4 THR H 1 4 THR MG 3.655 . 5.325 3.706 2.429 3.962 . 0 0 "[ . 1 . 2 . 3]" 1
1044 1 99 HIS HA 1 99 HIS HD2 3.518 . 5.065 3.046 2.259 3.968 . 0 0 "[ . 1 . 2 . 3]" 1
1045 1 71 GLN HA 1 71 GLN HB2 2.524 . 3.320 2.551 2.457 2.710 . 0 0 "[ . 1 . 2 . 3]" 1
1046 1 29 VAL HA 1 29 VAL MG2 2.131 . 2.699 2.350 2.334 2.380 . 0 0 "[ . 1 . 2 . 3]" 1
1047 1 11 LEU HA 1 14 TYR H 3.467 . 4.970 3.445 3.275 3.634 . 0 0 "[ . 1 . 2 . 3]" 1
1048 1 66 ASP H 1 67 ASN H 3.087 . 4.278 2.858 2.809 2.921 . 0 0 "[ . 1 . 2 . 3]" 1
1049 1 58 ASP HB3 1 61 GLU H 2.950 . 4.037 2.798 2.683 2.932 . 0 0 "[ . 1 . 2 . 3]" 1
1050 1 39 GLU H 1 39 GLU HB3 2.492 . 3.268 2.557 2.464 3.609 0.341 7 0 "[ . 1 . 2 . 3]" 1
1051 1 109 GLN HA 1 113 LEU HA 2.560 . 3.379 2.595 2.510 2.670 . 0 0 "[ . 1 . 2 . 3]" 1
1052 1 106 LYS HA 1 109 GLN HE21 4.172 . 6.348 2.936 2.584 4.012 . 0 0 "[ . 1 . 2 . 3]" 1
1053 1 11 LEU MD2 1 11 LEU HG 2.186 . 2.784 2.127 2.120 2.129 . 0 0 "[ . 1 . 2 . 3]" 1
1054 1 42 THR H 1 42 THR MG 3.610 . 5.239 3.716 3.593 3.751 . 0 0 "[ . 1 . 2 . 3]" 1
1055 1 21 SER HA 1 22 LEU H 3.889 . 5.780 3.573 3.563 3.582 . 0 0 "[ . 1 . 2 . 3]" 1
1056 1 11 LEU MD2 2 1 ACD H31 2.149 . 2.726 2.020 1.920 2.195 . 0 0 "[ . 1 . 2 . 3]" 1
1057 1 47 ILE HA 1 50 VAL H 3.609 . 5.237 3.604 3.545 3.695 . 0 0 "[ . 1 . 2 . 3]" 1
1058 1 103 ARG H 1 103 ARG HB2 2.652 . 3.531 2.515 2.371 2.642 . 0 0 "[ . 1 . 2 . 3]" 1
1059 1 32 PHE HB2 1 32 PHE QD 2.445 . 3.193 2.336 2.304 2.360 . 0 0 "[ . 1 . 2 . 3]" 1
1060 1 64 LEU HB2 1 67 ASN H 3.694 . 5.400 3.554 3.311 3.685 . 0 0 "[ . 1 . 2 . 3]" 1
1061 1 44 MET HA 1 102 PHE HB2 2.671 . 3.563 2.299 1.982 2.482 . 0 0 "[ . 1 . 2 . 3]" 1
1062 1 108 PHE HA 1 108 PHE HB3 2.801 . 3.782 3.009 3.000 3.015 . 0 0 "[ . 1 . 2 . 3]" 1
1063 1 113 LEU HB2 1 113 LEU HG 2.796 . 3.773 3.011 3.007 3.014 . 0 0 "[ . 1 . 2 . 3]" 1
1064 1 105 PHE H 1 106 LYS HB3 4.578 . 7.198 4.630 4.518 5.357 . 0 0 "[ . 1 . 2 . 3]" 1
1065 1 106 LYS HA 1 109 GLN H 3.770 . 5.547 3.795 3.640 3.988 . 0 0 "[ . 1 . 2 . 3]" 1
1066 1 35 TRP HE3 1 37 PHE HZ 3.100 . 4.302 3.109 2.964 3.311 . 0 0 "[ . 1 . 2 . 3]" 1
1067 1 17 GLU H 1 17 GLU HB3 3.606 . 5.231 3.357 2.091 3.615 . 0 0 "[ . 1 . 2 . 3]" 1
1068 1 7 THR HA 1 8 THR H 2.455 . 3.208 2.599 2.488 2.716 . 0 0 "[ . 1 . 2 . 3]" 1
1069 1 77 ASP H 1 78 ALA H 3.945 . 5.891 4.336 4.147 4.456 . 0 0 "[ . 1 . 2 . 3]" 1
1070 1 62 GLY HA3 1 100 TRP HZ2 3.901 . 5.803 2.886 2.766 3.211 . 0 0 "[ . 1 . 2 . 3]" 1
1071 1 5 VAL QG 1 7 THR MG 2.515 . 3.305 2.439 2.217 4.078 0.773 18 1 "[ . 1 . + 2 . 3]" 1
1072 1 117 LYS H 1 117 LYS HG3 2.674 . 3.568 2.414 2.151 2.481 . 0 0 "[ . 1 . 2 . 3]" 1
1073 1 25 PRO HB2 1 25 PRO HD2 2.908 . 3.965 3.039 2.989 3.092 . 0 0 "[ . 1 . 2 . 3]" 1
1074 1 23 ASN HA 1 24 ILE H 3.009 . 4.141 2.828 2.763 2.874 . 0 0 "[ . 1 . 2 . 3]" 1
1075 1 92 ASN H 1 92 ASN HB2 2.718 . 3.642 2.638 2.478 3.562 . 0 0 "[ . 1 . 2 . 3]" 1
1076 1 12 GLN HB3 1 12 GLN HE22 4.428 . 6.878 4.278 3.495 4.715 . 0 0 "[ . 1 . 2 . 3]" 1
1077 1 7 THR H 1 7 THR MG 2.351 . 3.042 2.329 2.179 2.694 . 0 0 "[ . 1 . 2 . 3]" 1
1078 1 35 TRP HH2 2 1 ACD H6 4.167 . 6.338 3.910 3.756 4.127 . 0 0 "[ . 1 . 2 . 3]" 1
1079 1 92 ASN HA 1 92 ASN HB3 2.863 . 3.888 2.970 2.291 3.022 . 0 0 "[ . 1 . 2 . 3]" 1
1080 1 19 VAL HA 1 19 VAL MG2 2.191 . 2.791 2.189 2.173 2.198 . 0 0 "[ . 1 . 2 . 3]" 1
1081 1 44 MET HB2 1 98 CYS HB3 2.862 . 3.886 2.698 2.311 3.524 . 0 0 "[ . 1 . 2 . 3]" 1
1082 1 11 LEU MD1 1 14 TYR QD 2.626 . 3.488 2.933 2.498 3.615 0.127 29 0 "[ . 1 . 2 . 3]" 1
1083 1 28 TYR H 1 28 TYR HB3 3.360 . 4.771 3.542 3.525 3.563 . 0 0 "[ . 1 . 2 . 3]" 1
1084 1 81 VAL HA 1 81 VAL HB 2.755 . 3.704 3.012 3.004 3.016 . 0 0 "[ . 1 . 2 . 3]" 1
1085 1 12 GLN H 1 15 ARG H 4.821 . 7.727 4.848 4.720 4.967 . 0 0 "[ . 1 . 2 . 3]" 1
1086 1 4 THR MG 1 5 VAL H 2.330 . 3.009 2.936 2.557 4.034 1.025 26 1 "[ . 1 . 2 .+ 3]" 1
1087 1 55 GLN HA 1 55 GLN HG2 2.448 . 3.197 2.597 2.316 3.630 0.433 27 0 "[ . 1 . 2 . 3]" 1
1088 1 35 TRP HH2 1 120 ILE MD 2.757 . 3.707 2.655 2.501 2.831 . 0 0 "[ . 1 . 2 . 3]" 1
1089 1 24 ILE MD 1 46 TYR HB2 2.212 . 2.824 2.313 2.224 2.414 . 0 0 "[ . 1 . 2 . 3]" 1
1090 1 86 LEU HA 1 89 VAL HB 2.389 . 3.102 2.526 2.390 2.646 . 0 0 "[ . 1 . 2 . 3]" 1
1091 1 65 VAL QG 1 66 ASP H 3.389 . 4.825 3.074 2.298 3.183 . 0 0 "[ . 1 . 2 . 3]" 1
1092 1 47 ILE MD 1 47 ILE MG 2.109 . 2.665 2.009 1.992 2.032 . 0 0 "[ . 1 . 2 . 3]" 1
1093 1 38 PRO HD2 1 38 PRO HG3 2.637 . 3.506 2.998 2.722 3.013 . 0 0 "[ . 1 . 2 . 3]" 1
1094 1 55 GLN HB2 1 56 LEU H 4.356 . 6.727 4.367 4.173 4.452 . 0 0 "[ . 1 . 2 . 3]" 1
1095 1 49 CYS HA 1 50 VAL H 3.806 . 5.616 3.567 3.550 3.598 . 0 0 "[ . 1 . 2 . 3]" 1
1096 1 53 LYS H 1 53 LYS HB3 3.346 . 4.745 3.535 3.504 3.577 . 0 0 "[ . 1 . 2 . 3]" 1
1097 1 113 LEU MD1 1 116 ILE H 3.860 . 5.722 3.961 3.873 4.024 . 0 0 "[ . 1 . 2 . 3]" 1
1098 1 121 LYS HA 1 122 LYS H 2.128 . 2.694 2.144 2.105 2.195 . 0 0 "[ . 1 . 2 . 3]" 1
1099 1 19 VAL MG2 1 46 TYR QE 2.391 . 3.106 2.396 2.192 2.541 . 0 0 "[ . 1 . 2 . 3]" 1
1100 1 10 ASP HA 1 10 ASP QB 2.174 . 2.765 2.321 2.146 2.364 . 0 0 "[ . 1 . 2 . 3]" 1
1101 1 77 ASP H 1 77 ASP HB2 2.451 . 3.202 2.482 2.321 2.610 . 0 0 "[ . 1 . 2 . 3]" 1
1102 1 66 ASP HA 1 69 VAL H 3.579 . 5.180 3.624 3.439 3.839 . 0 0 "[ . 1 . 2 . 3]" 1
1103 1 57 PHE H 1 57 PHE HB3 3.054 . 4.220 2.770 2.712 2.817 . 0 0 "[ . 1 . 2 . 3]" 1
1104 1 89 VAL HB 1 89 VAL MG1 1.915 . 2.373 2.128 2.122 2.133 . 0 0 "[ . 1 . 2 . 3]" 1
1105 1 35 TRP HA 1 36 GLU H 2.531 . 3.332 2.733 2.616 2.837 . 0 0 "[ . 1 . 2 . 3]" 1
1106 1 15 ARG HB3 1 16 THR H 3.410 . 4.263 3.387 2.906 4.061 . 0 0 "[ . 1 . 2 . 3]" 1
1107 1 57 PHE HB3 1 57 PHE QD 2.408 . 3.133 2.354 2.330 2.378 . 0 0 "[ . 1 . 2 . 3]" 1
1108 1 39 GLU HB2 1 39 GLU QG 2.379 . 3.087 2.374 2.289 2.460 . 0 0 "[ . 1 . 2 . 3]" 1
1109 1 4 THR HA 1 5 VAL H 1.908 . 2.363 2.113 2.077 2.183 . 0 0 "[ . 1 . 2 . 3]" 1
1110 1 74 HIS H 1 74 HIS HB3 2.778 . 3.742 2.611 2.477 3.527 . 0 0 "[ . 1 . 2 . 3]" 1
1111 1 110 LYS HA 1 110 LYS HB2 2.434 . 3.175 2.487 2.437 2.666 . 0 0 "[ . 1 . 2 . 3]" 1
1112 1 31 LYS HA 1 31 LYS HG2 2.624 . 3.064 2.671 2.450 3.829 0.765 26 4 "[ . 1 . 2 -.+** 3]" 1
1113 1 35 TRP H 1 36 GLU H 3.221 . 4.518 2.862 2.698 2.973 . 0 0 "[ . 1 . 2 . 3]" 1
1114 1 18 CYS HB3 1 46 TYR QD 2.700 . 3.612 2.791 2.660 2.881 . 0 0 "[ . 1 . 2 . 3]" 1
1115 1 85 VAL HA 1 108 PHE QD 2.196 . 2.799 2.399 2.335 2.456 . 0 0 "[ . 1 . 2 . 3]" 1
1116 1 64 LEU MD2 1 64 LEU HG 1.973 . 2.459 2.121 2.115 2.124 . 0 0 "[ . 1 . 2 . 3]" 1
1117 1 88 CYS HB3 1 89 VAL H 3.946 . 5.893 4.003 3.879 4.233 . 0 0 "[ . 1 . 2 . 3]" 1
1118 1 22 LEU HB2 1 24 ILE MD 2.098 . 2.648 2.319 2.242 2.596 . 0 0 "[ . 1 . 2 . 3]" 1
1119 1 113 LEU HG 1 117 LYS QE 2.457 . 3.212 2.420 2.206 2.545 . 0 0 "[ . 1 . 2 . 3]" 1
1120 1 27 ASP H 1 29 VAL H 4.069 . 6.139 4.072 4.026 4.128 . 0 0 "[ . 1 . 2 . 3]" 1
1121 1 102 PHE HB3 1 103 ARG H 3.127 . 4.349 2.870 2.822 2.954 . 0 0 "[ . 1 . 2 . 3]" 1
1122 1 86 LEU HA 1 87 LYS H 3.629 . 5.275 3.494 3.470 3.513 . 0 0 "[ . 1 . 2 . 3]" 1
1123 1 19 VAL HB 1 20 SER H 2.664 . 3.551 2.571 2.506 2.631 . 0 0 "[ . 1 . 2 . 3]" 1
1124 1 57 PHE H 1 57 PHE HB2 3.467 . 4.970 3.354 3.255 3.402 . 0 0 "[ . 1 . 2 . 3]" 1
1125 1 68 LEU HA 1 68 LEU HB3 2.814 . 3.055 2.618 2.608 2.627 . 0 0 "[ . 1 . 2 . 3]" 1
1126 1 47 ILE HB 1 47 ILE MD 2.942 . 4.024 3.245 3.241 3.251 . 0 0 "[ . 1 . 2 . 3]" 1
1127 1 25 PRO HD3 1 42 THR MG 2.922 . 3.989 2.861 2.667 3.027 . 0 0 "[ . 1 . 2 . 3]" 1
1128 1 118 ALA H 1 118 ALA MB 1.918 . 2.378 2.217 2.205 2.235 . 0 0 "[ . 1 . 2 . 3]" 1
1129 1 63 PRO HB2 1 63 PRO HD3 2.870 . 3.900 3.920 3.899 3.953 0.053 17 0 "[ . 1 . 2 . 3]" 1
1130 1 50 VAL H 1 50 VAL HB 2.429 . 3.166 2.499 2.349 3.639 0.473 18 0 "[ . 1 . 2 . 3]" 1
1131 1 29 VAL HB 1 29 VAL MG2 1.945 . 2.418 2.124 2.120 2.127 . 0 0 "[ . 1 . 2 . 3]" 1
1132 1 64 LEU HA 1 65 VAL H 2.020 . 2.530 2.151 2.110 2.198 . 0 0 "[ . 1 . 2 . 3]" 1
1133 1 22 LEU H 1 22 LEU HG 2.520 . 3.314 2.623 2.514 2.735 . 0 0 "[ . 1 . 2 . 3]" 1
1134 1 51 PHE HA 1 51 PHE HB3 2.524 . 3.320 2.682 2.660 2.722 . 0 0 "[ . 1 . 2 . 3]" 1
1135 1 117 LYS HB3 1 117 LYS QD 2.575 . 3.404 2.405 2.375 2.435 . 0 0 "[ . 1 . 2 . 3]" 1
1136 1 89 VAL MG1 1 90 ASP H 2.301 . 2.963 2.947 2.498 3.262 0.299 20 0 "[ . 1 . 2 . 3]" 1
1137 1 58 ASP HB3 1 61 GLU HB2 2.668 . 3.558 2.635 2.417 2.863 . 0 0 "[ . 1 . 2 . 3]" 1
1138 1 22 LEU H 1 24 ILE H 3.634 . 5.285 3.724 3.637 3.797 . 0 0 "[ . 1 . 2 . 3]" 1
1139 1 86 LEU MD1 1 86 LEU HG 2.024 . 2.536 2.126 2.124 2.128 . 0 0 "[ . 1 . 2 . 3]" 1
1140 1 13 ARG HD2 1 13 ARG HG3 2.314 . 2.983 2.597 2.328 3.016 0.033 4 0 "[ . 1 . 2 . 3]" 1
1141 1 37 PHE QD 1 47 ILE MD 2.455 . 3.208 2.409 2.326 2.529 . 0 0 "[ . 1 . 2 . 3]" 1
1142 1 11 LEU HB3 1 12 GLN H 2.799 . 3.779 2.760 2.577 2.900 . 0 0 "[ . 1 . 2 . 3]" 1
1143 1 74 HIS HA 1 74 HIS HD2 3.118 . 4.333 3.296 2.804 4.428 0.095 11 0 "[ . 1 . 2 . 3]" 1
1144 1 8 THR H 1 8 THR HB 2.590 . 3.429 2.678 2.548 2.952 . 0 0 "[ . 1 . 2 . 3]" 1
1145 1 68 LEU HB3 1 72 LEU MD1 3.098 . 4.298 2.848 2.719 3.026 . 0 0 "[ . 1 . 2 . 3]" 1
1146 1 33 LYS HA 1 33 LYS HG3 2.731 . 3.664 2.521 2.322 3.648 . 0 0 "[ . 1 . 2 . 3]" 1
1147 1 46 TYR QE 1 47 ILE MD 2.623 . 3.483 2.746 2.645 2.825 . 0 0 "[ . 1 . 2 . 3]" 1
1148 1 89 VAL H 1 90 ASP H 4.283 . 6.576 4.358 4.205 4.538 . 0 0 "[ . 1 . 2 . 3]" 1
1149 1 77 ASP HA 1 77 ASP QB 2.143 . 2.717 2.376 2.335 2.442 . 0 0 "[ . 1 . 2 . 3]" 1
1150 1 74 HIS HB3 1 74 HIS HD2 2.944 . 4.027 3.614 2.754 3.979 . 0 0 "[ . 1 . 2 . 3]" 1
1151 1 6 SER HA 1 6 SER QB 2.533 . 3.335 2.269 2.170 2.363 . 0 0 "[ . 1 . 2 . 3]" 1
1152 1 68 LEU HA 1 71 GLN H 3.716 . 5.442 3.621 3.538 3.721 . 0 0 "[ . 1 . 2 . 3]" 1
1153 1 102 PHE HB3 1 102 PHE QD 2.363 . 3.061 2.315 2.299 2.339 . 0 0 "[ . 1 . 2 . 3]" 1
1154 1 46 TYR HA 1 46 TYR QD 2.643 . 3.516 2.693 2.609 2.786 . 0 0 "[ . 1 . 2 . 3]" 1
1155 1 22 LEU HB3 1 22 LEU MD1 2.202 . 2.808 2.426 2.380 2.457 . 0 0 "[ . 1 . 2 . 3]" 1
1156 1 83 THR MG 1 84 GLU HA 3.006 . 4.135 3.107 2.976 3.839 . 0 0 "[ . 1 . 2 . 3]" 1
1157 1 23 ASN H 1 23 ASN HB2 3.551 . 5.128 3.369 3.010 3.575 . 0 0 "[ . 1 . 2 . 3]" 1
1158 1 73 ALA MB 1 74 HIS H 3.483 . 5.000 3.637 3.590 3.663 . 0 0 "[ . 1 . 2 . 3]" 1
1159 1 40 ASP H 1 40 ASP HB3 3.264 . 4.596 2.965 2.755 3.410 . 0 0 "[ . 1 . 2 . 3]" 1
1160 1 123 ASP HA 1 123 ASP HB3 2.433 . 3.173 2.842 2.421 3.027 . 0 0 "[ . 1 . 2 . 3]" 1
1161 1 3 PHE H 1 4 THR H 4.563 . 7.166 4.401 4.120 4.531 . 0 0 "[ . 1 . 2 . 3]" 1
1162 1 76 ARG HB3 1 76 ARG HG3 2.333 . 3.014 3.003 2.955 3.017 0.003 11 0 "[ . 1 . 2 . 3]" 1
1163 1 27 ASP HA 1 30 GLU H 3.818 . 5.640 3.686 3.425 3.929 . 0 0 "[ . 1 . 2 . 3]" 1
1164 1 15 ARG H 1 15 ARG HA 2.505 . 3.290 2.798 2.728 2.826 . 0 0 "[ . 1 . 2 . 3]" 1
1165 1 113 LEU H 1 113 LEU HB2 2.942 . 4.024 2.819 2.727 2.875 . 0 0 "[ . 1 . 2 . 3]" 1
1166 1 86 LEU H 1 86 LEU HG 2.396 . 3.113 2.345 2.285 2.529 . 0 0 "[ . 1 . 2 . 3]" 1
1167 1 121 LYS H 1 121 LYS HB3 2.429 . 3.166 2.516 2.429 2.799 . 0 0 "[ . 1 . 2 . 3]" 1
1168 1 25 PRO HB2 1 28 TYR QD 2.661 . 3.546 2.281 1.894 2.533 . 0 0 "[ . 1 . 2 . 3]" 1
1169 1 122 LYS HB2 1 123 ASP H 3.639 . 5.294 4.014 2.582 4.624 . 0 0 "[ . 1 . 2 . 3]" 1
1170 1 76 ARG QD 1 76 ARG HG2 2.313 . 2.982 2.330 2.274 2.391 . 0 0 "[ . 1 . 2 . 3]" 1
1171 1 41 ASP H 1 41 ASP HA 2.918 . 3.982 2.776 2.723 2.835 . 0 0 "[ . 1 . 2 . 3]" 1
1172 1 54 MET H 1 54 MET HB3 3.494 . 5.020 3.581 3.537 3.617 . 0 0 "[ . 1 . 2 . 3]" 1
1173 1 68 LEU HA 1 68 LEU HG 2.426 . 3.162 2.639 2.589 2.661 . 0 0 "[ . 1 . 2 . 3]" 1
1174 1 64 LEU HA 1 66 ASP H 3.976 . 5.952 3.886 3.714 4.017 . 0 0 "[ . 1 . 2 . 3]" 1
1175 1 86 LEU MD2 1 86 LEU HG 1.997 . 2.496 2.125 2.123 2.127 . 0 0 "[ . 1 . 2 . 3]" 1
1176 1 43 THR MG 1 102 PHE QE 2.348 . 3.037 2.327 2.227 2.391 . 0 0 "[ . 1 . 2 . 3]" 1
1177 1 56 LEU MD2 1 68 LEU HA 2.181 . 2.776 2.050 1.972 2.104 . 0 0 "[ . 1 . 2 . 3]" 1
1178 1 77 ASP HA 1 77 ASP HB3 2.409 . 3.135 2.582 2.435 3.021 . 0 0 "[ . 1 . 2 . 3]" 1
1179 1 45 CYS H 1 47 ILE H 4.277 . 6.563 4.324 4.153 4.417 . 0 0 "[ . 1 . 2 . 3]" 1
1180 1 47 ILE MD 1 47 ILE HG12 2.136 . 2.706 2.115 2.113 2.118 . 0 0 "[ . 1 . 2 . 3]" 1
1181 1 64 LEU H 1 64 LEU HB3 3.417 . 4.877 3.648 3.627 3.696 . 0 0 "[ . 1 . 2 . 3]" 1
1182 1 91 LYS QB 1 92 ASN H 2.748 . 3.692 2.639 2.423 3.372 . 0 0 "[ . 1 . 2 . 3]" 1
1183 1 97 ALA MB 1 98 CYS H 2.801 . 3.782 2.737 2.608 2.886 . 0 0 "[ . 1 . 2 . 3]" 1
1184 1 47 ILE HA 1 47 ILE HG12 2.788 . 3.760 2.993 2.956 3.026 . 0 0 "[ . 1 . 2 . 3]" 1
1185 1 40 ASP H 1 44 MET HG2 4.211 . 6.428 4.138 3.846 5.292 . 0 0 "[ . 1 . 2 . 3]" 1
1186 1 76 ARG HB3 1 77 ASP H 2.665 . 3.553 2.429 2.122 2.585 . 0 0 "[ . 1 . 2 . 3]" 1
1187 1 14 TYR QD 1 54 MET HG3 2.504 . 3.288 2.669 2.506 3.590 0.302 20 0 "[ . 1 . 2 . 3]" 1
1188 1 121 LYS HB3 1 121 LYS QG 2.297 . 2.956 2.320 2.170 2.429 . 0 0 "[ . 1 . 2 . 3]" 1
1189 1 56 LEU HB2 1 56 LEU MD1 2.418 . 3.149 2.323 2.296 2.353 . 0 0 "[ . 1 . 2 . 3]" 1
1190 1 77 ASP HA 1 78 ALA H 1.919 . 2.379 2.093 2.060 2.176 . 0 0 "[ . 1 . 2 . 3]" 1
1191 1 30 GLU HA 1 33 LYS H 3.810 . 5.625 3.572 3.342 3.802 . 0 0 "[ . 1 . 2 . 3]" 1
1192 1 108 PHE QE 1 116 ILE H 4.341 . 6.697 4.039 3.958 4.160 . 0 0 "[ . 1 . 2 . 3]" 1
1193 1 54 MET ME 2 1 ACD H41 3.141 . 4.375 5.026 4.154 6.255 1.880 11 24 "[* ** ***1+*********- ****** *]" 1
1194 1 68 LEU MD2 2 1 ACD H162 2.707 . 3.623 1.856 1.805 1.914 . 0 0 "[ . 1 . 2 . 3]" 1
1195 1 71 GLN HG3 2 1 ACD H11 3.089 . 4.282 2.860 2.270 3.915 . 0 0 "[ . 1 . 2 . 3]" 1
1196 1 120 ILE HG12 2 1 ACD H9 3.348 . 4.749 3.623 3.435 3.744 . 0 0 "[ . 1 . 2 . 3]" 1
1197 1 116 ILE MD 2 1 ACD H15 2.549 . 3.361 2.750 2.618 2.860 . 0 0 "[ . 1 . 2 . 3]" 1
1198 1 71 GLN HG2 2 1 ACD H11 3.009 . 4.141 3.011 2.556 5.064 0.923 29 1 "[ . 1 . 2 . +3]" 1
1199 1 85 VAL QG 2 1 ACD H181 2.925 . 3.995 2.718 2.604 3.589 . 0 0 "[ . 1 . 2 . 3]" 1
1200 1 116 ILE MG 2 1 ACD H9 2.434 . 3.174 2.345 2.256 2.494 . 0 0 "[ . 1 . 2 . 3]" 1
1201 1 72 LEU H 2 1 ACD H11 4.374 . 6.766 4.719 4.587 4.872 . 0 0 "[ . 1 . 2 . 3]" 1
1202 1 108 PHE HB3 2 1 ACD H172 2.991 . 4.110 2.828 2.747 2.928 . 0 0 "[ . 1 . 2 . 3]" 1
1203 1 120 ILE MG 2 1 ACD H72 3.520 . 5.069 3.516 3.420 3.618 . 0 0 "[ . 1 . 2 . 3]" 1
1204 1 54 MET ME 2 1 ACD H101 2.546 . 3.356 2.158 1.870 2.478 . 0 0 "[ . 1 . 2 . 3]" 1
1205 1 72 LEU MD2 2 1 ACD H132 3.366 . 4.782 3.773 3.656 3.878 . 0 0 "[ . 1 . 2 . 3]" 1
1206 1 116 ILE MD 2 1 ACD H14 2.790 . 3.763 2.687 2.608 2.803 . 0 0 "[ . 1 . 2 . 3]" 1
1207 1 72 LEU H 2 1 ACD H12 4.340 . 6.694 4.100 4.023 4.196 . 0 0 "[ . 1 . 2 . 3]" 1
1208 1 72 LEU MD2 2 1 ACD H14 3.099 . 4.299 3.183 3.054 3.301 . 0 0 "[ . 1 . 2 . 3]" 1
1209 1 56 LEU MD1 2 1 ACD H101 2.949 . 3.795 2.841 2.740 3.079 . 0 0 "[ . 1 . 2 . 3]" 1
1210 1 11 LEU MD2 2 1 ACD H32 2.925 . 3.994 3.103 2.973 3.273 . 0 0 "[ . 1 . 2 . 3]" 1
1211 1 104 GLY HA3 2 1 ACD H192 2.988 . 4.104 2.985 2.804 3.119 . 0 0 "[ . 1 . 2 . 3]" 1
1212 1 72 LEU MD2 2 1 ACD H12 2.235 . 2.860 2.174 2.124 2.209 . 0 0 "[ . 1 . 2 . 3]" 1
1213 1 108 PHE HB3 2 1 ACD H171 3.005 . 4.134 2.963 2.817 3.038 . 0 0 "[ . 1 . 2 . 3]" 1
1214 1 56 LEU MD1 2 1 ACD H132 2.756 . 3.705 2.663 2.577 2.750 . 0 0 "[ . 1 . 2 . 3]" 1
1215 1 120 ILE MG 2 1 ACD H71 3.591 . 5.203 3.783 3.632 3.904 . 0 0 "[ . 1 . 2 . 3]" 1
1216 1 47 ILE MD 2 1 ACD H5 2.798 . 3.776 3.012 2.896 3.221 . 0 0 "[ . 1 . 2 . 3]" 1
1217 1 116 ILE MG 2 1 ACD H14 2.216 . 2.830 2.277 2.193 2.370 . 0 0 "[ . 1 . 2 . 3]" 1
1218 1 56 LEU MD2 2 1 ACD H132 3.340 . 4.735 3.521 3.442 3.593 . 0 0 "[ . 1 . 2 . 3]" 1
1219 1 120 ILE MG 2 1 ACD H101 3.442 . 4.923 3.414 3.303 3.593 . 0 0 "[ . 1 . 2 . 3]" 1
1220 1 120 ILE MD 2 1 ACD H8 2.509 . 3.296 2.409 2.313 2.522 . 0 0 "[ . 1 . 2 . 3]" 1
1221 1 120 ILE MG 2 1 ACD H9 2.225 . 2.844 2.177 2.104 2.242 . 0 0 "[ . 1 . 2 . 3]" 1
1222 1 116 ILE MG 2 1 ACD H102 3.232 . 4.538 3.034 2.856 3.171 . 0 0 "[ . 1 . 2 . 3]" 1
1223 1 72 LEU MD1 2 1 ACD H12 2.683 . 3.583 2.701 2.615 2.765 . 0 0 "[ . 1 . 2 . 3]" 1
1224 1 11 LEU MD2 2 1 ACD H41 3.323 . 4.703 4.613 4.547 4.773 0.070 5 0 "[ . 1 . 2 . 3]" 1
1225 1 11 LEU MD2 2 1 ACD H8 2.643 . 3.516 2.823 2.670 3.000 . 0 0 "[ . 1 . 2 . 3]" 1
1226 1 105 PHE HB3 2 1 ACD H15 3.875 . 5.751 5.312 5.190 5.436 . 0 0 "[ . 1 . 2 . 3]" 1
1227 1 108 PHE HB2 2 1 ACD H172 2.976 . 4.083 2.823 2.728 2.928 . 0 0 "[ . 1 . 2 . 3]" 1
1228 1 116 ILE MG 2 1 ACD H6 2.454 . 3.207 2.234 1.891 2.350 . 0 0 "[ . 1 . 2 . 3]" 1
1229 1 68 LEU MD2 2 1 ACD H12 2.949 . 4.036 2.773 2.691 2.886 . 0 0 "[ . 1 . 2 . 3]" 1
1230 1 104 GLY HA2 2 1 ACD H192 3.041 . 4.197 2.915 2.757 3.007 . 0 0 "[ . 1 . 2 . 3]" 1
1231 1 120 ILE MG 2 1 ACD H8 2.418 . 3.149 2.467 2.368 2.553 . 0 0 "[ . 1 . 2 . 3]" 1
1232 1 56 LEU MD1 2 1 ACD H12 3.065 . 4.239 3.030 2.944 3.159 . 0 0 "[ . 1 . 2 . 3]" 1
1233 1 56 LEU MD2 2 1 ACD H12 3.633 . 5.283 3.674 3.527 3.796 . 0 0 "[ . 1 . 2 . 3]" 1
1234 1 108 PHE H 2 1 ACD H192 3.528 . 5.084 3.900 3.707 4.023 . 0 0 "[ . 1 . 2 . 3]" 1
1235 1 50 VAL QG 2 1 ACD H42 2.708 . 3.625 2.553 2.478 2.649 . 0 0 "[ . 1 . 2 . 3]" 1
1236 1 85 VAL QG 2 1 ACD H171 3.128 . 4.351 3.258 3.152 3.996 . 0 0 "[ . 1 . 2 . 3]" 1
1237 1 108 PHE HB3 2 1 ACD H15 3.224 . 4.523 2.968 2.872 3.034 . 0 0 "[ . 1 . 2 . 3]" 1
1238 1 120 ILE HG12 2 1 ACD H8 3.451 . 4.940 3.370 3.238 3.543 . 0 0 "[ . 1 . 2 . 3]" 1
1239 1 11 LEU MD1 2 1 ACD H72 2.773 . 3.734 2.546 2.285 2.728 . 0 0 "[ . 1 . 2 . 3]" 1
1240 1 56 LEU MD1 2 1 ACD H11 3.014 . 4.150 3.221 3.097 3.399 . 0 0 "[ . 1 . 2 . 3]" 1
1241 1 47 ILE MD 2 1 ACD H42 2.498 . 3.278 4.026 3.745 4.199 0.921 20 29 "[** ********-*******+**********]" 1
1242 1 11 LEU MD1 2 1 ACD H71 2.972 . 4.076 3.083 2.950 3.230 . 0 0 "[ . 1 . 2 . 3]" 1
1243 1 72 LEU HG 2 1 ACD H11 3.436 . 4.912 3.524 3.452 3.631 . 0 0 "[ . 1 . 2 . 3]" 1
1244 1 54 MET ME 2 1 ACD H71 2.547 . 3.358 2.518 2.328 3.445 0.087 11 0 "[ . 1 . 2 . 3]" 1
1245 1 11 LEU MD1 2 1 ACD H41 2.820 . 3.814 3.727 3.578 3.976 0.162 28 0 "[ . 1 . 2 . 3]" 1
1246 1 11 LEU MD2 2 1 ACD H71 3.324 . 4.705 3.410 3.282 3.581 . 0 0 "[ . 1 . 2 . 3]" 1
1247 1 50 VAL QG 2 1 ACD H32 3.416 . 4.875 2.171 1.819 2.430 0.138 2 0 "[ . 1 . 2 . 3]" 1
1248 1 116 ILE MD 2 1 ACD H6 3.245 . 4.561 3.379 3.226 3.514 . 0 0 "[ . 1 . 2 . 3]" 1
1249 1 50 VAL QG 2 1 ACD H41 2.748 . 3.692 2.709 2.484 2.865 . 0 0 "[ . 1 . 2 . 3]" 1
1250 1 11 LEU MD1 2 1 ACD H31 2.498 . 3.278 2.429 2.270 2.729 . 0 0 "[ . 1 . 2 . 3]" 1
1251 1 14 TYR HB2 1 50 VAL QG 2.835 . 3.179 2.589 2.221 3.158 . 0 0 "[ . 1 . 2 . 3]" 1
1252 1 117 LYS HA 1 120 ILE QG 2.544 . 3.353 2.709 2.532 2.940 . 0 0 "[ . 1 . 2 . 3]" 1
1253 1 76 ARG HB3 1 81 VAL H 4.010 . 6.020 4.485 4.286 4.753 . 0 0 "[ . 1 . 2 . 3]" 1
1254 1 62 GLY HA3 1 100 TRP HH2 3.272 . 4.610 3.226 2.975 3.492 . 0 0 "[ . 1 . 2 . 3]" 1
1255 1 32 PHE HZ 1 43 THR HA 2.410 . 3.136 2.534 2.401 2.720 . 0 0 "[ . 1 . 2 . 3]" 1
1256 1 58 ASP H 1 61 GLU HG3 4.491 . 7.012 4.950 4.835 5.069 . 0 0 "[ . 1 . 2 . 3]" 1
1257 1 54 MET ME 1 56 LEU H 4.795 . 7.668 5.024 4.172 5.192 . 0 0 "[ . 1 . 2 . 3]" 1
1258 1 103 ARG H 1 104 GLY HA3 4.684 . 7.427 4.830 4.736 4.929 . 0 0 "[ . 1 . 2 . 3]" 1
1259 1 76 ARG QD 1 77 ASP H 4.251 . 6.510 4.057 3.672 4.664 . 0 0 "[ . 1 . 2 . 3]" 1
1260 1 13 ARG HA 1 13 ARG HG3 2.546 . 3.356 2.745 2.480 3.861 0.505 8 1 "[ . + 1 . 2 . 3]" 1
1261 1 115 LEU HA 1 117 LYS H 4.383 . 6.785 4.193 4.071 4.265 . 0 0 "[ . 1 . 2 . 3]" 1
1262 1 64 LEU HB2 1 69 VAL H 4.184 . 6.373 4.583 4.549 4.647 . 0 0 "[ . 1 . 2 . 3]" 1
1263 1 84 GLU HB3 1 112 ASN HD22 3.067 . 4.243 2.896 2.734 3.176 . 0 0 "[ . 1 . 2 . 3]" 1
1264 1 80 GLU HG3 1 83 THR H 4.199 . 6.403 4.706 4.439 5.830 . 0 0 "[ . 1 . 2 . 3]" 1
1265 1 57 PHE HA 1 63 PRO HA 2.460 . 3.216 2.586 2.399 2.700 . 0 0 "[ . 1 . 2 . 3]" 1
1266 1 22 LEU MD2 1 45 CYS HB3 2.494 . 3.271 2.732 2.590 3.398 0.127 6 0 "[ . 1 . 2 . 3]" 1
1267 1 105 PHE QD 1 108 PHE HB3 3.586 . 5.194 3.902 3.779 4.066 . 0 0 "[ . 1 . 2 . 3]" 1
1268 1 64 LEU HG 1 65 VAL H 4.402 . 6.824 5.016 4.890 5.365 . 0 0 "[ . 1 . 2 . 3]" 1
1269 1 103 ARG H 1 103 ARG HG2 3.876 . 5.754 4.268 3.520 4.446 . 0 0 "[ . 1 . 2 . 3]" 1
1270 1 114 SER HA 1 117 LYS QD 2.822 . 3.817 2.693 2.511 2.937 . 0 0 "[ . 1 . 2 . 3]" 1
1271 1 65 VAL HA 1 69 VAL H 3.802 . 5.609 3.718 3.596 3.841 . 0 0 "[ . 1 . 2 . 3]" 1
1272 1 48 LYS H 1 48 LYS HE3 4.355 . 6.725 4.532 4.153 4.830 . 0 0 "[ . 1 . 2 . 3]" 1
1273 1 13 ARG HD3 1 13 ARG HG2 2.340 . 3.024 2.597 2.404 3.018 . 0 0 "[ . 1 . 2 . 3]" 1
1274 1 103 ARG HG2 1 105 PHE H 4.481 . 6.991 4.862 4.363 5.079 . 0 0 "[ . 1 . 2 . 3]" 1
1275 1 37 PHE QB 1 102 PHE HZ 2.923 . 3.991 2.999 2.658 3.262 . 0 0 "[ . 1 . 2 . 3]" 1
1276 1 96 ASN HB2 1 99 HIS H 4.315 . 6.642 4.137 2.361 4.717 . 0 0 "[ . 1 . 2 . 3]" 1
1277 1 48 LYS QG 1 98 CYS HA 2.720 . 3.645 2.899 1.801 3.666 0.021 14 0 "[ . 1 . 2 . 3]" 1
1278 1 109 GLN H 1 113 LEU MD1 4.361 . 6.738 4.976 4.888 5.032 . 0 0 "[ . 1 . 2 . 3]" 1
1279 1 95 ASN HB2 1 96 ASN H 4.081 . 6.163 4.191 3.941 4.614 . 0 0 "[ . 1 . 2 . 3]" 1
1280 1 21 SER H 1 22 LEU MD2 4.525 . 7.084 5.159 4.989 5.348 . 0 0 "[ . 1 . 2 . 3]" 1
1281 1 103 ARG HG2 1 104 GLY H 4.630 . 7.309 3.954 3.582 4.824 . 0 0 "[ . 1 . 2 . 3]" 1
1282 1 55 GLN H 1 55 GLN HE21 4.856 . 7.804 5.102 2.930 5.898 . 0 0 "[ . 1 . 2 . 3]" 1
1283 1 19 VAL HA 1 20 SER H 2.947 . 4.033 3.268 3.222 3.296 . 0 0 "[ . 1 . 2 . 3]" 1
1284 1 22 LEU MD1 1 45 CYS HB2 2.687 . 3.590 2.752 2.637 3.109 . 0 0 "[ . 1 . 2 . 3]" 1
1285 1 10 ASP QB 1 13 ARG H 4.284 . 6.578 3.835 2.421 4.010 . 0 0 "[ . 1 . 2 . 3]" 1
1286 1 51 PHE QD 1 52 ASN H 4.578 . 7.198 4.497 4.445 4.646 . 0 0 "[ . 1 . 2 . 3]" 1
1287 1 43 THR MG 1 46 TYR H 4.632 . 7.314 4.719 4.607 4.801 . 0 0 "[ . 1 . 2 . 3]" 1
1288 1 102 PHE HB2 1 105 PHE QD 3.504 . 5.039 3.787 3.678 3.910 . 0 0 "[ . 1 . 2 . 3]" 1
1289 1 90 ASP HB3 1 104 GLY H 4.624 . 7.297 4.573 4.289 4.707 . 0 0 "[ . 1 . 2 . 3]" 1
1290 1 120 ILE H 1 121 LYS HB2 4.464 . 6.955 4.314 4.049 4.642 . 0 0 "[ . 1 . 2 . 3]" 1
1291 1 117 LYS QD 1 118 ALA H 4.346 . 6.707 4.746 4.594 4.948 . 0 0 "[ . 1 . 2 . 3]" 1
1292 1 109 GLN HE21 1 110 LYS HA 4.591 . 7.225 4.472 2.306 5.821 . 0 0 "[ . 1 . 2 . 3]" 1
1293 1 53 LYS HB3 1 53 LYS QD 2.765 . 3.721 2.529 2.227 3.322 . 0 0 "[ . 1 . 2 . 3]" 1
1294 1 67 ASN HA 1 69 VAL H 4.302 . 6.615 4.167 4.059 4.254 . 0 0 "[ . 1 . 2 . 3]" 1
1295 1 16 THR H 1 17 GLU HG3 3.884 . 5.770 4.265 3.612 4.877 . 0 0 "[ . 1 . 2 . 3]" 1
1296 1 14 TYR HB2 1 50 VAL H 4.125 . 6.252 4.970 4.592 5.144 . 0 0 "[ . 1 . 2 . 3]" 1
1297 1 72 LEU MD1 1 73 ALA H 4.275 . 6.560 4.527 4.309 4.647 . 0 0 "[ . 1 . 2 . 3]" 1
1298 1 109 GLN HB2 1 113 LEU MD1 2.178 . 2.771 2.049 1.990 2.111 . 0 0 "[ . 1 . 2 . 3]" 1
1299 1 117 LYS HG2 1 118 ALA H 4.696 . 7.452 5.043 4.958 5.132 . 0 0 "[ . 1 . 2 . 3]" 1
1300 1 63 PRO HG3 1 100 TRP HE1 4.224 . 6.454 4.597 4.313 4.858 . 0 0 "[ . 1 . 2 . 3]" 1
1301 1 62 GLY HA2 1 100 TRP HZ2 3.209 . 4.496 3.980 3.661 4.491 . 0 0 "[ . 1 . 2 . 3]" 1
1302 1 63 PRO HD3 1 89 VAL MG1 2.763 . 3.717 3.805 3.492 3.963 0.246 28 0 "[ . 1 . 2 . 3]" 1
1303 1 76 ARG HB3 1 81 VAL MG2 2.992 . 4.111 2.778 2.553 2.913 . 0 0 "[ . 1 . 2 . 3]" 1
1304 1 52 ASN HB2 1 55 GLN H 4.444 . 6.913 4.567 4.405 5.071 . 0 0 "[ . 1 . 2 . 3]" 1
1305 1 2 GLU HA 1 2 GLU HB3 2.686 . 3.588 2.523 2.430 3.017 . 0 0 "[ . 1 . 2 . 3]" 1
1306 1 71 GLN HG3 1 72 LEU H 4.098 . 6.198 3.689 3.254 4.732 . 0 0 "[ . 1 . 2 . 3]" 1
1307 1 54 MET HB3 1 54 MET ME 2.416 . 3.146 2.391 2.207 2.697 . 0 0 "[ . 1 . 2 . 3]" 1
1308 1 69 VAL QG 1 70 HIS H 3.493 . 5.018 3.174 2.489 3.270 . 0 0 "[ . 1 . 2 . 3]" 1
1309 1 58 ASP H 1 59 ASP H 4.592 . 7.227 4.438 4.381 4.518 . 0 0 "[ . 1 . 2 . 3]" 1
1310 1 60 THR MG 1 61 GLU HG2 2.926 . 3.996 2.754 2.576 2.891 . 0 0 "[ . 1 . 2 . 3]" 1
1311 1 88 CYS H 1 89 VAL HB 3.890 . 5.782 4.261 4.122 4.420 . 0 0 "[ . 1 . 2 . 3]" 1
1312 1 112 ASN H 1 113 LEU QD 4.713 . 7.489 5.130 5.056 5.218 . 0 0 "[ . 1 . 2 . 3]" 1
1313 1 48 LYS HG3 1 52 ASN H 4.313 . 6.638 4.273 4.156 4.456 . 0 0 "[ . 1 . 2 . 3]" 1
1314 1 16 THR HA 1 20 SER H 3.096 . 4.295 3.967 3.412 4.414 0.119 24 0 "[ . 1 . 2 . 3]" 1
1315 1 68 LEU HB3 1 72 LEU H 3.939 . 5.878 4.175 4.122 4.271 . 0 0 "[ . 1 . 2 . 3]" 1
1316 1 63 PRO HG2 1 89 VAL HA 2.885 . 3.578 2.873 2.541 3.836 0.258 30 0 "[ . 1 . 2 . 3]" 1
1317 1 11 LEU MD1 1 54 MET ME 1.949 . 2.424 2.234 2.051 2.922 0.498 11 0 "[ . 1 . 2 . 3]" 1
1318 1 72 LEU H 1 73 ALA MB 4.178 . 6.360 4.448 4.378 4.509 . 0 0 "[ . 1 . 2 . 3]" 1
1319 1 69 VAL QG 1 73 ALA H 2.664 . 3.551 2.621 2.553 3.048 . 0 0 "[ . 1 . 2 . 3]" 1
1320 1 65 VAL H 1 68 LEU HB2 3.863 . 5.728 4.434 4.312 4.533 . 0 0 "[ . 1 . 2 . 3]" 1
1321 1 32 PHE QR 1 37 PHE QD 3.085 . 4.274 2.874 2.769 3.125 . 0 0 "[ . 1 . 2 . 3]" 1
1322 1 66 ASP HA 1 70 HIS H 3.979 . 5.958 4.208 4.065 4.417 . 0 0 "[ . 1 . 2 . 3]" 1
1323 1 56 LEU MD2 1 67 ASN H 3.901 . 5.803 4.274 4.109 4.458 . 0 0 "[ . 1 . 2 . 3]" 1
1324 1 85 VAL QG 1 88 CYS H 3.824 . 5.652 4.024 3.977 4.231 . 0 0 "[ . 1 . 2 . 3]" 1
1325 1 102 PHE H 1 105 PHE H 4.599 . 7.243 4.880 4.799 4.973 . 0 0 "[ . 1 . 2 . 3]" 1
1326 1 46 TYR H 1 47 ILE HB 4.341 . 6.696 4.798 4.742 4.836 . 0 0 "[ . 1 . 2 . 3]" 1
1327 1 31 LYS HB3 1 31 LYS HD2 2.708 . 3.624 2.861 2.452 2.997 . 0 0 "[ . 1 . 2 . 3]" 1
1328 1 21 SER H 1 22 LEU HB2 4.089 . 6.179 4.146 3.984 4.259 . 0 0 "[ . 1 . 2 . 3]" 1
1329 1 92 ASN H 1 92 ASN QD 4.240 . 6.487 3.246 2.087 3.812 . 0 0 "[ . 1 . 2 . 3]" 1
1330 1 61 GLU HG3 1 62 GLY H 4.045 . 6.090 4.212 3.976 4.468 . 0 0 "[ . 1 . 2 . 3]" 1
1331 1 56 LEU HA 1 56 LEU HG 2.515 . 3.305 2.500 2.454 2.563 . 0 0 "[ . 1 . 2 . 3]" 1
1332 1 16 THR MG 1 20 SER QB 2.688 . 3.591 3.489 2.813 4.201 0.610 7 1 "[ . + 1 . 2 . 3]" 1
1333 1 46 TYR H 1 47 ILE HG12 4.425 . 6.873 4.581 4.443 4.655 . 0 0 "[ . 1 . 2 . 3]" 1
1334 1 97 ALA MB 1 100 TRP H 4.544 . 7.125 4.444 4.272 4.570 . 0 0 "[ . 1 . 2 . 3]" 1
1335 1 84 GLU QB 1 87 LYS H 4.270 . 6.549 4.435 4.394 4.539 . 0 0 "[ . 1 . 2 . 3]" 1
1336 1 60 THR MG 1 61 GLU HG3 2.782 . 3.749 3.040 2.793 3.205 . 0 0 "[ . 1 . 2 . 3]" 1
1337 1 54 MET HB3 1 56 LEU MD1 2.696 . 3.605 2.658 2.419 2.780 . 0 0 "[ . 1 . 2 . 3]" 1
1338 1 52 ASN QD 1 59 ASP H 4.724 . 7.230 3.845 2.670 5.015 . 0 0 "[ . 1 . 2 . 3]" 1
1339 1 35 TRP HE3 1 113 LEU MD1 2.542 . 3.350 2.522 2.367 2.672 . 0 0 "[ . 1 . 2 . 3]" 1
1340 1 70 HIS H 1 72 LEU H 4.432 . 6.888 4.537 4.444 4.641 . 0 0 "[ . 1 . 2 . 3]" 1
1341 1 78 ALA HA 1 81 VAL MG2 2.480 . 3.249 2.981 2.738 3.449 0.200 23 0 "[ . 1 . 2 . 3]" 1
1342 1 33 LYS H 1 33 LYS HG2 3.764 . 5.535 4.505 4.107 4.624 . 0 0 "[ . 1 . 2 . 3]" 1
1343 1 31 LYS HD2 1 38 PRO HD3 3.112 . 4.323 3.509 3.050 4.604 0.281 24 0 "[ . 1 . 2 . 3]" 1
1344 1 114 SER HA 1 118 ALA H 4.146 . 6.295 4.194 3.994 4.454 . 0 0 "[ . 1 . 2 . 3]" 1
1345 1 91 LYS HA 1 100 TRP HE1 4.150 . 6.303 3.655 2.828 4.441 . 0 0 "[ . 1 . 2 . 3]" 1
1346 1 63 PRO HB3 1 64 LEU H 3.669 . 5.351 3.777 3.608 4.062 . 0 0 "[ . 1 . 2 . 3]" 1
1347 1 50 VAL QG 1 52 ASN H 4.625 . 7.299 4.314 4.161 4.376 . 0 0 "[ . 1 . 2 . 3]" 1
1348 1 58 ASP H 1 61 GLU H 4.801 . 7.683 4.907 4.819 5.008 . 0 0 "[ . 1 . 2 . 3]" 1
1349 1 56 LEU H 1 57 PHE HB3 4.440 . 6.905 4.244 4.164 4.391 . 0 0 "[ . 1 . 2 . 3]" 1
1350 1 110 LYS H 1 110 LYS HG3 4.010 . 6.020 4.416 4.319 4.555 . 0 0 "[ . 1 . 2 . 3]" 1
1351 1 110 LYS H 1 110 LYS HG2 4.028 . 6.056 4.433 4.121 4.555 . 0 0 "[ . 1 . 2 . 3]" 1
1352 1 27 ASP H 1 29 VAL MG2 4.307 . 6.626 4.457 4.355 4.520 . 0 0 "[ . 1 . 2 . 3]" 1
1353 1 84 GLU H 1 85 VAL QG 4.264 . 6.537 4.343 3.806 4.395 . 0 0 "[ . 1 . 2 . 3]" 1
1354 1 51 PHE HA 1 56 LEU H 4.361 . 6.738 4.063 3.854 4.295 . 0 0 "[ . 1 . 2 . 3]" 1
1355 1 91 LYS H 1 93 THR MG 4.199 . 6.403 3.972 3.393 4.773 . 0 0 "[ . 1 . 2 . 3]" 1
1356 1 29 VAL MG1 1 33 LYS H 4.341 . 6.697 4.312 3.982 5.012 . 0 0 "[ . 1 . 2 . 3]" 1
1357 1 16 THR MG 1 17 GLU HG3 2.756 . 3.705 3.595 3.237 4.091 0.386 5 0 "[ . 1 . 2 . 3]" 1
1358 1 52 ASN QD 1 57 PHE QD 4.196 . 6.397 3.960 2.868 4.293 . 0 0 "[ . 1 . 2 . 3]" 1
1359 1 82 ARG H 1 82 ARG QG 4.090 . 5.968 3.921 3.907 3.936 . 0 0 "[ . 1 . 2 . 3]" 1
1360 1 110 LYS HG3 1 111 ASN H 4.451 . 6.927 4.576 3.963 4.838 . 0 0 "[ . 1 . 2 . 3]" 1
1361 1 103 ARG HD3 1 103 ARG QH1 3.121 . 4.339 2.207 1.652 3.212 0.251 17 0 "[ . 1 . 2 . 3]" 1
1362 1 86 LEU HB3 1 88 CYS H 4.182 . 6.368 4.500 3.082 4.618 . 0 0 "[ . 1 . 2 . 3]" 1
1363 1 76 ARG HB2 1 81 VAL MG2 2.833 . 3.836 2.762 2.516 3.253 . 0 0 "[ . 1 . 2 . 3]" 1
1364 1 13 ARG HG3 1 14 TYR H 4.094 . 6.189 4.416 3.789 4.790 . 0 0 "[ . 1 . 2 . 3]" 1
1365 1 107 CYS H 1 109 GLN H 4.467 . 6.961 4.415 4.285 4.526 . 0 0 "[ . 1 . 2 . 3]" 1
1366 1 39 GLU HG3 1 44 MET ME 3.091 . 4.285 2.571 2.263 4.513 0.228 7 0 "[ . 1 . 2 . 3]" 1
1367 1 54 MET HB2 1 56 LEU MD1 3.322 . 4.701 3.001 2.489 3.167 . 0 0 "[ . 1 . 2 . 3]" 1
1368 1 22 LEU HB2 1 22 LEU MD1 2.122 . 2.685 2.043 2.015 2.134 . 0 0 "[ . 1 . 2 . 3]" 1
1369 1 88 CYS H 1 89 VAL MG2 3.545 . 5.116 3.322 3.220 3.436 . 0 0 "[ . 1 . 2 . 3]" 1
1370 1 40 ASP HB2 1 44 MET H 4.748 . 7.566 4.726 4.616 4.946 . 0 0 "[ . 1 . 2 . 3]" 1
1371 1 32 PHE HA 1 32 PHE QD 2.119 . 2.680 2.071 2.022 2.132 . 0 0 "[ . 1 . 2 . 3]" 1
1372 1 22 LEU MD1 1 47 ILE H 4.434 . 6.891 4.672 4.573 4.745 . 0 0 "[ . 1 . 2 . 3]" 1
1373 1 115 LEU H 1 116 ILE HA 4.728 . 7.522 5.184 5.135 5.230 . 0 0 "[ . 1 . 2 . 3]" 1
1374 1 117 LYS HA 1 119 SER H 4.450 . 6.925 4.275 4.091 4.472 . 0 0 "[ . 1 . 2 . 3]" 1
1375 1 30 GLU QG 1 31 LYS H 4.238 . 6.483 3.586 2.697 3.792 . 0 0 "[ . 1 . 2 . 3]" 1
1376 1 44 MET HB2 1 46 TYR H 4.578 . 7.198 4.404 4.279 4.700 . 0 0 "[ . 1 . 2 . 3]" 1
1377 1 113 LEU H 1 116 ILE MD 4.283 . 6.576 4.245 4.177 4.346 . 0 0 "[ . 1 . 2 . 3]" 1
1378 1 106 LYS HA 1 110 LYS H 4.536 . 7.108 4.196 3.958 4.391 . 0 0 "[ . 1 . 2 . 3]" 1
1379 1 35 TRP H 1 37 PHE QE 4.987 . 8.095 4.695 4.609 4.809 . 0 0 "[ . 1 . 2 . 3]" 1
1380 1 78 ALA H 1 79 GLU HB2 4.089 . 6.179 4.179 4.108 4.233 . 0 0 "[ . 1 . 2 . 3]" 1
1381 1 44 MET HG2 1 102 PHE HB3 3.200 . 4.480 2.968 2.563 3.685 . 0 0 "[ . 1 . 2 . 3]" 1
1382 1 74 HIS HB2 1 76 ARG H 4.840 . 7.768 4.672 4.389 4.840 . 0 0 "[ . 1 . 2 . 3]" 1
1383 1 68 LEU H 1 70 HIS H 4.060 . 6.120 4.055 3.930 4.168 . 0 0 "[ . 1 . 2 . 3]" 1
1384 1 80 GLU HA 1 83 THR H 3.675 . 5.363 3.519 3.369 3.681 . 0 0 "[ . 1 . 2 . 3]" 1
1385 1 26 ALA H 1 29 VAL MG2 4.299 . 6.609 4.005 3.920 4.092 . 0 0 "[ . 1 . 2 . 3]" 1
1386 1 18 CYS H 1 19 VAL MG2 4.545 . 7.127 4.443 4.199 4.615 . 0 0 "[ . 1 . 2 . 3]" 1
1387 1 117 LYS QE 1 117 LYS HG3 2.703 . 3.616 2.445 2.386 2.544 . 0 0 "[ . 1 . 2 . 3]" 1
1388 1 89 VAL MG1 1 100 TRP HE1 4.203 . 6.412 4.023 3.740 4.271 . 0 0 "[ . 1 . 2 . 3]" 1
1389 1 84 GLU HA 1 87 LYS QD 2.478 . 3.245 2.529 2.183 4.263 1.018 29 1 "[ . 1 . 2 . +3]" 1
1390 1 29 VAL QG 1 31 LYS H 4.435 . 6.894 4.500 4.445 4.583 . 0 0 "[ . 1 . 2 . 3]" 1
1391 1 24 ILE MD 1 45 CYS H 4.537 . 7.110 4.994 4.830 5.170 . 0 0 "[ . 1 . 2 . 3]" 1
1392 1 56 LEU MD2 1 71 GLN HG3 2.724 . 3.651 3.857 3.340 4.045 0.394 18 0 "[ . 1 . 2 . 3]" 1
1393 1 63 PRO HD3 1 90 ASP H 4.819 . 7.722 4.956 4.463 5.495 . 0 0 "[ . 1 . 2 . 3]" 1
1394 1 56 LEU MD2 1 72 LEU H 4.305 . 6.622 3.918 3.811 4.024 . 0 0 "[ . 1 . 2 . 3]" 1
1395 1 66 ASP H 1 68 LEU HB2 4.016 . 6.032 4.528 4.445 4.604 . 0 0 "[ . 1 . 2 . 3]" 1
1396 1 16 THR MG 1 17 GLU HA 2.680 . 3.578 3.339 2.871 4.122 0.544 4 1 "[ +. 1 . 2 . 3]" 1
1397 1 70 HIS HA 1 72 LEU H 4.334 . 6.682 4.126 3.724 4.453 . 0 0 "[ . 1 . 2 . 3]" 1
1398 1 71 GLN HE21 1 72 LEU HA 4.881 . 7.860 4.321 3.244 6.319 . 0 0 "[ . 1 . 2 . 3]" 1
1399 1 67 ASN H 1 69 VAL H 4.584 . 7.211 4.348 4.258 4.570 . 0 0 "[ . 1 . 2 . 3]" 1
1400 1 69 VAL QG 1 79 GLU H 4.598 . 7.240 4.401 4.206 4.707 . 0 0 "[ . 1 . 2 . 3]" 1
1401 1 92 ASN H 1 92 ASN QD 4.334 . 6.682 4.460 3.385 4.600 . 0 0 "[ . 1 . 2 . 3]" 1
1402 1 72 LEU MD2 1 74 HIS H 4.211 . 6.428 4.239 4.114 4.533 . 0 0 "[ . 1 . 2 . 3]" 1
1403 1 48 LYS QG 1 49 CYS H 4.067 . 6.135 3.585 2.191 4.209 . 0 0 "[ . 1 . 2 . 3]" 1
1404 1 54 MET HB2 1 56 LEU H 4.096 . 6.193 3.677 3.270 3.892 . 0 0 "[ . 1 . 2 . 3]" 1
1405 1 12 GLN H 1 13 ARG QB 4.221 . 6.448 4.344 4.170 4.699 . 0 0 "[ . 1 . 2 . 3]" 1
1406 1 103 ARG HA 1 106 LYS H 3.886 . 5.774 3.587 3.320 3.823 . 0 0 "[ . 1 . 2 . 3]" 1
1407 1 69 VAL QG 1 82 ARG HB3 2.758 . 3.709 3.176 3.116 3.256 . 0 0 "[ . 1 . 2 . 3]" 1
1408 1 56 LEU MD1 1 71 GLN HB3 2.621 . 3.480 2.482 2.431 2.547 . 0 0 "[ . 1 . 2 . 3]" 1
1409 1 11 LEU MD1 1 15 ARG H 4.101 . 6.204 3.874 3.664 4.169 . 0 0 "[ . 1 . 2 . 3]" 1
1410 1 106 LYS HG3 1 109 GLN HE21 4.735 . 7.537 3.807 3.068 5.556 . 0 0 "[ . 1 . 2 . 3]" 1
1411 1 31 LYS HD3 1 38 PRO HD3 3.054 . 4.220 3.115 2.035 3.965 . 0 0 "[ . 1 . 2 . 3]" 1
1412 1 62 GLY HA2 1 100 TRP HE1 4.197 . 6.399 4.272 3.325 4.958 . 0 0 "[ . 1 . 2 . 3]" 1
1413 1 106 LYS HB2 1 108 PHE H 4.383 . 6.784 4.741 4.652 4.837 . 0 0 "[ . 1 . 2 . 3]" 1
1414 1 63 PRO HB2 1 85 VAL QG 2.748 . 3.692 3.393 3.137 3.784 0.092 10 0 "[ . 1 . 2 . 3]" 1
1415 1 39 GLU HG2 1 44 MET ME 3.040 . 4.195 2.832 2.394 4.042 . 0 0 "[ . 1 . 2 . 3]" 1
1416 1 48 LYS HA 1 101 ALA H 4.440 . 6.904 4.453 4.302 4.653 . 0 0 "[ . 1 . 2 . 3]" 1
1417 1 85 VAL H 1 86 LEU HG 4.264 . 6.536 4.701 4.348 4.821 . 0 0 "[ . 1 . 2 . 3]" 1
1418 1 56 LEU H 1 56 LEU HG 3.587 . 5.196 3.743 3.570 3.860 . 0 0 "[ . 1 . 2 . 3]" 1
1419 1 64 LEU MD2 1 65 VAL H 3.547 . 5.119 4.067 3.825 4.936 . 0 0 "[ . 1 . 2 . 3]" 1
1420 1 78 ALA MB 1 82 ARG H 4.106 . 6.214 4.247 4.143 4.372 . 0 0 "[ . 1 . 2 . 3]" 1
1421 1 58 ASP H 1 63 PRO HA 3.831 . 5.666 3.730 3.524 3.892 . 0 0 "[ . 1 . 2 . 3]" 1
1422 1 86 LEU QD 1 87 LYS H 3.905 . 5.811 4.194 4.162 4.239 . 0 0 "[ . 1 . 2 . 3]" 1
1423 1 31 LYS HG3 1 32 PHE H 3.991 . 5.982 4.119 3.383 4.327 . 0 0 "[ . 1 . 2 . 3]" 1
1424 1 63 PRO HG2 1 89 VAL MG1 2.233 . 2.856 2.371 1.979 2.514 . 0 0 "[ . 1 . 2 . 3]" 1
1425 1 55 GLN HB2 1 55 GLN HE22 4.587 . 7.217 4.511 3.770 5.353 . 0 0 "[ . 1 . 2 . 3]" 1
1426 1 8 THR MG 1 9 GLU HA 2.924 . 3.993 3.678 3.280 4.511 0.518 20 1 "[ . 1 . + . 3]" 1
1427 1 44 MET HG2 1 102 PHE HB2 3.195 . 4.471 2.914 2.499 4.006 . 0 0 "[ . 1 . 2 . 3]" 1
1428 1 33 LYS HG3 1 34 LYS H 3.732 . 5.473 4.183 3.835 4.578 . 0 0 "[ . 1 . 2 . 3]" 1
1429 1 84 GLU HA 1 87 LYS QB 2.682 . 3.581 2.829 2.611 3.811 0.230 10 0 "[ . 1 . 2 . 3]" 1
1430 1 48 LYS H 1 48 LYS QG 3.984 . 5.969 3.601 1.750 3.992 0.249 20 0 "[ . 1 . 2 . 3]" 1
1431 1 110 LYS QE 1 111 ASN HD21 4.661 . 7.376 5.968 3.650 8.157 0.781 3 1 "[ + . 1 . 2 . 3]" 1
1432 1 71 GLN HB3 1 73 ALA H 3.986 . 5.972 4.057 3.976 4.146 . 0 0 "[ . 1 . 2 . 3]" 1
1433 1 89 VAL HA 1 100 TRP HE1 4.187 . 6.378 4.346 4.085 4.526 . 0 0 "[ . 1 . 2 . 3]" 1
1434 1 105 PHE H 1 107 CYS H 4.451 . 6.927 4.201 4.114 4.312 . 0 0 "[ . 1 . 2 . 3]" 1
1435 1 33 LYS HB3 1 33 LYS HG2 2.734 . 3.668 2.452 2.364 3.015 . 0 0 "[ . 1 . 2 . 3]" 1
1436 1 93 THR H 1 103 ARG QH 2.482 . 3.252 2.768 2.213 4.652 1.400 4 1 "[ +. 1 . 2 . 3]" 1
1437 1 101 ALA HA 1 105 PHE H 4.599 . 7.243 4.324 4.131 4.470 . 0 0 "[ . 1 . 2 . 3]" 1
1438 1 101 ALA H 1 102 PHE HB3 4.383 . 6.784 4.864 4.799 4.978 . 0 0 "[ . 1 . 2 . 3]" 1
1439 1 11 LEU HA 1 11 LEU HG 2.733 . 3.666 3.145 3.085 3.210 . 0 0 "[ . 1 . 2 . 3]" 1
1440 1 48 LYS H 1 98 CYS HA 3.958 . 5.916 4.027 3.853 4.366 . 0 0 "[ . 1 . 2 . 3]" 1
1441 1 92 ASN HA 1 100 TRP H 4.668 . 7.392 4.628 4.444 4.910 . 0 0 "[ . 1 . 2 . 3]" 1
1442 1 51 PHE HB3 1 56 LEU H 4.195 . 6.394 4.148 3.931 4.313 . 0 0 "[ . 1 . 2 . 3]" 1
1443 1 69 VAL QG 1 82 ARG H 2.632 . 3.498 2.699 2.616 3.147 . 0 0 "[ . 1 . 2 . 3]" 1
1444 1 104 GLY HA2 1 108 PHE H 4.483 . 6.995 4.360 4.269 4.489 . 0 0 "[ . 1 . 2 . 3]" 1
1445 1 123 ASP HA 1 123 ASP HB2 2.492 . 3.268 2.561 2.408 3.028 . 0 0 "[ . 1 . 2 . 3]" 1
1446 1 13 ARG H 1 13 ARG HG3 4.154 . 6.311 4.301 2.396 4.535 . 0 0 "[ . 1 . 2 . 3]" 1
1447 1 112 ASN H 1 113 LEU HA 4.552 . 7.142 4.366 4.254 4.437 . 0 0 "[ . 1 . 2 . 3]" 1
1448 1 20 SER HB2 1 23 ASN H 3.997 . 5.994 4.086 3.977 4.210 . 0 0 "[ . 1 . 2 . 3]" 1
1449 1 62 GLY H 1 100 TRP HZ2 4.394 . 6.807 5.002 4.791 5.554 . 0 0 "[ . 1 . 2 . 3]" 1
1450 1 84 GLU QG 1 85 VAL H 4.016 . 6.032 4.009 2.612 4.275 . 0 0 "[ . 1 . 2 . 3]" 1
1451 1 54 MET H 1 54 MET HG2 3.693 . 5.398 3.861 2.680 4.061 . 0 0 "[ . 1 . 2 . 3]" 1
1452 1 52 ASN H 1 53 LYS QG 4.294 . 6.598 4.545 4.135 5.585 . 0 0 "[ . 1 . 2 . 3]" 1
1453 1 102 PHE HA 1 106 LYS H 4.040 . 6.080 3.836 3.712 3.939 . 0 0 "[ . 1 . 2 . 3]" 1
1454 1 97 ALA MB 1 99 HIS H 4.416 . 6.853 4.615 4.464 4.779 . 0 0 "[ . 1 . 2 . 3]" 1
1455 1 50 VAL QG 1 54 MET HG3 3.229 . 4.532 3.079 2.398 3.415 . 0 0 "[ . 1 . 2 . 3]" 1
1456 1 65 VAL QG 1 85 VAL QG 2.031 . 2.547 1.964 1.871 2.048 . 0 0 "[ . 1 . 2 . 3]" 1
1457 1 8 THR MG 1 12 GLN HE22 4.280 . 6.569 4.111 3.075 5.394 . 0 0 "[ . 1 . 2 . 3]" 1
1458 1 52 ASN QD 1 57 PHE HB3 4.691 . 7.441 4.497 3.819 5.195 . 0 0 "[ . 1 . 2 . 3]" 1
1459 1 15 ARG QD 1 16 THR H 4.148 . 6.299 4.631 4.065 5.415 . 0 0 "[ . 1 . 2 . 3]" 1
1460 1 35 TRP H 1 35 TRP HD1 2.740 . 3.678 3.370 2.961 3.803 0.125 27 0 "[ . 1 . 2 . 3]" 1
1461 1 76 ARG QD 1 115 LEU MD2 3.156 . 4.401 3.345 2.891 4.205 . 0 0 "[ . 1 . 2 . 3]" 1
1462 1 50 VAL HB 1 52 ASN H 4.349 . 6.713 4.809 4.646 5.771 . 0 0 "[ . 1 . 2 . 3]" 1
1463 1 109 GLN HE21 1 113 LEU QD 4.488 . 7.006 4.639 3.317 5.120 . 0 0 "[ . 1 . 2 . 3]" 1
1464 1 55 GLN HB3 1 55 GLN HE22 3.871 . 5.745 3.507 3.254 3.905 . 0 0 "[ . 1 . 2 . 3]" 1
1465 1 107 CYS HA 1 111 ASN HD22 3.901 . 5.803 4.690 2.049 6.521 0.718 16 2 "[ . 1 - .+ 2 . 3]" 1
1466 1 77 ASP H 1 80 GLU QB 4.316 . 6.644 4.204 3.894 4.541 . 0 0 "[ . 1 . 2 . 3]" 1
1467 1 19 VAL MG2 1 24 ILE H 4.257 . 6.522 4.332 4.270 4.443 . 0 0 "[ . 1 . 2 . 3]" 1
1468 1 115 LEU H 1 116 ILE HG12 4.246 . 6.499 5.650 5.451 5.923 . 0 0 "[ . 1 . 2 . 3]" 1
1469 1 115 LEU QD 1 116 ILE H 3.758 . 5.523 3.996 3.889 4.085 . 0 0 "[ . 1 . 2 . 3]" 1
1470 1 106 LYS HG3 1 107 CYS H 4.281 . 6.571 4.338 3.212 4.882 . 0 0 "[ . 1 . 2 . 3]" 1
1471 1 26 ALA MB 1 30 GLU H 4.218 . 6.442 4.445 4.269 4.703 . 0 0 "[ . 1 . 2 . 3]" 1
1472 1 100 TRP H 1 101 ALA MB 4.660 . 7.374 4.369 4.273 4.444 . 0 0 "[ . 1 . 2 . 3]" 1
1473 1 25 PRO QG 1 27 ASP H 4.136 . 6.274 4.394 4.278 4.494 . 0 0 "[ . 1 . 2 . 3]" 1
1474 1 51 PHE HA 1 57 PHE H 4.218 . 6.442 4.222 4.098 4.327 . 0 0 "[ . 1 . 2 . 3]" 1
1475 1 80 GLU QB 1 83 THR H 3.823 . 5.650 4.118 4.036 4.331 . 0 0 "[ . 1 . 2 . 3]" 1
1476 1 81 VAL MG2 1 82 ARG H 3.771 . 5.548 3.823 3.781 3.869 . 0 0 "[ . 1 . 2 . 3]" 1
1477 1 9 GLU HA 1 12 GLN HG2 3.151 . 4.392 4.328 2.574 5.159 0.767 20 7 "[*- . 1 * * + * *. 3]" 1
1478 1 82 ARG H 1 82 ARG HD2 4.361 . 6.738 4.935 4.624 5.887 . 0 0 "[ . 1 . 2 . 3]" 1
1479 1 82 ARG QG 1 86 LEU MD1 2.382 . 3.091 2.253 2.194 2.358 . 0 0 "[ . 1 . 2 . 3]" 1
1480 1 68 LEU HB2 1 68 LEU MD2 2.223 . 2.841 2.229 2.153 2.309 . 0 0 "[ . 1 . 2 . 3]" 1
1481 1 37 PHE HB2 1 109 GLN HE21 4.650 . 7.353 4.636 3.406 6.927 . 0 0 "[ . 1 . 2 . 3]" 1
1482 1 110 LYS HB3 1 110 LYS HG3 2.646 . 3.521 2.887 2.435 3.003 . 0 0 "[ . 1 . 2 . 3]" 1
1483 1 121 LYS H 1 122 LYS H 4.476 . 6.981 4.447 4.360 4.531 . 0 0 "[ . 1 . 2 . 3]" 1
1484 1 31 LYS HG2 1 32 PHE H 4.362 . 6.740 4.590 2.577 4.945 . 0 0 "[ . 1 . 2 . 3]" 1
1485 1 44 MET HB3 1 99 HIS H 4.498 . 7.027 4.046 3.858 4.354 . 0 0 "[ . 1 . 2 . 3]" 1
1486 1 22 LEU MD2 1 45 CYS HB2 2.905 . 3.960 3.262 3.060 4.478 0.518 6 1 "[ .+ 1 . 2 . 3]" 1
1487 1 91 LYS QG 1 92 ASN H 3.674 . 5.361 4.041 2.286 4.514 . 0 0 "[ . 1 . 2 . 3]" 1
1488 1 63 PRO HB2 1 89 VAL H 4.253 . 6.514 4.602 4.474 4.666 . 0 0 "[ . 1 . 2 . 3]" 1
1489 1 72 LEU MD2 1 119 SER H 3.810 . 5.624 3.628 3.482 3.795 . 0 0 "[ . 1 . 2 . 3]" 1
1490 1 31 LYS H 1 31 LYS QE 4.361 . 6.739 4.469 4.208 5.564 . 0 0 "[ . 1 . 2 . 3]" 1
1491 1 31 LYS HA 1 36 GLU HB2 2.816 . 3.807 3.238 2.534 4.329 0.522 12 1 "[ . 1 + . 2 . 3]" 1
1492 1 110 LYS QB 1 110 LYS HG3 2.472 . 3.236 2.317 2.141 2.406 . 0 0 "[ . 1 . 2 . 3]" 1
1493 1 62 GLY HA2 1 100 TRP HH2 3.433 . 4.906 3.756 3.550 4.040 . 0 0 "[ . 1 . 2 . 3]" 1
1494 1 52 ASN QD 1 57 PHE H 3.969 . 5.938 4.112 3.661 6.293 0.355 25 0 "[ . 1 . 2 . 3]" 1
1495 1 19 VAL MG1 1 21 SER H 4.482 . 6.993 4.558 4.367 4.722 . 0 0 "[ . 1 . 2 . 3]" 1
1496 1 95 ASN HB3 1 96 ASN H 4.303 . 6.617 4.317 3.976 4.442 . 0 0 "[ . 1 . 2 . 3]" 1
1497 1 8 THR HA 1 120 ILE MD 2.584 . 3.418 2.497 2.344 3.697 0.279 20 0 "[ . 1 . 2 . 3]" 1
1498 1 44 MET ME 1 45 CYS H 4.622 . 7.293 4.985 4.768 5.662 . 0 0 "[ . 1 . 2 . 3]" 1
1499 1 12 GLN HB2 1 14 TYR H 4.287 . 6.584 4.603 4.186 5.074 . 0 0 "[ . 1 . 2 . 3]" 1
1500 1 58 ASP H 1 62 GLY HA2 4.543 . 7.123 3.538 3.262 3.857 . 0 0 "[ . 1 . 2 . 3]" 1
1501 1 29 VAL QG 1 32 PHE H 3.928 . 5.857 4.348 4.264 4.476 . 0 0 "[ . 1 . 2 . 3]" 1
1502 1 68 LEU QD 1 69 VAL H 3.648 . 5.311 3.520 3.437 3.686 . 0 0 "[ . 1 . 2 . 3]" 1
1503 1 110 LYS HB2 1 112 ASN H 4.171 . 6.346 4.786 4.662 4.901 . 0 0 "[ . 1 . 2 . 3]" 1
1504 1 65 VAL QG 1 66 ASP HA 2.851 . 3.867 3.155 2.902 3.230 . 0 0 "[ . 1 . 2 . 3]" 1
1505 1 19 VAL MG1 1 20 SER QB 2.935 . 4.012 3.549 3.240 4.150 0.138 6 0 "[ . 1 . 2 . 3]" 1
1506 1 100 TRP HE1 1 103 ARG QH 4.782 . 7.640 4.376 2.844 6.432 . 0 0 "[ . 1 . 2 . 3]" 1
1507 1 85 VAL QG 1 89 VAL H 3.923 . 5.847 4.014 3.882 4.173 . 0 0 "[ . 1 . 2 . 3]" 1
1508 1 103 ARG HD2 1 103 ARG QH 3.183 . 4.449 2.376 1.679 3.152 0.238 21 0 "[ . 1 . 2 . 3]" 1
1509 1 79 GLU H 1 81 VAL MG2 4.553 . 7.144 4.849 4.650 5.162 . 0 0 "[ . 1 . 2 . 3]" 1
1510 1 122 LYS HA 1 122 LYS HB3 2.554 . 3.370 2.610 2.239 2.981 . 0 0 "[ . 1 . 2 . 3]" 1
1511 1 44 MET HG2 1 45 CYS H 4.481 . 6.991 4.659 4.564 4.695 . 0 0 "[ . 1 . 2 . 3]" 1
1512 1 8 THR MG 1 12 GLN HG2 3.009 . 4.141 3.635 2.665 4.956 0.815 21 1 "[ . 1 . 2+ . 3]" 1
1513 1 109 GLN HE22 1 113 LEU QD 4.638 . 7.327 4.310 3.566 4.658 . 0 0 "[ . 1 . 2 . 3]" 1
1514 1 51 PHE HB2 1 57 PHE HB3 3.091 . 4.285 3.013 2.854 3.202 . 0 0 "[ . 1 . 2 . 3]" 1
1515 1 106 LYS HB2 1 109 GLN HE21 4.639 . 7.329 3.755 3.483 4.276 . 0 0 "[ . 1 . 2 . 3]" 1
1516 1 19 VAL MG1 1 24 ILE H 3.512 . 5.054 3.370 3.276 3.450 . 0 0 "[ . 1 . 2 . 3]" 1
1517 1 111 ASN HB3 1 112 ASN HD21 4.470 . 6.968 4.762 3.650 5.617 . 0 0 "[ . 1 . 2 . 3]" 1
1518 1 11 LEU HA 1 14 TYR QE 3.330 . 4.716 3.203 2.548 3.437 . 0 0 "[ . 1 . 2 . 3]" 1
1519 1 12 GLN HA 1 13 ARG H 2.913 . 3.974 3.294 3.252 3.328 . 0 0 "[ . 1 . 2 . 3]" 1
1520 1 27 ASP HA 1 30 GLU QG 2.751 . 3.697 2.849 2.448 4.558 0.861 9 1 "[ . +1 . 2 . 3]" 1
1521 1 65 VAL H 1 67 ASN H 4.522 . 7.078 4.731 4.605 4.826 . 0 0 "[ . 1 . 2 . 3]" 1
1522 1 19 VAL H 1 20 SER QB 4.235 . 6.476 4.532 4.348 5.024 . 0 0 "[ . 1 . 2 . 3]" 1
1523 1 68 LEU H 1 68 LEU HG 2.748 . 3.692 2.733 2.694 2.773 . 0 0 "[ . 1 . 2 . 3]" 1
1524 1 11 LEU HB2 1 11 LEU HG 2.802 . 3.784 3.007 3.003 3.010 . 0 0 "[ . 1 . 2 . 3]" 1
1525 1 22 LEU MD2 1 23 ASN H 3.913 . 5.827 4.126 4.074 4.188 . 0 0 "[ . 1 . 2 . 3]" 1
1526 1 111 ASN H 1 112 ASN HD21 4.630 . 7.309 5.105 4.167 5.434 . 0 0 "[ . 1 . 2 . 3]" 1
1527 1 58 ASP H 1 61 GLU HB2 4.253 . 6.514 4.510 4.263 4.666 . 0 0 "[ . 1 . 2 . 3]" 1
1528 1 22 LEU MD1 1 45 CYS HB3 2.557 . 3.375 2.572 2.466 2.708 . 0 0 "[ . 1 . 2 . 3]" 1
1529 1 31 LYS HA 1 36 GLU HB3 2.806 . 3.790 3.174 2.639 3.723 . 0 0 "[ . 1 . 2 . 3]" 1
1530 1 60 THR MG 1 61 GLU HA 2.798 . 3.777 3.027 2.933 3.104 . 0 0 "[ . 1 . 2 . 3]" 1
1531 1 112 ASN H 1 113 LEU HB2 4.794 . 7.667 4.500 4.414 4.638 . 0 0 "[ . 1 . 2 . 3]" 1
1532 1 60 THR H 1 61 GLU HG3 4.249 . 6.506 4.058 3.813 4.364 . 0 0 "[ . 1 . 2 . 3]" 1
1533 1 110 LYS QE 1 110 LYS HG3 2.919 . 3.984 2.664 2.351 3.492 . 0 0 "[ . 1 . 2 . 3]" 1
1534 1 11 LEU HG 1 12 GLN H 4.188 . 6.380 3.804 3.472 4.018 . 0 0 "[ . 1 . 2 . 3]" 1
1535 1 98 CYS HA 1 101 ALA H 4.192 . 6.388 3.969 3.792 4.128 . 0 0 "[ . 1 . 2 . 3]" 1
1536 1 87 LYS QD 1 87 LYS HG2 2.211 . 2.822 2.340 2.174 2.390 . 0 0 "[ . 1 . 2 . 3]" 1
1537 1 71 GLN HB3 1 72 LEU MD2 2.480 . 3.249 2.349 2.120 2.531 . 0 0 "[ . 1 . 2 . 3]" 1
1538 1 31 LYS H 1 32 PHE HB2 4.648 . 7.349 4.937 4.866 5.041 . 0 0 "[ . 1 . 2 . 3]" 1
1539 1 14 TYR QE 1 53 LYS QD 3.785 . 5.576 4.438 3.685 6.360 0.784 22 3 "[* -. 1 . 2 + . 3]" 1
1540 1 92 ASN QD 1 95 ASN H 4.211 . 6.427 3.645 2.676 4.073 . 0 0 "[ . 1 . 2 . 3]" 1
1541 1 87 LYS H 1 87 LYS QD 3.570 . 5.163 3.858 3.597 4.632 . 0 0 "[ . 1 . 2 . 3]" 1
1542 1 64 LEU HB2 1 66 ASP H 4.318 . 6.649 4.786 4.571 4.914 . 0 0 "[ . 1 . 2 . 3]" 1
1543 1 106 LYS H 1 109 GLN HG2 4.423 . 6.869 4.545 4.247 4.710 . 0 0 "[ . 1 . 2 . 3]" 1
1544 1 19 VAL MG2 1 24 ILE HG13 2.541 . 3.348 2.801 2.726 2.876 . 0 0 "[ . 1 . 2 . 3]" 1
1545 1 46 TYR HB3 1 48 LYS H 4.385 . 6.789 4.543 4.505 4.664 . 0 0 "[ . 1 . 2 . 3]" 1
1546 1 92 ASN HB2 1 100 TRP HE1 4.682 . 7.422 4.565 4.172 6.124 . 0 0 "[ . 1 . 2 . 3]" 1
1547 1 49 CYS HA 1 53 LYS H 4.392 . 6.804 4.205 4.094 4.329 . 0 0 "[ . 1 . 2 . 3]" 1
1548 1 110 LYS HB2 1 110 LYS HG3 2.622 . 3.481 2.491 2.282 2.994 . 0 0 "[ . 1 . 2 . 3]" 1
1549 1 8 THR HA 1 11 LEU MD2 2.313 . 2.982 2.392 2.289 3.155 0.173 20 0 "[ . 1 . 2 . 3]" 1
1550 1 97 ALA MB 1 101 ALA H 4.194 . 6.392 4.319 4.114 4.504 . 0 0 "[ . 1 . 2 . 3]" 1
1551 1 39 GLU HA 1 44 MET ME 2.780 . 3.746 2.894 2.612 3.088 . 0 0 "[ . 1 . 2 . 3]" 1
1552 1 44 MET ME 1 44 MET HG2 2.415 . 3.144 2.484 2.358 2.528 . 0 0 "[ . 1 . 2 . 3]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 41
_Distance_constraint_stats_list.Viol_count 23
_Distance_constraint_stats_list.Viol_total 148.083
_Distance_constraint_stats_list.Viol_max 0.480
_Distance_constraint_stats_list.Viol_rms 0.0349
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0040
_Distance_constraint_stats_list.Viol_average_violations_only 0.2146
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
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 10 ASP 0.099 0.055 28 0 "[ . 1 . 2 . 3]"
1 11 LEU 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 14 TYR 0.099 0.055 28 0 "[ . 1 . 2 . 3]"
1 15 ARG 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 18 CYS 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 19 VAL 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 25 PRO 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 28 TYR 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 29 VAL 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 31 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 32 PHE 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 36 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 38 PRO 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 40 ASP 4.837 0.480 8 0 "[ . 1 . 2 . 3]"
1 42 THR 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 43 THR 4.837 0.480 8 0 "[ . 1 . 2 . 3]"
1 44 MET 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 45 CYS 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 46 TYR 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 47 ILE 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 48 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 49 CYS 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 50 VAL 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 51 PHE 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 52 ASN 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 53 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 54 MET 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 55 GLN 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 56 LEU 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 57 PHE 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 58 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 62 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 64 LEU 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 65 VAL 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 67 ASN 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 68 LEU 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 69 VAL 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 71 GLN 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 72 LEU 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 73 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 81 VAL 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 82 ARG 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 85 VAL 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 86 LEU 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 90 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 96 ASN 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 97 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 98 CYS 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 100 TRP 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 101 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 102 PHE 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 103 ARG 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 104 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 105 PHE 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 106 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 107 CYS 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 108 PHE 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 109 GLN 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
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 10 ASP O 1 14 TYR H 2.200 . 2.700 2.327 2.031 2.755 0.055 28 0 "[ . 1 . 2 . 3]" 2
2 1 11 LEU O 1 15 ARG H 2.200 . 2.700 2.082 1.905 2.289 . 0 0 "[ . 1 . 2 . 3]" 2
3 1 14 TYR O 1 18 CYS H 2.200 . 2.700 2.062 1.920 2.226 . 0 0 "[ . 1 . 2 . 3]" 2
4 1 15 ARG O 1 19 VAL H 2.200 . 2.700 2.020 1.880 2.214 . 0 0 "[ . 1 . 2 . 3]" 2
5 1 25 PRO O 1 29 VAL H 2.200 . 2.700 2.382 2.192 2.551 . 0 0 "[ . 1 . 2 . 3]" 2
6 1 31 LYS O 1 36 GLU H 2.200 . 2.700 2.071 1.953 2.551 . 0 0 "[ . 1 . 2 . 3]" 2
7 1 38 PRO O 1 40 ASP H 2.200 . 3.000 2.259 2.108 2.403 . 0 0 "[ . 1 . 2 . 3]" 2
8 1 40 ASP OD1 1 43 THR H 2.700 . 3.200 3.250 2.250 3.680 0.480 8 0 "[ . 1 . 2 . 3]" 2
9 1 40 ASP O 1 44 MET H 2.200 . 2.700 2.179 1.980 2.371 . 0 0 "[ . 1 . 2 . 3]" 2
10 1 42 THR O 1 46 TYR H 2.200 . 2.700 2.223 2.089 2.323 . 0 0 "[ . 1 . 2 . 3]" 2
11 1 43 THR O 1 47 ILE H 2.200 . 2.700 2.040 1.908 2.147 . 0 0 "[ . 1 . 2 . 3]" 2
12 1 44 MET O 1 48 LYS H 2.200 . 2.700 2.204 2.052 2.497 . 0 0 "[ . 1 . 2 . 3]" 2
13 1 45 CYS O 1 49 CYS H 2.200 . 2.700 2.039 1.911 2.377 . 0 0 "[ . 1 . 2 . 3]" 2
14 1 46 TYR O 1 50 VAL H 2.200 . 2.700 2.082 1.989 2.218 . 0 0 "[ . 1 . 2 . 3]" 2
15 1 47 ILE O 1 51 PHE H 2.200 . 2.700 1.917 1.846 2.113 . 0 0 "[ . 1 . 2 . 3]" 2
16 1 48 LYS O 1 52 ASN H 2.200 . 2.700 2.136 2.008 2.236 . 0 0 "[ . 1 . 2 . 3]" 2
17 1 49 CYS O 1 53 LYS H 2.200 . 2.700 2.002 1.861 2.157 . 0 0 "[ . 1 . 2 . 3]" 2
18 1 50 VAL O 1 54 MET H 2.200 . 2.700 2.128 1.993 2.266 . 0 0 "[ . 1 . 2 . 3]" 2
19 1 52 ASN O 1 55 GLN H 2.200 . 2.700 2.206 2.074 2.376 . 0 0 "[ . 1 . 2 . 3]" 2
20 1 51 PHE O 1 56 LEU H 2.200 . 2.700 1.922 1.825 2.109 . 0 0 "[ . 1 . 2 . 3]" 2
21 1 51 PHE O 1 57 PHE H 2.200 . 2.700 2.237 2.146 2.334 . 0 0 "[ . 1 . 2 . 3]" 2
22 1 58 ASP H 1 62 GLY O 2.200 . 2.700 1.897 1.749 1.982 . 0 0 "[ . 1 . 2 . 3]" 2
23 1 58 ASP O 1 62 GLY H 2.200 . 2.700 2.106 1.989 2.236 . 0 0 "[ . 1 . 2 . 3]" 2
24 1 56 LEU O 1 64 LEU H 2.200 . 2.700 2.110 2.006 2.330 . 0 0 "[ . 1 . 2 . 3]" 2
25 1 64 LEU O 1 68 LEU H 2.200 . 2.700 1.940 1.875 2.014 . 0 0 "[ . 1 . 2 . 3]" 2
26 1 67 ASN O 1 71 GLN H 2.200 . 2.700 2.124 2.008 2.232 . 0 0 "[ . 1 . 2 . 3]" 2
27 1 68 LEU O 1 72 LEU H 2.200 . 2.700 1.857 1.781 1.941 . 0 0 "[ . 1 . 2 . 3]" 2
28 1 65 VAL O 1 69 VAL H 2.200 . 2.700 1.925 1.837 2.053 . 0 0 "[ . 1 . 2 . 3]" 2
29 1 69 VAL O 1 73 ALA H 2.200 . 2.700 2.060 1.938 2.189 . 0 0 "[ . 1 . 2 . 3]" 2
30 1 81 VAL O 1 85 VAL H 2.200 . 2.700 1.959 1.868 2.126 . 0 0 "[ . 1 . 2 . 3]" 2
31 1 82 ARG O 1 86 LEU H 2.200 . 2.700 2.005 1.881 2.238 . 0 0 "[ . 1 . 2 . 3]" 2
32 1 96 ASN O 1 100 TRP H 2.200 . 2.700 2.080 1.894 2.222 . 0 0 "[ . 1 . 2 . 3]" 2
33 1 90 ASP O 1 100 TRP HE1 2.200 . 2.700 2.033 1.788 2.305 . 0 0 "[ . 1 . 2 . 3]" 2
34 1 97 ALA O 1 101 ALA H 2.200 . 2.700 2.080 1.994 2.242 . 0 0 "[ . 1 . 2 . 3]" 2
35 1 98 CYS O 1 102 PHE H 2.200 . 2.700 2.330 2.177 2.555 . 0 0 "[ . 1 . 2 . 3]" 2
36 1 101 ALA O 1 105 PHE H 2.200 . 2.700 2.171 2.083 2.306 . 0 0 "[ . 1 . 2 . 3]" 2
37 1 102 PHE O 1 106 LYS H 2.200 . 2.700 1.920 1.832 2.013 . 0 0 "[ . 1 . 2 . 3]" 2
38 1 103 ARG O 1 107 CYS H 2.200 . 2.700 2.041 1.885 2.245 . 0 0 "[ . 1 . 2 . 3]" 2
39 1 104 GLY O 1 108 PHE H 2.200 . 2.700 2.301 2.228 2.410 . 0 0 "[ . 1 . 2 . 3]" 2
40 1 105 PHE O 1 109 GLN H 2.200 . 2.700 1.960 1.852 2.080 . 0 0 "[ . 1 . 2 . 3]" 2
41 1 28 TYR O 1 32 PHE H 2.200 . 2.700 2.014 1.824 2.162 . 0 0 "[ . 1 . 2 . 3]" 2
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