NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
600685 |
2nab   |
25934 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2nab
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 510
_Distance_constraint_stats_list.Viol_count 381
_Distance_constraint_stats_list.Viol_total 1067.781
_Distance_constraint_stats_list.Viol_max 1.820
_Distance_constraint_stats_list.Viol_rms 0.0647
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0093
_Distance_constraint_stats_list.Viol_average_violations_only 0.1868
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 5 VAL 0.050 0.031 7 0 "[ . 1 .]"
1 6 GLN 0.000 0.000 . 0 "[ . 1 .]"
1 7 THR 0.000 0.000 . 0 "[ . 1 .]"
1 8 SER 0.000 0.000 . 0 "[ . 1 .]"
1 9 GLN 0.000 0.000 . 0 "[ . 1 .]"
1 10 LYS 0.409 0.097 3 0 "[ . 1 .]"
1 11 SER 2.662 0.614 11 2 "[ - . 1+ .]"
1 12 TYR 10.114 0.614 11 2 "[ - . 1+ .]"
1 13 VAL 12.498 1.820 3 8 "[**+ . * 1- ***]"
1 14 CYS 2.789 0.333 9 0 "[ . 1 .]"
1 15 PRO 0.162 0.065 1 0 "[ . 1 .]"
1 16 ASN 0.000 0.000 . 0 "[ . 1 .]"
1 17 CYS 3.165 0.482 4 0 "[ . 1 .]"
1 18 GLY 2.653 0.333 9 0 "[ . 1 .]"
1 19 LYS 9.793 0.883 13 5 "[ .** - + *]"
1 20 ILE 13.765 1.820 3 8 "[**+ . * 1- ***]"
1 21 PHE 13.792 0.883 13 5 "[ .** - + *]"
1 22 ARG 0.463 0.463 6 0 "[ . 1 .]"
1 23 TRP 4.268 0.463 6 0 "[ . 1 .]"
1 24 ARG 0.030 0.030 3 0 "[ . 1 .]"
1 25 VAL 0.000 0.000 . 0 "[ . 1 .]"
1 26 ASN 5.786 0.251 11 0 "[ . 1 .]"
1 27 PHE 14.641 0.983 9 13 "[***-* **+*** **]"
1 28 ILE 2.095 0.187 6 0 "[ . 1 .]"
1 29 ARG 2.146 0.235 5 0 "[ . 1 .]"
1 30 HIS 16.924 0.983 9 13 "[***-* **+*** **]"
1 31 LEU 2.574 0.210 12 0 "[ . 1 .]"
1 32 ARG 0.000 0.000 . 0 "[ . 1 .]"
1 33 SER 2.930 0.428 2 0 "[ . 1 .]"
1 34 ARG 0.757 0.472 9 0 "[ . 1 .]"
1 35 ARG 0.073 0.073 14 0 "[ . 1 .]"
1 36 GLU 0.397 0.324 2 0 "[ . 1 .]"
1 37 GLN 1.510 0.380 12 0 "[ . 1 .]"
1 38 LYS 0.649 0.380 12 0 "[ . 1 .]"
1 39 PRO 0.000 0.000 . 0 "[ . 1 .]"
1 40 HIS 0.000 0.000 . 0 "[ . 1 .]"
1 41 LYS 0.000 0.000 . 0 "[ . 1 .]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 5 VAL H 1 5 VAL QG 3.117 . 4.331 2.234 1.872 2.803 0.031 7 0 "[ . 1 .]" 1
2 1 5 VAL H 1 6 GLN H 3.457 . 4.951 3.945 2.261 4.623 . 0 0 "[ . 1 .]" 1
3 1 5 VAL H 1 7 THR MG 3.791 . 5.588 4.672 3.382 5.448 . 0 0 "[ . 1 .]" 1
4 1 5 VAL HA 1 6 GLN H 2.681 . 3.579 2.520 2.093 3.575 . 0 0 "[ . 1 .]" 1
5 1 5 VAL QG 1 6 GLN H 3.569 . 5.161 2.847 2.181 3.702 . 0 0 "[ . 1 .]" 1
6 1 6 GLN H 1 6 GLN HB2 3.238 . 4.548 2.827 2.383 3.715 . 0 0 "[ . 1 .]" 1
7 1 6 GLN H 1 6 GLN HB3 3.571 . 5.165 2.936 2.516 3.642 . 0 0 "[ . 1 .]" 1
8 1 6 GLN H 1 6 GLN QG 3.692 . 5.396 3.452 2.104 4.308 . 0 0 "[ . 1 .]" 1
9 1 7 THR HA 1 7 THR MG 3.011 . 4.144 2.897 2.219 3.223 . 0 0 "[ . 1 .]" 1
10 1 8 SER H 1 8 SER HA 2.685 . 3.586 2.696 2.246 2.940 . 0 0 "[ . 1 .]" 1
11 1 8 SER H 1 8 SER HB3 3.165 . 4.417 3.278 2.570 4.083 . 0 0 "[ . 1 .]" 1
12 1 9 GLN H 1 9 GLN HA 2.462 . 3.219 2.836 2.261 2.943 . 0 0 "[ . 1 .]" 1
13 1 9 GLN H 1 9 GLN HG3 3.662 . 5.338 3.898 2.352 4.883 . 0 0 "[ . 1 .]" 1
14 1 10 LYS H 1 10 LYS QB 2.729 . 3.660 2.838 2.356 3.355 . 0 0 "[ . 1 .]" 1
15 1 10 LYS H 1 10 LYS HD3 4.341 . 6.697 4.341 2.707 5.493 . 0 0 "[ . 1 .]" 1
16 1 10 LYS H 1 10 LYS QG 3.281 . 4.626 2.584 1.925 4.178 0.011 8 0 "[ . 1 .]" 1
17 1 10 LYS H 1 11 SER H 3.441 . 4.921 3.548 2.090 4.553 . 0 0 "[ . 1 .]" 1
18 1 10 LYS H 1 11 SER HB3 4.276 . 6.561 5.673 4.399 6.476 . 0 0 "[ . 1 .]" 1
19 1 10 LYS H 1 12 TYR QE 4.528 . 7.091 5.297 3.903 6.551 . 0 0 "[ . 1 .]" 1
20 1 10 LYS HA 1 11 SER H 2.269 . 2.912 2.433 2.135 2.936 0.024 3 0 "[ . 1 .]" 1
21 1 10 LYS QB 1 11 SER H 2.866 . 3.893 3.674 2.694 3.990 0.097 3 0 "[ . 1 .]" 1
22 1 10 LYS QB 1 12 TYR QD 3.832 . 5.667 4.515 3.846 5.694 0.027 13 0 "[ . 1 .]" 1
23 1 10 LYS QB 1 12 TYR QE 3.447 . 4.933 3.931 2.333 4.999 0.066 8 0 "[ . 1 .]" 1
24 1 10 LYS QG 1 11 SER H 3.766 . 5.539 4.199 2.231 4.880 . 0 0 "[ . 1 .]" 1
25 1 10 LYS QG 1 12 TYR QD 4.501 . 7.034 5.402 4.309 6.169 . 0 0 "[ . 1 .]" 1
26 1 10 LYS QG 1 12 TYR QE 4.207 . 6.419 4.540 2.988 6.115 . 0 0 "[ . 1 .]" 1
27 1 11 SER H 1 11 SER HA 2.959 . 4.053 2.878 2.271 2.941 . 0 0 "[ . 1 .]" 1
28 1 11 SER H 1 11 SER HB2 3.190 . 4.462 3.035 2.536 4.032 . 0 0 "[ . 1 .]" 1
29 1 11 SER H 1 11 SER HB3 3.292 . 4.647 3.435 2.678 3.921 . 0 0 "[ . 1 .]" 1
30 1 11 SER H 1 12 TYR HA 2.369 . 6.000 4.688 4.315 5.284 . 0 0 "[ . 1 .]" 1
31 1 11 SER H 1 12 TYR HB3 4.253 . 6.514 6.088 5.086 7.128 0.614 11 2 "[ - . 1+ .]" 1
32 1 11 SER HA 1 12 TYR H 2.401 . 3.122 2.478 2.102 3.112 . 0 0 "[ . 1 .]" 1
33 1 11 SER HA 1 12 TYR QD 3.617 . 5.253 4.337 3.319 5.159 . 0 0 "[ . 1 .]" 1
34 1 11 SER HA 1 12 TYR QE 3.857 . 5.716 5.309 4.430 5.896 0.180 5 0 "[ . 1 .]" 1
35 1 11 SER HB2 1 12 TYR H 3.171 . 4.428 4.178 3.343 4.514 0.086 8 0 "[ . 1 .]" 1
36 1 11 SER HB2 1 12 TYR QD 4.923 . 7.953 5.647 4.454 6.084 . 0 0 "[ . 1 .]" 1
37 1 11 SER HB3 1 12 TYR H 3.410 . 4.863 4.093 2.994 4.552 . 0 0 "[ . 1 .]" 1
38 1 11 SER HB3 1 12 TYR QD 4.233 . 6.472 4.948 4.028 5.418 . 0 0 "[ . 1 .]" 1
39 1 12 TYR H 1 12 TYR HB2 3.895 . 5.791 2.647 2.505 2.807 . 0 0 "[ . 1 .]" 1
40 1 12 TYR H 1 12 TYR HB3 2.844 . 3.855 3.680 3.599 3.753 . 0 0 "[ . 1 .]" 1
41 1 12 TYR H 1 12 TYR QD 3.008 . 4.139 2.560 2.199 3.080 . 0 0 "[ . 1 .]" 1
42 1 12 TYR H 1 12 TYR QE 3.489 . 5.011 4.275 3.989 4.534 . 0 0 "[ . 1 .]" 1
43 1 12 TYR H 1 13 VAL H 3.876 . 5.754 4.331 4.166 4.493 . 0 0 "[ . 1 .]" 1
44 1 12 TYR H 1 13 VAL QG 3.894 . 5.790 4.169 3.895 4.496 . 0 0 "[ . 1 .]" 1
45 1 12 TYR H 1 20 ILE MD 3.574 . 5.170 4.074 2.700 5.452 0.282 7 0 "[ . 1 .]" 1
46 1 12 TYR H 1 20 ILE QG 3.920 . 5.841 4.517 3.143 6.120 0.279 13 0 "[ . 1 .]" 1
47 1 12 TYR H 1 21 PHE H 2.902 . 3.955 3.040 2.482 3.520 . 0 0 "[ . 1 .]" 1
48 1 12 TYR H 1 21 PHE HB3 3.945 . 5.890 5.027 4.532 5.712 . 0 0 "[ . 1 .]" 1
49 1 12 TYR H 1 27 PHE QD 4.759 . 7.590 5.341 4.880 5.738 . 0 0 "[ . 1 .]" 1
50 1 12 TYR HA 1 12 TYR QD 3.037 . 4.190 2.853 2.470 3.074 . 0 0 "[ . 1 .]" 1
51 1 12 TYR HA 1 12 TYR QE 3.580 . 5.182 4.750 4.554 4.855 . 0 0 "[ . 1 .]" 1
52 1 12 TYR HA 1 13 VAL H 2.234 . 2.858 2.158 2.128 2.195 . 0 0 "[ . 1 .]" 1
53 1 12 TYR HA 1 13 VAL QG 3.623 . 5.263 3.541 3.273 3.749 . 0 0 "[ . 1 .]" 1
54 1 12 TYR HA 1 21 PHE H 4.091 . 6.183 4.564 4.362 4.894 . 0 0 "[ . 1 .]" 1
55 1 12 TYR HA 1 27 PHE HZ 4.196 . 6.396 4.548 3.991 4.935 . 0 0 "[ . 1 .]" 1
56 1 12 TYR HB2 1 12 TYR QD 2.709 . 3.627 2.345 2.269 2.423 . 0 0 "[ . 1 .]" 1
57 1 12 TYR HB2 1 12 TYR QE 3.270 . 4.606 4.394 4.372 4.420 . 0 0 "[ . 1 .]" 1
58 1 12 TYR HB2 1 13 VAL H 3.629 . 5.275 4.215 4.064 4.279 . 0 0 "[ . 1 .]" 1
59 1 12 TYR HB2 1 27 PHE H 4.329 . 6.671 5.746 5.417 6.236 . 0 0 "[ . 1 .]" 1
60 1 12 TYR HB2 1 27 PHE QD 3.130 . 4.355 3.097 2.861 3.461 . 0 0 "[ . 1 .]" 1
61 1 12 TYR HB2 1 27 PHE QE 3.363 . 4.777 3.716 3.497 3.876 . 0 0 "[ . 1 .]" 1
62 1 12 TYR HB2 1 27 PHE HZ 3.395 . 4.836 4.754 4.421 5.082 0.246 11 0 "[ . 1 .]" 1
63 1 12 TYR HB3 1 12 TYR QD 2.644 . 3.518 2.463 2.364 2.609 . 0 0 "[ . 1 .]" 1
64 1 12 TYR HB3 1 12 TYR QE 3.142 . 4.376 4.431 4.398 4.476 0.100 8 0 "[ . 1 .]" 1
65 1 12 TYR HB3 1 21 PHE H 3.416 . 4.875 4.335 4.069 4.537 . 0 0 "[ . 1 .]" 1
66 1 12 TYR HB3 1 21 PHE QD 3.606 . 5.231 4.614 4.191 5.034 . 0 0 "[ . 1 .]" 1
67 1 12 TYR HB3 1 21 PHE QE 4.564 . 7.168 6.571 6.168 7.002 . 0 0 "[ . 1 .]" 1
68 1 12 TYR HB3 1 27 PHE QD 3.333 . 4.721 3.210 3.059 3.327 . 0 0 "[ . 1 .]" 1
69 1 12 TYR HB3 1 27 PHE QE 3.866 . 5.734 3.133 3.013 3.253 . 0 0 "[ . 1 .]" 1
70 1 12 TYR HB3 1 27 PHE HZ 4.145 . 6.293 3.499 3.288 3.699 . 0 0 "[ . 1 .]" 1
71 1 12 TYR QR 1 22 ARG QG 3.728 . 5.465 4.143 3.834 4.456 . 0 0 "[ . 1 .]" 1
72 1 12 TYR QD 1 13 VAL H 4.310 . 6.632 4.541 4.216 4.737 . 0 0 "[ . 1 .]" 1
73 1 12 TYR QD 1 13 VAL QG 4.283 . 6.576 5.264 5.099 5.377 . 0 0 "[ . 1 .]" 1
74 1 12 TYR QD 1 21 PHE H 4.106 . 6.213 3.849 3.731 3.984 . 0 0 "[ . 1 .]" 1
75 1 12 TYR QD 1 21 PHE HB2 4.021 . 6.042 3.161 2.936 3.604 . 0 0 "[ . 1 .]" 1
76 1 12 TYR QD 1 21 PHE HB3 3.553 . 5.131 3.515 3.072 3.981 . 0 0 "[ . 1 .]" 1
77 1 12 TYR QD 1 21 PHE QD 3.978 . 5.956 4.895 4.707 5.204 . 0 0 "[ . 1 .]" 1
78 1 12 TYR QD 1 22 ARG H 4.960 . 8.035 4.167 3.912 4.490 . 0 0 "[ . 1 .]" 1
79 1 12 TYR QD 1 22 ARG HA 3.740 . 5.488 3.266 2.828 3.690 . 0 0 "[ . 1 .]" 1
80 1 12 TYR QD 1 22 ARG HG3 3.772 . 5.551 4.106 3.264 4.949 . 0 0 "[ . 1 .]" 1
81 1 12 TYR QD 1 23 TRP H 4.229 . 6.465 3.723 3.287 4.425 . 0 0 "[ . 1 .]" 1
82 1 12 TYR QD 1 23 TRP HA 3.909 . 5.819 4.471 4.122 5.035 . 0 0 "[ . 1 .]" 1
83 1 12 TYR QD 1 24 ARG HA 3.451 . 4.939 4.016 3.632 4.498 . 0 0 "[ . 1 .]" 1
84 1 12 TYR QD 1 24 ARG QB 3.950 . 5.901 4.890 4.422 5.318 . 0 0 "[ . 1 .]" 1
85 1 12 TYR QD 1 24 ARG QD 4.234 . 6.475 4.854 3.111 5.967 . 0 0 "[ . 1 .]" 1
86 1 12 TYR QD 1 27 PHE HB2 3.710 . 5.430 3.701 3.037 4.531 . 0 0 "[ . 1 .]" 1
87 1 12 TYR QD 1 27 PHE HB3 3.800 . 5.605 4.441 4.052 5.001 . 0 0 "[ . 1 .]" 1
88 1 12 TYR QD 1 27 PHE QE 3.899 . 5.799 3.967 3.626 4.345 . 0 0 "[ . 1 .]" 1
89 1 12 TYR QD 1 27 PHE HZ 3.551 . 5.127 4.924 4.590 5.141 0.014 15 0 "[ . 1 .]" 1
90 1 12 TYR QE 1 13 VAL H 4.220 . 6.446 6.552 6.359 6.686 0.240 1 0 "[ . 1 .]" 1
91 1 12 TYR QE 1 21 PHE H 3.132 . 6.000 6.050 5.952 6.130 0.130 2 0 "[ . 1 .]" 1
92 1 12 TYR QE 1 21 PHE HB2 3.563 . 5.150 5.263 5.004 5.608 0.458 3 0 "[ . 1 .]" 1
93 1 12 TYR QE 1 21 PHE HB3 4.093 . 6.187 5.157 4.702 5.572 . 0 0 "[ . 1 .]" 1
94 1 12 TYR QE 1 22 ARG HA 3.945 . 5.890 3.629 3.139 3.961 . 0 0 "[ . 1 .]" 1
95 1 12 TYR QE 1 22 ARG HG2 3.691 . 5.394 3.304 2.457 4.146 . 0 0 "[ . 1 .]" 1
96 1 12 TYR QE 1 23 TRP H 4.144 . 6.290 4.137 3.703 4.966 . 0 0 "[ . 1 .]" 1
97 1 12 TYR QE 1 23 TRP HA 3.650 . 5.315 3.183 2.679 4.290 . 0 0 "[ . 1 .]" 1
98 1 12 TYR QE 1 23 TRP HB2 4.898 . 7.897 5.603 5.106 6.692 . 0 0 "[ . 1 .]" 1
99 1 12 TYR QE 1 24 ARG H 3.789 . 5.584 3.752 3.118 4.692 . 0 0 "[ . 1 .]" 1
100 1 12 TYR QE 1 24 ARG HA 3.390 . 4.826 3.888 3.431 4.856 0.030 3 0 "[ . 1 .]" 1
101 1 12 TYR QE 1 24 ARG QB 3.347 . 4.748 3.931 3.288 4.587 . 0 0 "[ . 1 .]" 1
102 1 12 TYR QE 1 24 ARG QD 3.614 . 5.247 3.610 2.146 5.008 . 0 0 "[ . 1 .]" 1
103 1 12 TYR QE 1 27 PHE HB2 3.924 . 5.849 5.037 4.606 5.799 . 0 0 "[ . 1 .]" 1
104 1 12 TYR QE 1 27 PHE HB3 4.172 . 6.348 5.283 4.882 5.990 . 0 0 "[ . 1 .]" 1
105 1 13 VAL H 1 13 VAL HB 2.587 . 3.424 2.660 2.595 2.720 . 0 0 "[ . 1 .]" 1
106 1 13 VAL H 1 13 VAL QG 3.043 . 3.699 2.427 2.284 2.557 . 0 0 "[ . 1 .]" 1
107 1 13 VAL H 1 14 CYS H 3.946 . 5.893 4.326 4.246 4.383 . 0 0 "[ . 1 .]" 1
108 1 13 VAL H 1 27 PHE QD 4.907 . 7.916 5.418 5.185 5.706 . 0 0 "[ . 1 .]" 1
109 1 13 VAL H 1 27 PHE QE 4.074 . 6.149 3.991 3.834 4.419 . 0 0 "[ . 1 .]" 1
110 1 13 VAL H 1 27 PHE HZ 4.011 . 6.022 3.952 3.490 4.696 . 0 0 "[ . 1 .]" 1
111 1 13 VAL HA 1 13 VAL QG 2.725 . 3.653 2.136 2.128 2.141 . 0 0 "[ . 1 .]" 1
112 1 13 VAL HA 1 14 CYS H 2.358 . 3.053 2.160 2.126 2.183 . 0 0 "[ . 1 .]" 1
113 1 13 VAL HB 1 14 CYS H 3.094 . 4.291 4.222 4.172 4.259 . 0 0 "[ . 1 .]" 1
114 1 13 VAL QG 1 14 CYS H 2.555 . 3.371 2.834 2.701 2.961 . 0 0 "[ . 1 .]" 1
115 1 13 VAL MG1 1 14 CYS H 2.913 . 3.974 2.604 2.225 2.947 . 0 0 "[ . 1 .]" 1
116 1 13 VAL QG 1 14 CYS HA 3.796 . 5.597 3.966 3.713 4.115 . 0 0 "[ . 1 .]" 1
117 1 13 VAL QG 1 18 GLY H 3.868 . 5.738 3.598 3.351 3.971 . 0 0 "[ . 1 .]" 1
118 1 13 VAL QG 1 18 GLY HA2 3.136 . 4.365 2.532 2.260 2.830 . 0 0 "[ . 1 .]" 1
119 1 13 VAL QG 1 18 GLY HA3 2.988 . 4.104 3.804 3.557 4.130 0.026 13 0 "[ . 1 .]" 1
120 1 13 VAL QG 1 20 ILE HB 2.346 . 3.034 3.365 2.234 4.854 1.820 3 8 "[**+ . * 1- ***]" 1
121 1 13 VAL QG 1 21 PHE H 2.956 . 4.048 4.117 3.867 4.504 0.456 3 0 "[ . 1 .]" 1
122 1 14 CYS H 1 14 CYS HA 2.950 . 4.038 2.865 2.838 2.887 . 0 0 "[ . 1 .]" 1
123 1 14 CYS H 1 14 CYS HB2 2.525 . 3.322 2.747 2.644 2.826 . 0 0 "[ . 1 .]" 1
124 1 14 CYS H 1 14 CYS HB3 2.683 . 3.583 2.401 2.361 2.497 . 0 0 "[ . 1 .]" 1
125 1 14 CYS H 1 15 PRO QD 4.173 . 6.349 4.246 4.163 4.308 . 0 0 "[ . 1 .]" 1
126 1 14 CYS H 1 18 GLY H 3.837 . 5.677 4.365 4.064 4.522 . 0 0 "[ . 1 .]" 1
127 1 14 CYS H 1 18 GLY HA2 4.407 . 6.835 4.546 4.212 4.732 . 0 0 "[ . 1 .]" 1
128 1 14 CYS H 1 19 LYS H 3.541 . 5.108 3.322 3.120 3.517 . 0 0 "[ . 1 .]" 1
129 1 14 CYS H 1 19 LYS HA 4.097 . 6.196 4.751 4.613 4.830 . 0 0 "[ . 1 .]" 1
130 1 14 CYS H 1 19 LYS HB2 4.009 . 6.018 4.680 4.319 4.923 . 0 0 "[ . 1 .]" 1
131 1 14 CYS H 1 19 LYS HB3 3.117 . 4.331 3.414 3.227 3.562 . 0 0 "[ . 1 .]" 1
132 1 14 CYS H 1 27 PHE QD 4.159 . 6.321 3.665 3.526 3.901 . 0 0 "[ . 1 .]" 1
133 1 14 CYS H 1 21 PHE QE 3.556 . 5.136 3.850 3.623 4.091 . 0 0 "[ . 1 .]" 1
134 1 14 CYS H 1 27 PHE QD 4.086 . 6.173 4.464 4.258 4.648 . 0 0 "[ . 1 .]" 1
135 1 14 CYS H 1 27 PHE QE 2.881 . 3.918 2.637 2.463 2.916 . 0 0 "[ . 1 .]" 1
136 1 14 CYS H 1 27 PHE HZ 3.736 . 5.480 4.288 4.110 4.598 . 0 0 "[ . 1 .]" 1
137 1 14 CYS HA 1 15 PRO QD 2.542 . 3.350 1.920 1.817 1.984 . 0 0 "[ . 1 .]" 1
138 1 14 CYS HA 1 15 PRO HD3 3.170 . 4.426 2.188 1.849 2.404 0.065 1 0 "[ . 1 .]" 1
139 1 14 CYS HA 1 16 ASN H 4.101 . 6.203 3.727 3.383 3.925 . 0 0 "[ . 1 .]" 1
140 1 14 CYS HA 1 27 PHE QD 3.927 . 5.855 5.172 4.753 5.402 . 0 0 "[ . 1 .]" 1
141 1 14 CYS HA 1 27 PHE QE 3.444 . 4.927 3.037 2.635 3.334 . 0 0 "[ . 1 .]" 1
142 1 14 CYS HA 1 27 PHE HZ 2.524 . 3.320 3.042 2.715 3.208 . 0 0 "[ . 1 .]" 1
143 1 14 CYS HA 1 30 HIS HD2 4.057 . 6.114 4.463 4.282 4.679 . 0 0 "[ . 1 .]" 1
144 1 14 CYS HB2 1 15 PRO QD 4.287 . 6.584 3.755 3.634 3.879 . 0 0 "[ . 1 .]" 1
145 1 14 CYS HB2 1 16 ASN H 4.636 . 7.323 4.547 4.192 4.839 . 0 0 "[ . 1 .]" 1
146 1 14 CYS HB2 1 17 CYS H 3.259 . 4.586 2.659 2.578 2.728 . 0 0 "[ . 1 .]" 1
147 1 14 CYS HB2 1 18 GLY H 3.386 . 4.819 4.988 4.732 5.152 0.333 9 0 "[ . 1 .]" 1
148 1 14 CYS HB2 1 19 LYS H 3.181 . 4.446 4.191 3.863 4.369 . 0 0 "[ . 1 .]" 1
149 1 14 CYS HB2 1 27 PHE HZ 3.342 . 4.738 4.158 3.929 4.299 . 0 0 "[ . 1 .]" 1
150 1 14 CYS HB2 1 30 HIS HD2 2.400 . 3.120 2.189 2.067 2.352 . 0 0 "[ . 1 .]" 1
151 1 14 CYS HB3 1 16 ASN H 3.895 . 5.792 4.026 3.830 4.244 . 0 0 "[ . 1 .]" 1
152 1 14 CYS HB3 1 17 CYS H 3.260 . 4.589 3.086 2.913 3.322 . 0 0 "[ . 1 .]" 1
153 1 14 CYS HB3 1 18 GLY H 3.242 . 4.556 3.383 3.158 3.548 . 0 0 "[ . 1 .]" 1
154 1 14 CYS HB3 1 19 LYS H 3.391 . 4.829 2.503 2.138 2.651 . 0 0 "[ . 1 .]" 1
155 1 14 CYS HB3 1 27 PHE QD 4.575 . 7.191 5.325 5.116 5.475 . 0 0 "[ . 1 .]" 1
156 1 14 CYS HB3 1 27 PHE HZ 4.149 . 6.301 5.404 5.278 5.443 . 0 0 "[ . 1 .]" 1
157 1 14 CYS HB3 1 30 HIS HD2 2.884 . 3.924 3.338 2.925 3.675 . 0 0 "[ . 1 .]" 1
158 1 15 PRO HA 1 15 PRO HB3 2.976 . 4.083 2.291 2.277 2.335 . 0 0 "[ . 1 .]" 1
159 1 15 PRO HA 1 15 PRO QD 3.408 . 4.860 3.380 3.296 3.441 . 0 0 "[ . 1 .]" 1
160 1 15 PRO HA 1 16 ASN H 4.118 . 6.237 3.436 3.332 3.492 . 0 0 "[ . 1 .]" 1
161 1 15 PRO HB2 1 16 ASN HD21 4.440 . 6.904 5.057 4.644 5.453 . 0 0 "[ . 1 .]" 1
162 1 15 PRO HB2 1 16 ASN H 3.756 . 5.520 2.802 2.348 3.111 . 0 0 "[ . 1 .]" 1
163 1 15 PRO HB3 1 16 ASN H 3.679 . 5.371 4.287 4.160 4.362 . 0 0 "[ . 1 .]" 1
164 1 15 PRO HB3 1 17 CYS H 4.612 . 7.271 6.089 5.909 6.274 . 0 0 "[ . 1 .]" 1
165 1 15 PRO QD 1 15 PRO HG2 2.632 . 3.498 2.219 2.183 2.255 . 0 0 "[ . 1 .]" 1
166 1 15 PRO QD 1 15 PRO HG3 2.559 . 3.377 2.203 2.181 2.240 . 0 0 "[ . 1 .]" 1
167 1 15 PRO QD 1 17 CYS H 4.720 . 7.505 4.399 4.290 4.451 . 0 0 "[ . 1 .]" 1
168 1 15 PRO QD 1 27 PHE QD 4.801 . 7.683 5.953 5.491 6.188 . 0 0 "[ . 1 .]" 1
169 1 15 PRO QD 1 27 PHE QE 3.419 . 4.880 4.169 3.694 4.445 . 0 0 "[ . 1 .]" 1
170 1 15 PRO QD 1 27 PHE HZ 3.113 . 4.325 3.461 2.812 3.785 . 0 0 "[ . 1 .]" 1
171 1 15 PRO QD 1 30 HIS HD2 4.376 . 6.769 5.434 5.260 5.630 . 0 0 "[ . 1 .]" 1
172 1 15 PRO QD 1 31 LEU QD 2.951 . 4.040 2.486 2.063 3.269 . 0 0 "[ . 1 .]" 1
173 1 15 PRO HD2 1 16 ASN HB2 4.150 . 6.303 4.528 4.241 4.864 . 0 0 "[ . 1 .]" 1
174 1 15 PRO HD2 1 16 ASN HB3 3.964 . 5.928 4.413 3.323 4.787 . 0 0 "[ . 1 .]" 1
175 1 15 PRO HD3 1 16 ASN H 3.147 . 4.385 3.885 3.680 3.979 . 0 0 "[ . 1 .]" 1
176 1 15 PRO HG3 1 16 ASN H 4.093 . 6.187 4.331 3.929 4.648 . 0 0 "[ . 1 .]" 1
177 1 15 PRO HG3 1 17 CYS H 4.488 . 7.006 6.401 6.153 6.583 . 0 0 "[ . 1 .]" 1
178 1 15 PRO HG3 1 31 LEU QD 3.762 . 5.531 4.301 3.883 4.840 . 0 0 "[ . 1 .]" 1
179 1 16 ASN H 1 16 ASN HB2 3.119 . 4.335 2.774 2.639 3.184 . 0 0 "[ . 1 .]" 1
180 1 16 ASN H 1 16 ASN HB3 2.935 . 4.012 2.442 2.077 2.624 . 0 0 "[ . 1 .]" 1
181 1 16 ASN H 1 17 CYS H 2.662 . 3.548 2.338 2.295 2.384 . 0 0 "[ . 1 .]" 1
182 1 16 ASN H 1 18 GLY H 3.969 . 5.938 3.620 3.442 3.695 . 0 0 "[ . 1 .]" 1
183 1 16 ASN HA 1 17 CYS H 3.599 . 5.218 3.513 3.466 3.556 . 0 0 "[ . 1 .]" 1
184 1 16 ASN HB2 1 17 CYS H 3.128 . 4.351 4.077 3.947 4.329 . 0 0 "[ . 1 .]" 1
185 1 16 ASN HB3 1 17 CYS H 3.643 . 5.302 2.914 2.687 3.244 . 0 0 "[ . 1 .]" 1
186 1 16 ASN QD 1 31 LEU QD 5.338 . 8.899 5.777 4.318 6.652 . 0 0 "[ . 1 .]" 1
187 1 17 CYS H 1 17 CYS HB3 3.481 . 4.995 3.754 3.684 3.822 . 0 0 "[ . 1 .]" 1
188 1 17 CYS H 1 18 GLY HA2 4.558 . 7.155 4.359 4.221 4.540 . 0 0 "[ . 1 .]" 1
189 1 17 CYS H 1 18 GLY HA3 4.770 . 7.614 4.785 4.660 4.934 . 0 0 "[ . 1 .]" 1
190 1 17 CYS H 1 19 LYS HB2 5.394 . 9.031 4.799 4.437 5.002 . 0 0 "[ . 1 .]" 1
191 1 17 CYS H 1 19 LYS HG2 4.341 . 6.696 6.906 6.685 7.178 0.482 4 0 "[ . 1 .]" 1
192 1 17 CYS HA 1 17 CYS HB2 2.742 . 3.682 3.016 3.009 3.022 . 0 0 "[ . 1 .]" 1
193 1 17 CYS HA 1 17 CYS HB3 2.873 . 3.905 2.402 2.367 2.420 . 0 0 "[ . 1 .]" 1
194 1 17 CYS HA 1 18 GLY H 3.526 . 5.080 3.425 3.402 3.438 . 0 0 "[ . 1 .]" 1
195 1 17 CYS HA 1 19 LYS H 4.686 . 7.431 4.324 4.133 4.489 . 0 0 "[ . 1 .]" 1
196 1 17 CYS HB2 1 19 LYS HG2 4.374 . 6.765 4.473 4.261 4.708 . 0 0 "[ . 1 .]" 1
197 1 17 CYS HB2 1 30 HIS HE1 3.893 . 5.787 3.662 3.272 3.899 . 0 0 "[ . 1 .]" 1
198 1 17 CYS HB3 1 18 GLY H 4.173 . 6.350 4.179 4.143 4.270 . 0 0 "[ . 1 .]" 1
199 1 17 CYS HB3 1 19 LYS H 3.843 . 5.689 3.594 3.300 3.908 . 0 0 "[ . 1 .]" 1
200 1 17 CYS HB3 1 30 HIS HE1 4.420 . 6.862 3.787 3.282 4.166 . 0 0 "[ . 1 .]" 1
201 1 18 GLY H 1 18 GLY HA2 2.584 . 3.418 2.312 2.308 2.320 . 0 0 "[ . 1 .]" 1
202 1 18 GLY H 1 18 GLY HA3 2.652 . 3.531 2.872 2.862 2.887 . 0 0 "[ . 1 .]" 1
203 1 18 GLY H 1 19 LYS H 2.833 . 3.837 2.446 2.383 2.494 . 0 0 "[ . 1 .]" 1
204 1 18 GLY HA2 1 19 LYS H 3.562 . 5.148 3.080 3.040 3.169 . 0 0 "[ . 1 .]" 1
205 1 18 GLY HA3 1 19 LYS H 3.603 . 5.226 3.377 3.314 3.406 . 0 0 "[ . 1 .]" 1
206 1 19 LYS H 1 19 LYS HA 2.857 . 3.877 2.875 2.823 2.895 . 0 0 "[ . 1 .]" 1
207 1 19 LYS H 1 19 LYS HB2 3.423 . 4.887 2.413 2.259 2.595 . 0 0 "[ . 1 .]" 1
208 1 19 LYS H 1 19 LYS HB3 2.532 . 3.333 2.656 2.493 2.878 . 0 0 "[ . 1 .]" 1
209 1 19 LYS H 1 19 LYS QD 4.077 . 6.155 4.036 3.766 4.207 . 0 0 "[ . 1 .]" 1
210 1 19 LYS H 1 19 LYS QG 3.570 . 5.163 4.046 3.994 4.072 . 0 0 "[ . 1 .]" 1
211 1 19 LYS H 1 20 ILE H 4.433 . 6.890 4.537 4.485 4.592 . 0 0 "[ . 1 .]" 1
212 1 19 LYS H 1 21 PHE QE 4.714 . 7.491 4.793 4.569 5.207 . 0 0 "[ . 1 .]" 1
213 1 19 LYS HA 1 19 LYS HB2 2.784 . 3.753 2.578 2.479 2.694 . 0 0 "[ . 1 .]" 1
214 1 19 LYS HA 1 19 LYS HB3 2.801 . 3.781 3.011 2.969 3.030 . 0 0 "[ . 1 .]" 1
215 1 19 LYS HA 1 19 LYS QD 3.446 . 4.930 2.143 2.021 2.299 . 0 0 "[ . 1 .]" 1
216 1 19 LYS HA 1 19 LYS QG 3.040 . 4.196 2.691 2.606 2.849 . 0 0 "[ . 1 .]" 1
217 1 19 LYS HA 1 19 LYS HG3 3.287 . 4.637 2.761 2.665 2.943 . 0 0 "[ . 1 .]" 1
218 1 19 LYS HA 1 20 ILE H 2.138 . 2.709 2.189 2.157 2.240 . 0 0 "[ . 1 .]" 1
219 1 19 LYS HA 1 21 PHE QD 3.905 . 5.811 5.356 5.237 5.448 . 0 0 "[ . 1 .]" 1
220 1 19 LYS HA 1 30 HIS HE1 4.991 . 8.105 6.531 6.337 6.715 . 0 0 "[ . 1 .]" 1
221 1 19 LYS HB2 1 20 ILE H 3.176 . 4.437 4.331 4.168 4.446 0.009 6 0 "[ . 1 .]" 1
222 1 19 LYS HB2 1 21 PHE QE 2.963 . 4.060 3.698 3.483 4.088 0.028 14 0 "[ . 1 .]" 1
223 1 19 LYS HB2 1 21 PHE HZ 3.538 . 5.102 4.910 4.618 5.331 0.229 14 0 "[ . 1 .]" 1
224 1 19 LYS HB2 1 30 HIS HE1 4.403 . 6.827 4.001 3.752 4.210 . 0 0 "[ . 1 .]" 1
225 1 19 LYS HB3 1 20 ILE H 3.203 . 4.486 3.991 3.721 4.192 . 0 0 "[ . 1 .]" 1
226 1 19 LYS HB3 1 21 PHE QE 3.412 . 4.867 2.268 2.041 2.805 . 0 0 "[ . 1 .]" 1
227 1 19 LYS HB3 1 21 PHE HZ 3.826 . 5.656 4.132 3.773 4.695 . 0 0 "[ . 1 .]" 1
228 1 19 LYS HB3 1 30 HIS HD2 3.307 . 4.674 3.575 3.013 3.955 . 0 0 "[ . 1 .]" 1
229 1 19 LYS QD 1 20 ILE H 3.528 . 5.084 3.205 2.897 3.360 . 0 0 "[ . 1 .]" 1
230 1 19 LYS QD 1 21 PHE QE 3.417 . 4.876 4.294 4.113 4.430 . 0 0 "[ . 1 .]" 1
231 1 19 LYS QD 1 21 PHE HZ 3.012 . 4.146 4.568 4.359 5.029 0.883 13 5 "[ .** - + *]" 1
232 1 19 LYS QD 1 30 HIS HE1 4.018 . 4.674 4.453 4.350 4.620 . 0 0 "[ . 1 .]" 1
233 1 19 LYS HE2 1 19 LYS HG3 3.543 . 5.112 3.179 2.442 3.759 . 0 0 "[ . 1 .]" 1
234 1 19 LYS HE2 1 21 PHE HZ 4.612 . 7.270 4.906 3.340 5.958 . 0 0 "[ . 1 .]" 1
235 1 19 LYS HE3 1 19 LYS HG2 3.593 . 5.207 3.030 2.442 3.777 . 0 0 "[ . 1 .]" 1
236 1 19 LYS HE3 1 30 HIS HE1 4.567 . 7.174 6.118 5.204 7.008 . 0 0 "[ . 1 .]" 1
237 1 19 LYS QG 1 21 PHE QE 3.742 . 5.493 2.401 2.145 2.603 . 0 0 "[ . 1 .]" 1
238 1 19 LYS QG 1 30 HIS HE1 4.335 . 6.684 3.994 3.630 4.213 . 0 0 "[ . 1 .]" 1
239 1 19 LYS HG2 1 20 ILE H 3.770 . 5.547 4.415 4.113 4.637 . 0 0 "[ . 1 .]" 1
240 1 20 ILE H 1 20 ILE HB 2.469 . 3.231 2.937 2.309 3.771 0.540 7 3 "[ . + 1- *]" 1
241 1 20 ILE H 1 20 ILE MD 3.265 . 4.598 4.105 3.774 4.547 . 0 0 "[ . 1 .]" 1
242 1 20 ILE H 1 20 ILE QG 3.517 . 5.063 3.284 2.063 4.208 . 0 0 "[ . 1 .]" 1
243 1 20 ILE H 1 20 ILE MG 3.258 . 4.585 2.738 1.924 3.837 0.007 6 0 "[ . 1 .]" 1
244 1 20 ILE H 1 21 PHE H 4.253 . 6.515 4.429 4.371 4.486 . 0 0 "[ . 1 .]" 1
245 1 20 ILE HA 1 21 PHE H 2.236 . 2.861 2.138 2.085 2.196 . 0 0 "[ . 1 .]" 1
246 1 20 ILE HA 1 21 PHE QD 3.151 . 4.392 3.555 3.290 3.899 . 0 0 "[ . 1 .]" 1
247 1 20 ILE HA 1 27 PHE QE 3.508 . 5.047 4.613 4.181 4.949 . 0 0 "[ . 1 .]" 1
248 1 20 ILE HB 1 21 PHE H 3.941 . 5.882 3.994 3.144 4.309 . 0 0 "[ . 1 .]" 1
249 1 20 ILE QG 1 21 PHE H 2.905 . 3.960 3.516 2.631 4.341 0.381 13 0 "[ . 1 .]" 1
250 1 20 ILE MG 1 21 PHE H 3.793 . 5.591 3.494 2.552 4.192 . 0 0 "[ . 1 .]" 1
251 1 21 PHE H 1 21 PHE HB2 3.844 . 5.691 2.526 2.494 2.556 . 0 0 "[ . 1 .]" 1
252 1 21 PHE H 1 21 PHE HB3 2.742 . 3.682 3.698 3.674 3.721 0.039 4 0 "[ . 1 .]" 1
253 1 21 PHE H 1 21 PHE QD 2.726 . 3.655 2.924 2.787 3.197 . 0 0 "[ . 1 .]" 1
254 1 21 PHE HA 1 22 ARG H 2.478 . 3.245 2.250 2.219 2.281 . 0 0 "[ . 1 .]" 1
255 1 21 PHE HB2 1 21 PHE QD 2.514 . 3.304 2.406 2.366 2.435 . 0 0 "[ . 1 .]" 1
256 1 21 PHE HB2 1 22 ARG H 3.209 . 4.496 3.958 3.921 4.006 . 0 0 "[ . 1 .]" 1
257 1 21 PHE HB2 1 23 TRP H 3.048 . 4.209 4.111 3.632 4.463 0.254 15 0 "[ . 1 .]" 1
258 1 21 PHE HB2 1 27 PHE QD 4.388 . 6.795 2.308 2.001 2.723 . 0 0 "[ . 1 .]" 1
259 1 21 PHE HB3 1 21 PHE QD 2.564 . 3.386 2.361 2.334 2.398 . 0 0 "[ . 1 .]" 1
260 1 21 PHE HB3 1 23 TRP H 4.580 . 7.202 2.665 2.409 2.994 . 0 0 "[ . 1 .]" 1
261 1 21 PHE HB3 1 27 PHE QD 3.103 . 4.306 3.566 3.265 3.991 . 0 0 "[ . 1 .]" 1
262 1 21 PHE QD 1 22 ARG H 4.188 . 6.380 3.621 3.318 3.797 . 0 0 "[ . 1 .]" 1
263 1 21 PHE QD 1 23 TRP H 4.213 . 6.431 3.881 3.579 4.090 . 0 0 "[ . 1 .]" 1
264 1 21 PHE QD 1 26 ASN HB2 2.748 . 3.692 3.285 2.650 3.662 . 0 0 "[ . 1 .]" 1
265 1 21 PHE QE 1 26 ASN HA 4.002 . 6.004 5.264 4.958 5.647 . 0 0 "[ . 1 .]" 1
266 1 21 PHE QE 1 27 PHE HB2 3.693 . 5.398 5.113 4.888 5.303 . 0 0 "[ . 1 .]" 1
267 1 21 PHE QE 1 27 PHE HB3 4.731 . 7.529 6.144 5.970 6.338 . 0 0 "[ . 1 .]" 1
268 1 21 PHE QE 1 30 HIS H 4.341 . 6.696 4.356 4.212 4.447 . 0 0 "[ . 1 .]" 1
269 1 21 PHE QE 1 30 HIS HE1 4.085 . 6.171 4.443 4.146 4.876 . 0 0 "[ . 1 .]" 1
270 1 21 PHE HZ 1 27 PHE HB2 4.427 . 6.877 6.404 6.144 6.665 . 0 0 "[ . 1 .]" 1
271 1 21 PHE HZ 1 27 PHE QD 4.614 . 7.276 5.006 4.811 5.246 . 0 0 "[ . 1 .]" 1
272 1 21 PHE HZ 1 30 HIS H 4.811 . 7.704 5.069 4.664 5.433 . 0 0 "[ . 1 .]" 1
273 1 21 PHE HZ 1 30 HIS HB2 3.916 . 5.833 2.643 2.293 3.031 . 0 0 "[ . 1 .]" 1
274 1 21 PHE HZ 1 30 HIS HB3 3.099 . 4.300 3.497 2.842 3.733 . 0 0 "[ . 1 .]" 1
275 1 21 PHE HZ 1 30 HIS HE1 3.817 . 5.638 4.469 4.106 4.986 . 0 0 "[ . 1 .]" 1
276 1 22 ARG H 1 22 ARG HB2 3.006 . 4.136 2.668 2.478 2.746 . 0 0 "[ . 1 .]" 1
277 1 22 ARG H 1 22 ARG HB3 2.824 . 3.821 2.615 2.520 2.726 . 0 0 "[ . 1 .]" 1
278 1 22 ARG H 1 22 ARG HD2 4.536 . 7.108 5.178 4.924 6.052 . 0 0 "[ . 1 .]" 1
279 1 22 ARG H 1 22 ARG QG 3.755 . 5.518 4.003 3.975 4.037 . 0 0 "[ . 1 .]" 1
280 1 22 ARG H 1 23 TRP H 2.703 . 3.616 2.111 2.035 2.188 . 0 0 "[ . 1 .]" 1
281 1 22 ARG H 1 23 TRP HD1 4.561 . 7.161 3.990 3.495 4.345 . 0 0 "[ . 1 .]" 1
282 1 22 ARG HA 1 23 TRP H 3.488 . 5.009 3.420 3.321 3.496 . 0 0 "[ . 1 .]" 1
283 1 22 ARG HB2 1 23 TRP H 3.784 . 5.573 4.007 3.822 4.159 . 0 0 "[ . 1 .]" 1
284 1 22 ARG HB2 1 23 TRP HD1 3.883 . 5.768 5.086 4.765 5.182 . 0 0 "[ . 1 .]" 1
285 1 22 ARG HB2 1 23 TRP HE1 4.646 . 7.344 5.019 4.584 5.362 . 0 0 "[ . 1 .]" 1
286 1 22 ARG HB3 1 23 TRP H 2.746 . 3.689 3.074 2.786 3.370 . 0 0 "[ . 1 .]" 1
287 1 22 ARG HB3 1 23 TRP HD1 2.900 . 3.952 3.593 3.343 3.770 . 0 0 "[ . 1 .]" 1
288 1 22 ARG HB3 1 23 TRP HE1 3.883 . 5.768 3.553 3.131 3.884 . 0 0 "[ . 1 .]" 1
289 1 22 ARG HD2 1 23 TRP HD1 4.315 . 6.643 5.984 4.966 7.106 0.463 6 0 "[ . 1 .]" 1
290 1 22 ARG HD2 1 23 TRP HE1 3.939 . 5.879 4.694 3.622 5.667 . 0 0 "[ . 1 .]" 1
291 1 22 ARG HD3 1 23 TRP HE1 3.986 . 5.972 4.120 3.013 5.508 . 0 0 "[ . 1 .]" 1
292 1 22 ARG QG 1 23 TRP H 3.946 . 5.893 4.140 3.894 4.364 . 0 0 "[ . 1 .]" 1
293 1 22 ARG QG 1 23 TRP HD1 3.758 . 5.523 5.188 4.897 5.479 . 0 0 "[ . 1 .]" 1
294 1 22 ARG QG 1 23 TRP HE1 3.687 . 5.387 4.774 4.471 5.309 . 0 0 "[ . 1 .]" 1
295 1 22 ARG QG 1 23 TRP HE3 4.037 . 6.074 4.533 4.173 5.191 . 0 0 "[ . 1 .]" 1
296 1 22 ARG QG 1 23 TRP HZ2 4.090 . 6.181 4.610 4.247 5.478 . 0 0 "[ . 1 .]" 1
297 1 22 ARG HG2 1 23 TRP HD1 3.964 . 5.928 5.455 5.117 5.811 . 0 0 "[ . 1 .]" 1
298 1 23 TRP H 1 23 TRP HA 2.852 . 3.869 2.945 2.935 2.952 . 0 0 "[ . 1 .]" 1
299 1 23 TRP H 1 23 TRP HB2 3.119 . 4.335 2.720 2.607 2.877 . 0 0 "[ . 1 .]" 1
300 1 23 TRP H 1 23 TRP HB3 3.245 . 4.561 3.776 3.705 3.851 . 0 0 "[ . 1 .]" 1
301 1 23 TRP H 1 23 TRP HD1 2.952 . 4.041 3.275 3.022 3.517 . 0 0 "[ . 1 .]" 1
302 1 23 TRP H 1 24 ARG H 4.822 . 7.728 4.451 4.337 4.507 . 0 0 "[ . 1 .]" 1
303 1 23 TRP H 1 26 ASN H 4.659 . 7.372 5.005 4.815 5.098 . 0 0 "[ . 1 .]" 1
304 1 23 TRP H 1 26 ASN HD21 4.952 . 8.017 3.746 3.381 4.051 . 0 0 "[ . 1 .]" 1
305 1 23 TRP H 1 26 ASN HD22 3.024 . 4.167 2.189 1.947 2.428 . 0 0 "[ . 1 .]" 1
306 1 23 TRP HA 1 23 TRP HD1 3.573 . 5.169 4.577 4.483 4.666 . 0 0 "[ . 1 .]" 1
307 1 23 TRP HA 1 23 TRP HE1 4.451 . 6.927 5.782 5.697 5.889 . 0 0 "[ . 1 .]" 1
308 1 23 TRP HA 1 23 TRP HE3 2.759 . 3.711 2.588 2.350 2.830 . 0 0 "[ . 1 .]" 1
309 1 23 TRP HA 1 23 TRP HH2 4.664 . 7.383 6.325 6.144 6.485 . 0 0 "[ . 1 .]" 1
310 1 23 TRP HA 1 23 TRP HZ3 4.776 . 7.628 4.816 4.596 5.033 . 0 0 "[ . 1 .]" 1
311 1 23 TRP HA 1 24 ARG H 2.622 . 3.481 2.231 2.173 2.295 . 0 0 "[ . 1 .]" 1
312 1 23 TRP HA 1 25 VAL H 4.266 . 6.541 4.134 3.887 4.402 . 0 0 "[ . 1 .]" 1
313 1 23 TRP HA 1 26 ASN H 4.299 . 6.609 5.196 4.968 5.362 . 0 0 "[ . 1 .]" 1
314 1 23 TRP HA 1 26 ASN HD22 4.599 . 7.243 4.277 4.059 4.507 . 0 0 "[ . 1 .]" 1
315 1 23 TRP HB2 1 23 TRP HD1 2.981 . 4.092 2.558 2.539 2.589 . 0 0 "[ . 1 .]" 1
316 1 23 TRP HB2 1 23 TRP HE3 3.526 . 5.080 4.204 4.179 4.227 . 0 0 "[ . 1 .]" 1
317 1 23 TRP HB2 1 26 ASN H 2.807 . 3.792 2.999 2.914 3.127 . 0 0 "[ . 1 .]" 1
318 1 23 TRP HB2 1 26 ASN HD21 2.959 . 4.053 3.631 3.446 3.851 . 0 0 "[ . 1 .]" 1
319 1 23 TRP HB3 1 23 TRP HD1 3.143 . 4.378 3.687 3.633 3.745 . 0 0 "[ . 1 .]" 1
320 1 23 TRP HB3 1 23 TRP HE3 3.153 . 4.396 2.815 2.710 2.910 . 0 0 "[ . 1 .]" 1
321 1 23 TRP HB3 1 24 ARG H 3.837 . 5.677 2.896 2.704 3.204 . 0 0 "[ . 1 .]" 1
322 1 23 TRP HB3 1 25 VAL H 3.538 . 5.102 3.072 2.930 3.318 . 0 0 "[ . 1 .]" 1
323 1 23 TRP HB3 1 26 ASN H 3.232 . 4.537 3.696 3.357 4.040 . 0 0 "[ . 1 .]" 1
324 1 23 TRP HB3 1 26 ASN HD21 3.691 . 5.394 5.168 4.840 5.407 0.013 15 0 "[ . 1 .]" 1
325 1 23 TRP HB3 1 26 ASN HD22 3.947 . 5.894 4.008 3.785 4.192 . 0 0 "[ . 1 .]" 1
326 1 23 TRP HD1 1 24 ARG H 4.734 . 7.536 6.072 5.976 6.179 . 0 0 "[ . 1 .]" 1
327 1 23 TRP HD1 1 25 VAL MG2 3.861 . 5.724 4.609 4.349 4.939 . 0 0 "[ . 1 .]" 1
328 1 23 TRP HD1 1 26 ASN HB3 3.374 . 4.797 4.884 4.803 4.933 0.136 10 0 "[ . 1 .]" 1
329 1 23 TRP HD1 1 26 ASN HD21 3.329 . 4.714 4.706 4.197 4.965 0.251 11 0 "[ . 1 .]" 1
330 1 23 TRP HE1 1 25 VAL MG2 4.268 . 6.545 6.136 5.929 6.446 . 0 0 "[ . 1 .]" 1
331 1 23 TRP HE3 1 24 ARG H 4.108 . 6.218 3.769 3.453 4.189 . 0 0 "[ . 1 .]" 1
332 1 23 TRP HE3 1 25 VAL MG2 4.133 . 6.269 4.591 3.990 5.024 . 0 0 "[ . 1 .]" 1
333 1 23 TRP HE3 1 26 ASN HD22 4.230 . 6.466 6.168 5.934 6.482 0.016 2 0 "[ . 1 .]" 1
334 1 24 ARG H 1 24 ARG QB 2.827 . 3.826 2.304 2.179 2.453 . 0 0 "[ . 1 .]" 1
335 1 24 ARG H 1 24 ARG QD 4.492 . 7.014 4.391 4.172 4.746 . 0 0 "[ . 1 .]" 1
336 1 24 ARG H 1 25 VAL H 2.997 . 4.120 2.558 2.519 2.614 . 0 0 "[ . 1 .]" 1
337 1 24 ARG H 1 27 PHE HB3 4.522 . 7.078 4.977 4.704 5.264 . 0 0 "[ . 1 .]" 1
338 1 24 ARG HA 1 25 VAL H 3.761 . 5.529 3.520 3.484 3.551 . 0 0 "[ . 1 .]" 1
339 1 24 ARG QB 1 25 VAL H 3.085 . 4.275 2.756 2.545 2.895 . 0 0 "[ . 1 .]" 1
340 1 24 ARG QD 1 28 ILE MD 3.477 . 4.989 3.983 2.395 4.968 . 0 0 "[ . 1 .]" 1
341 1 24 ARG QG 1 25 VAL H 4.208 . 6.421 3.984 3.551 4.401 . 0 0 "[ . 1 .]" 1
342 1 24 ARG QG 1 27 PHE QD 3.561 . 5.146 4.037 3.124 4.937 . 0 0 "[ . 1 .]" 1
343 1 24 ARG QG 1 28 ILE H 4.633 . 7.316 4.659 3.634 5.811 . 0 0 "[ . 1 .]" 1
344 1 25 VAL H 1 25 VAL HA 2.623 . 3.483 2.815 2.801 2.832 . 0 0 "[ . 1 .]" 1
345 1 25 VAL H 1 25 VAL HB 2.609 . 6.000 3.629 3.612 3.651 . 0 0 "[ . 1 .]" 1
346 1 25 VAL H 1 25 VAL MG1 2.661 . 3.546 2.351 2.281 2.410 . 0 0 "[ . 1 .]" 1
347 1 25 VAL H 1 25 VAL MG2 2.652 . 3.531 1.910 1.865 1.992 . 0 0 "[ . 1 .]" 1
348 1 25 VAL H 1 26 ASN H 2.866 . 3.893 2.781 2.692 2.838 . 0 0 "[ . 1 .]" 1
349 1 25 VAL H 1 26 ASN HA 4.092 . 6.185 5.351 5.277 5.408 . 0 0 "[ . 1 .]" 1
350 1 25 VAL H 1 26 ASN HB2 4.243 . 6.493 6.298 6.256 6.328 . 0 0 "[ . 1 .]" 1
351 1 25 VAL H 1 27 PHE H 3.277 . 4.619 3.850 3.699 3.936 . 0 0 "[ . 1 .]" 1
352 1 25 VAL H 1 28 ILE MD 4.412 . 6.845 6.084 5.843 6.249 . 0 0 "[ . 1 .]" 1
353 1 25 VAL H 1 29 ARG H 4.128 . 6.258 6.087 5.972 6.201 . 0 0 "[ . 1 .]" 1
354 1 25 VAL HA 1 26 ASN H 3.479 . 4.992 3.560 3.546 3.571 . 0 0 "[ . 1 .]" 1
355 1 25 VAL HA 1 28 ILE H 3.351 . 4.755 3.720 3.610 3.869 . 0 0 "[ . 1 .]" 1
356 1 25 VAL HA 1 28 ILE MD 3.596 . 6.000 5.105 4.750 5.240 . 0 0 "[ . 1 .]" 1
357 1 25 VAL HA 1 29 ARG H 3.658 . 5.331 4.345 4.140 4.557 . 0 0 "[ . 1 .]" 1
358 1 25 VAL HB 1 26 ASN H 3.307 . 4.674 3.463 3.390 3.611 . 0 0 "[ . 1 .]" 1
359 1 25 VAL MG1 1 26 ASN H 3.144 . 4.380 3.963 3.938 3.987 . 0 0 "[ . 1 .]" 1
360 1 25 VAL MG1 1 28 ILE H 4.377 . 6.772 5.342 5.238 5.446 . 0 0 "[ . 1 .]" 1
361 1 25 VAL MG2 1 26 ASN H 2.745 . 3.687 1.865 1.809 1.995 . 0 0 "[ . 1 .]" 1
362 1 25 VAL MG2 1 26 ASN HD22 3.932 . 5.865 4.359 4.139 4.653 . 0 0 "[ . 1 .]" 1
363 1 26 ASN H 1 26 ASN HA 2.793 . 3.768 2.851 2.830 2.865 . 0 0 "[ . 1 .]" 1
364 1 26 ASN H 1 26 ASN HB2 3.450 . 4.937 3.578 3.524 3.639 . 0 0 "[ . 1 .]" 1
365 1 26 ASN H 1 26 ASN HB3 2.628 . 3.491 2.910 2.793 3.027 . 0 0 "[ . 1 .]" 1
366 1 26 ASN H 1 26 ASN HD21 3.444 . 4.927 3.223 2.845 3.468 . 0 0 "[ . 1 .]" 1
367 1 26 ASN H 1 27 PHE H 2.426 . 3.161 2.486 2.418 2.539 . 0 0 "[ . 1 .]" 1
368 1 26 ASN H 1 27 PHE HA 4.389 . 6.797 5.123 5.060 5.177 . 0 0 "[ . 1 .]" 1
369 1 26 ASN H 1 27 PHE HB2 4.308 . 6.628 4.818 4.730 4.929 . 0 0 "[ . 1 .]" 1
370 1 26 ASN H 1 27 PHE HB3 4.918 . 7.941 4.742 4.680 4.815 . 0 0 "[ . 1 .]" 1
371 1 26 ASN H 1 28 ILE H 4.195 . 6.395 4.348 4.264 4.400 . 0 0 "[ . 1 .]" 1
372 1 26 ASN H 1 28 ILE MG 4.663 . 7.382 6.716 6.601 6.810 . 0 0 "[ . 1 .]" 1
373 1 26 ASN H 1 29 ARG HB2 4.135 . 6.272 5.114 4.937 5.278 . 0 0 "[ . 1 .]" 1
374 1 26 ASN HA 1 29 ARG H 3.294 . 4.651 3.248 3.127 3.367 . 0 0 "[ . 1 .]" 1
375 1 26 ASN HA 1 29 ARG QD 3.356 . 4.764 3.479 2.936 4.752 . 0 0 "[ . 1 .]" 1
376 1 26 ASN HA 1 30 HIS H 3.924 . 5.849 4.036 3.862 4.190 . 0 0 "[ . 1 .]" 1
377 1 26 ASN HB2 1 26 ASN HD21 2.744 . 3.685 2.565 2.354 2.837 . 0 0 "[ . 1 .]" 1
378 1 26 ASN HB3 1 26 ASN HD21 2.848 . 3.862 3.532 3.513 3.556 . 0 0 "[ . 1 .]" 1
379 1 26 ASN HB3 1 27 PHE H 3.016 . 4.153 4.222 4.187 4.284 0.131 14 0 "[ . 1 .]" 1
380 1 26 ASN HD21 1 27 PHE H 1.806 . 2.214 2.186 1.804 2.441 0.227 3 0 "[ . 1 .]" 1
381 1 27 PHE H 1 27 PHE HA 2.671 . 3.563 2.823 2.795 2.859 . 0 0 "[ . 1 .]" 1
382 1 27 PHE H 1 27 PHE HB3 2.524 . 3.320 2.542 2.469 2.594 . 0 0 "[ . 1 .]" 1
383 1 27 PHE H 1 27 PHE QD 3.130 . 4.355 4.175 4.156 4.192 . 0 0 "[ . 1 .]" 1
384 1 27 PHE H 1 28 ILE H 2.651 . 3.530 2.738 2.588 2.845 . 0 0 "[ . 1 .]" 1
385 1 27 PHE H 1 29 ARG HB2 3.672 . 5.358 5.311 5.251 5.372 0.014 2 0 "[ . 1 .]" 1
386 1 27 PHE H 1 29 ARG HB3 3.577 . 5.176 4.897 4.732 5.122 . 0 0 "[ . 1 .]" 1
387 1 27 PHE HA 1 27 PHE QD 2.693 . 3.600 2.431 2.280 2.533 . 0 0 "[ . 1 .]" 1
388 1 27 PHE HA 1 27 PHE HZ 3.925 . 6.000 5.964 5.936 6.003 0.003 13 0 "[ . 1 .]" 1
389 1 27 PHE HA 1 28 ILE H 3.453 . 4.943 3.563 3.551 3.571 . 0 0 "[ . 1 .]" 1
390 1 27 PHE HA 1 30 HIS H 2.801 . 3.782 2.292 2.247 2.334 . 0 0 "[ . 1 .]" 1
391 1 27 PHE HB2 1 27 PHE QD 2.666 . 3.554 2.564 2.531 2.607 . 0 0 "[ . 1 .]" 1
392 1 27 PHE HB2 1 28 ILE H 3.470 . 4.975 3.754 3.742 3.770 . 0 0 "[ . 1 .]" 1
393 1 27 PHE HB3 1 27 PHE QD 2.808 . 3.793 2.276 2.244 2.290 . 0 0 "[ . 1 .]" 1
394 1 27 PHE HB3 1 28 ILE H 3.188 . 4.458 2.370 2.349 2.396 . 0 0 "[ . 1 .]" 1
395 1 27 PHE QD 1 28 ILE H 3.690 . 5.392 3.475 3.349 3.610 . 0 0 "[ . 1 .]" 1
396 1 27 PHE QD 1 28 ILE HA 3.708 . 5.426 3.755 3.592 3.932 . 0 0 "[ . 1 .]" 1
397 1 27 PHE QD 1 28 ILE HB 4.421 . 6.864 5.197 5.115 5.323 . 0 0 "[ . 1 .]" 1
398 1 27 PHE QD 1 28 ILE MD 3.273 . 4.612 2.361 2.123 2.519 . 0 0 "[ . 1 .]" 1
399 1 27 PHE QD 1 28 ILE HG13 3.493 . 5.018 4.625 4.521 4.720 . 0 0 "[ . 1 .]" 1
400 1 27 PHE QD 1 30 HIS HA 4.797 . 7.673 6.755 6.576 6.889 . 0 0 "[ . 1 .]" 1
401 1 27 PHE QD 1 30 HIS HB2 3.539 . 5.104 5.184 4.868 5.514 0.410 9 0 "[ . 1 .]" 1
402 1 27 PHE QD 1 30 HIS HD2 3.034 . 4.185 3.763 3.458 3.950 . 0 0 "[ . 1 .]" 1
403 1 27 PHE QD 1 31 LEU QD 3.249 . 4.568 3.096 3.037 3.178 . 0 0 "[ . 1 .]" 1
404 1 27 PHE QD 1 31 LEU HG 3.673 . 5.360 4.314 3.802 4.781 . 0 0 "[ . 1 .]" 1
405 1 27 PHE QE 1 28 ILE MD 3.516 . 5.061 3.355 3.267 3.460 . 0 0 "[ . 1 .]" 1
406 1 27 PHE QE 1 31 LEU HB2 4.043 . 6.087 4.855 4.560 5.039 . 0 0 "[ . 1 .]" 1
407 1 27 PHE QE 1 31 LEU HB3 4.236 . 6.479 5.505 5.173 5.709 . 0 0 "[ . 1 .]" 1
408 1 27 PHE QE 1 31 LEU QD 3.011 . 4.076 2.645 2.532 2.745 . 0 0 "[ . 1 .]" 1
409 1 27 PHE QE 1 31 LEU HG 3.648 . 5.312 3.428 2.983 3.776 . 0 0 "[ . 1 .]" 1
410 1 27 PHE HZ 1 28 ILE MD 3.577 . 5.176 5.184 5.069 5.218 0.042 1 0 "[ . 1 .]" 1
411 1 27 PHE HZ 1 30 HIS HD2 3.340 . 4.734 5.346 5.027 5.717 0.983 9 13 "[***-* **+*** **]" 1
412 1 27 PHE HZ 1 31 LEU QD 2.853 . 3.805 2.746 2.506 2.880 . 0 0 "[ . 1 .]" 1
413 1 27 PHE HZ 1 31 LEU HG 3.679 . 5.371 3.739 3.383 4.036 . 0 0 "[ . 1 .]" 1
414 1 28 ILE H 1 28 ILE HA 2.818 . 3.811 2.815 2.797 2.827 . 0 0 "[ . 1 .]" 1
415 1 28 ILE H 1 28 ILE HB 2.494 . 3.271 2.551 2.515 2.620 . 0 0 "[ . 1 .]" 1
416 1 28 ILE H 1 28 ILE MD 3.935 . 5.870 3.072 2.859 3.210 . 0 0 "[ . 1 .]" 1
417 1 28 ILE H 1 28 ILE HG12 3.685 . 5.382 2.121 2.024 2.195 . 0 0 "[ . 1 .]" 1
418 1 28 ILE H 1 28 ILE HG13 2.634 . 3.501 3.625 3.574 3.688 0.187 6 0 "[ . 1 .]" 1
419 1 28 ILE H 1 28 ILE MG 3.573 . 5.169 3.772 3.767 3.780 . 0 0 "[ . 1 .]" 1
420 1 28 ILE H 1 29 ARG H 2.819 . 3.812 2.618 2.579 2.677 . 0 0 "[ . 1 .]" 1
421 1 28 ILE H 1 29 ARG HA 4.791 . 7.661 5.244 5.211 5.293 . 0 0 "[ . 1 .]" 1
422 1 28 ILE H 1 30 HIS H 3.914 . 5.829 4.189 4.123 4.272 . 0 0 "[ . 1 .]" 1
423 1 28 ILE H 1 31 LEU QD 4.660 . 7.375 4.507 4.398 4.724 . 0 0 "[ . 1 .]" 1
424 1 28 ILE HA 1 28 ILE MD 2.680 . 3.578 2.004 1.966 2.034 . 0 0 "[ . 1 .]" 1
425 1 28 ILE HA 1 28 ILE MG 2.547 . 3.358 2.413 2.375 2.439 . 0 0 "[ . 1 .]" 1
426 1 28 ILE HA 1 31 LEU QD 2.930 . 4.003 3.424 3.285 3.728 . 0 0 "[ . 1 .]" 1
427 1 28 ILE HA 1 31 LEU HG 3.278 . 4.621 3.927 3.487 4.452 . 0 0 "[ . 1 .]" 1
428 1 28 ILE MD 1 29 ARG H 4.787 . 7.651 4.586 4.489 4.637 . 0 0 "[ . 1 .]" 1
429 1 28 ILE HG13 1 29 ARG H 4.468 . 6.963 5.054 4.884 5.124 . 0 0 "[ . 1 .]" 1
430 1 28 ILE MG 1 29 ARG H 3.500 . 5.032 3.571 3.514 3.638 . 0 0 "[ . 1 .]" 1
431 1 28 ILE MG 1 29 ARG HA 3.261 . 4.590 3.640 3.564 3.710 . 0 0 "[ . 1 .]" 1
432 1 28 ILE MG 1 30 HIS H 4.367 . 6.751 5.098 5.028 5.211 . 0 0 "[ . 1 .]" 1
433 1 29 ARG H 1 29 ARG HA 2.746 . 3.688 2.806 2.793 2.827 . 0 0 "[ . 1 .]" 1
434 1 29 ARG H 1 29 ARG HB2 2.501 . 3.283 2.397 2.316 2.514 . 0 0 "[ . 1 .]" 1
435 1 29 ARG H 1 29 ARG HB3 2.504 . 3.287 2.604 2.497 2.702 . 0 0 "[ . 1 .]" 1
436 1 29 ARG H 1 29 ARG HG2 3.941 . 5.882 4.503 4.452 4.592 . 0 0 "[ . 1 .]" 1
437 1 29 ARG HA 1 29 ARG HB2 2.706 . 3.621 2.515 2.458 2.568 . 0 0 "[ . 1 .]" 1
438 1 29 ARG HA 1 29 ARG HB3 2.767 . 3.724 3.021 3.011 3.026 . 0 0 "[ . 1 .]" 1
439 1 29 ARG HA 1 30 HIS H 3.335 . 4.726 3.532 3.519 3.552 . 0 0 "[ . 1 .]" 1
440 1 29 ARG HA 1 32 ARG H 3.546 . 5.118 3.499 3.318 3.813 . 0 0 "[ . 1 .]" 1
441 1 29 ARG HA 1 32 ARG QD 3.541 . 5.108 3.792 2.715 5.032 . 0 0 "[ . 1 .]" 1
442 1 29 ARG HB2 1 30 HIS H 2.678 . 3.575 3.717 3.615 3.810 0.235 5 0 "[ . 1 .]" 1
443 1 30 HIS H 1 30 HIS HA 2.898 . 3.948 2.828 2.804 2.852 . 0 0 "[ . 1 .]" 1
444 1 30 HIS H 1 30 HIS HB2 2.520 . 3.314 2.665 2.593 2.830 . 0 0 "[ . 1 .]" 1
445 1 30 HIS H 1 31 LEU H 2.823 . 3.819 2.619 2.555 2.717 . 0 0 "[ . 1 .]" 1
446 1 30 HIS H 1 31 LEU HA 5.003 . 8.132 5.237 5.136 5.314 . 0 0 "[ . 1 .]" 1
447 1 30 HIS HA 1 30 HIS HB3 2.859 . 3.881 3.017 3.010 3.021 . 0 0 "[ . 1 .]" 1
448 1 30 HIS HA 1 30 HIS HD2 4.072 . 6.144 4.723 4.631 4.819 . 0 0 "[ . 1 .]" 1
449 1 30 HIS HA 1 30 HIS HE1 4.315 . 6.643 5.126 5.027 5.258 . 0 0 "[ . 1 .]" 1
450 1 30 HIS HA 1 32 ARG H 3.975 . 5.950 4.229 3.809 4.530 . 0 0 "[ . 1 .]" 1
451 1 30 HIS HB2 1 30 HIS HD2 2.609 . 3.460 3.693 3.601 3.785 0.325 8 0 "[ . 1 .]" 1
452 1 30 HIS HB2 1 31 LEU H 3.058 . 4.227 4.025 3.878 4.230 0.003 9 0 "[ . 1 .]" 1
453 1 30 HIS HB3 1 30 HIS HD2 3.108 . 4.316 2.648 2.625 2.684 . 0 0 "[ . 1 .]" 1
454 1 30 HIS HB3 1 31 LEU H 4.333 . 6.679 2.742 2.520 3.055 . 0 0 "[ . 1 .]" 1
455 1 30 HIS HD2 1 31 LEU H 3.576 . 5.174 4.101 3.822 4.298 . 0 0 "[ . 1 .]" 1
456 1 30 HIS HD2 1 31 LEU HA 3.195 . 4.471 4.257 3.826 4.552 0.081 14 0 "[ . 1 .]" 1
457 1 30 HIS HD2 1 31 LEU QD . . 3.511 2.250 2.076 2.709 . 0 0 "[ . 1 .]" 1
458 1 30 HIS HE1 1 31 LEU HA 4.323 . 6.659 6.274 6.022 6.462 . 0 0 "[ . 1 .]" 1
459 1 31 LEU H 1 31 LEU HB2 3.037 . 4.190 2.196 2.132 2.273 . 0 0 "[ . 1 .]" 1
460 1 31 LEU H 1 31 LEU HB3 3.326 . 4.709 3.491 3.414 3.547 . 0 0 "[ . 1 .]" 1
461 1 31 LEU H 1 31 LEU QD 4.555 . 5.319 2.413 2.235 2.652 . 0 0 "[ . 1 .]" 1
462 1 31 LEU H 1 31 LEU HG 2.888 . 3.930 4.031 3.940 4.140 0.210 12 0 "[ . 1 .]" 1
463 1 31 LEU HA 1 31 LEU HB3 2.894 . 3.941 2.670 2.610 2.761 . 0 0 "[ . 1 .]" 1
464 1 31 LEU HA 1 31 LEU QD . . 3.064 1.888 1.795 1.926 0.150 9 0 "[ . 1 .]" 1
465 1 31 LEU HA 1 31 LEU HG 3.127 . 4.350 3.670 3.585 3.706 . 0 0 "[ . 1 .]" 1
466 1 31 LEU HA 1 32 ARG H 3.358 . 4.768 3.488 3.459 3.529 . 0 0 "[ . 1 .]" 1
467 1 31 LEU HA 1 33 SER H 4.029 . 6.058 3.899 3.518 4.381 . 0 0 "[ . 1 .]" 1
468 1 31 LEU HB2 1 32 ARG H 3.337 . 4.729 3.063 2.843 3.331 . 0 0 "[ . 1 .]" 1
469 1 31 LEU HB2 1 33 SER H 4.494 . 7.018 5.115 4.822 5.426 . 0 0 "[ . 1 .]" 1
470 1 31 LEU HB3 1 34 ARG H 3.368 . 6.000 5.335 4.773 6.040 0.040 14 0 "[ . 1 .]" 1
471 1 31 LEU QD 1 32 ARG H 4.452 . 6.512 3.968 3.873 4.057 . 0 0 "[ . 1 .]" 1
472 1 31 LEU QD 1 34 ARG HD2 3.949 . 5.899 3.964 2.228 5.541 . 0 0 "[ . 1 .]" 1
473 1 31 LEU QD 1 34 ARG HD3 4.181 . 6.366 3.446 2.051 5.539 . 0 0 "[ . 1 .]" 1
474 1 31 LEU QD 1 34 ARG HG2 2.845 . 6.000 3.868 2.741 4.867 . 0 0 "[ . 1 .]" 1
475 1 31 LEU QD 1 34 ARG HG3 4.847 . 7.784 3.265 2.713 3.622 . 0 0 "[ . 1 .]" 1
476 1 32 ARG H 1 32 ARG HB2 3.095 . 4.292 2.494 2.325 2.588 . 0 0 "[ . 1 .]" 1
477 1 32 ARG H 1 32 ARG HB3 2.719 . 3.643 2.888 2.472 3.615 . 0 0 "[ . 1 .]" 1
478 1 32 ARG H 1 33 SER H 2.684 . 3.585 2.554 2.328 2.732 . 0 0 "[ . 1 .]" 1
479 1 32 ARG HA 1 32 ARG HB2 2.969 . 4.071 2.660 2.447 3.026 . 0 0 "[ . 1 .]" 1
480 1 32 ARG HA 1 32 ARG HB3 2.934 . 4.010 2.854 2.480 3.028 . 0 0 "[ . 1 .]" 1
481 1 32 ARG HA 1 32 ARG HD2 4.055 . 6.111 4.265 2.046 4.843 . 0 0 "[ . 1 .]" 1
482 1 32 ARG HA 1 32 ARG HG2 3.131 . 4.357 3.024 2.435 3.221 . 0 0 "[ . 1 .]" 1
483 1 32 ARG HA 1 32 ARG HG3 3.150 . 4.391 2.860 2.459 3.755 . 0 0 "[ . 1 .]" 1
484 1 32 ARG HA 1 33 SER H 3.240 . 4.552 3.455 3.371 3.540 . 0 0 "[ . 1 .]" 1
485 1 32 ARG HA 1 34 ARG H 4.238 . 6.483 3.731 3.247 4.407 . 0 0 "[ . 1 .]" 1
486 1 32 ARG HB2 1 33 SER H 3.191 . 4.464 3.641 2.624 4.131 . 0 0 "[ . 1 .]" 1
487 1 32 ARG HB3 1 33 SER H 3.487 . 5.007 3.178 2.535 3.988 . 0 0 "[ . 1 .]" 1
488 1 33 SER H 1 33 SER HA 2.910 . 3.969 2.881 2.794 2.935 . 0 0 "[ . 1 .]" 1
489 1 33 SER H 1 33 SER HB3 2.489 . 3.263 3.140 2.484 3.691 0.428 2 0 "[ . 1 .]" 1
490 1 33 SER H 1 34 ARG H 2.875 . 3.908 2.797 2.083 3.597 . 0 0 "[ . 1 .]" 1
491 1 33 SER HA 1 34 ARG H 3.193 . 4.467 3.094 2.337 3.538 . 0 0 "[ . 1 .]" 1
492 1 33 SER HB2 1 34 ARG H 3.711 . 5.433 4.039 2.766 4.520 . 0 0 "[ . 1 .]" 1
493 1 34 ARG H 1 34 ARG HG3 3.051 . 4.215 3.216 2.380 4.687 0.472 9 0 "[ . 1 .]" 1
494 1 34 ARG H 1 35 ARG H 3.347 . 4.747 3.210 2.077 4.628 . 0 0 "[ . 1 .]" 1
495 1 34 ARG HA 1 34 ARG HG3 3.032 . 4.181 3.017 2.277 4.246 0.065 2 0 "[ . 1 .]" 1
496 1 34 ARG HA 1 35 ARG H 2.778 . 3.742 3.082 2.195 3.578 . 0 0 "[ . 1 .]" 1
497 1 34 ARG QB 1 35 ARG H 2.840 . 3.848 2.913 1.938 3.921 0.073 14 0 "[ . 1 .]" 1
498 1 34 ARG HD2 1 34 ARG HG2 2.480 . 3.249 2.568 2.420 3.015 . 0 0 "[ . 1 .]" 1
499 1 35 ARG H 1 35 ARG HG2 3.536 . 5.099 4.153 1.985 5.089 . 0 0 "[ . 1 .]" 1
500 1 35 ARG HA 1 37 GLN H 2.872 . 6.000 3.874 2.995 5.915 . 0 0 "[ . 1 .]" 1
501 1 36 GLU H 1 36 GLU HB3 2.911 . 3.971 3.551 2.663 4.044 0.073 12 0 "[ . 1 .]" 1
502 1 36 GLU H 1 36 GLU HG2 3.348 . 4.750 3.392 2.146 5.074 0.324 2 0 "[ . 1 .]" 1
503 1 36 GLU HG2 1 37 GLN H 4.062 . 6.124 4.769 2.058 5.363 . 0 0 "[ . 1 .]" 1
504 1 37 GLN H 1 37 GLN HB2 2.997 . 4.120 2.748 2.370 4.069 . 0 0 "[ . 1 .]" 1
505 1 37 GLN H 1 37 GLN HB3 3.174 . 4.434 3.632 2.448 4.102 . 0 0 "[ . 1 .]" 1
506 1 37 GLN H 1 37 GLN HG3 3.056 . 4.223 3.264 2.451 4.583 0.360 9 0 "[ . 1 .]" 1
507 1 37 GLN HB3 1 38 LYS H 2.766 . 3.722 2.782 2.087 4.102 0.380 12 0 "[ . 1 .]" 1
508 1 39 PRO HA 1 40 HIS H 3.139 . 4.371 2.909 2.133 3.576 . 0 0 "[ . 1 .]" 1
509 1 39 PRO HB2 1 41 LYS H 3.190 . 4.462 3.780 2.970 4.338 . 0 0 "[ . 1 .]" 1
510 1 40 HIS QB 1 40 HIS HD2 3.414 . 4.871 2.792 2.624 2.946 . 0 0 "[ . 1 .]" 1
stop_
save_
Contact the webmaster for help, if required. Saturday, June 1, 2024 6:08:37 AM GMT (wattos1)