NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
620006 |
5x4f   |
36060 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_5x4f
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 696
_Distance_constraint_stats_list.Viol_count 1405
_Distance_constraint_stats_list.Viol_total 2336.266
_Distance_constraint_stats_list.Viol_max 1.107
_Distance_constraint_stats_list.Viol_rms 0.0946
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0336
_Distance_constraint_stats_list.Viol_average_violations_only 0.1663
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 3 GLU 2.247 0.199 3 0 "[ . 1]"
1 4 TYR 4.825 0.231 1 0 "[ . 1]"
1 5 ILE 2.397 0.275 9 0 "[ . 1]"
1 6 ARG 12.161 0.908 3 4 "[ *+ * -1]"
1 7 VAL 5.172 0.496 9 0 "[ . 1]"
1 8 THR 5.833 0.299 10 0 "[ . 1]"
1 9 GLU 6.795 0.550 1 1 "[+ . 1]"
1 10 ASP 8.199 0.646 3 5 "[* + -* *1]"
1 11 GLU 13.056 0.956 7 7 "[*** -*+ *1]"
1 12 ASN 9.512 0.956 7 4 "[ * *. +- 1]"
1 13 ASP 6.257 0.390 5 0 "[ . 1]"
1 14 GLU 4.951 0.390 5 0 "[ . 1]"
1 15 PRO 7.693 0.350 3 0 "[ . 1]"
1 16 ILE 12.760 0.908 3 3 "[ *+ . -1]"
1 17 GLU 4.224 0.249 8 0 "[ . 1]"
1 18 ILE 3.565 0.249 8 0 "[ . 1]"
1 20 SER 2.767 0.990 3 3 "[ + *- 1]"
1 21 GLU 12.768 0.990 3 3 "[ + -* 1]"
1 22 ASP 0.604 0.155 3 0 "[ . 1]"
1 23 ASP 8.727 0.783 5 4 "[ * +- *1]"
1 24 GLY 2.863 0.440 5 0 "[ . 1]"
1 25 THR 2.334 0.900 3 3 "[ + *- 1]"
1 26 VAL 3.060 0.322 3 0 "[ . 1]"
1 27 LEU 4.766 0.702 9 1 "[ . +1]"
1 28 LEU 7.953 1.107 7 2 "[ - + 1]"
1 29 SER 3.686 0.352 3 0 "[ . 1]"
1 30 THR 6.750 0.702 9 1 "[ . +1]"
1 31 VAL 0.787 0.569 9 1 "[ . +1]"
1 32 THR 4.622 0.352 3 0 "[ . 1]"
1 33 ALA 4.932 0.289 2 0 "[ . 1]"
1 34 GLN 19.018 0.289 2 0 "[ . 1]"
1 35 PHE 4.714 0.280 2 0 "[ . 1]"
1 36 PRO 5.287 0.234 7 0 "[ . 1]"
1 37 GLY 0.000 0.000 . 0 "[ . 1]"
1 38 ALA 4.330 0.190 8 0 "[ . 1]"
1 39 SER 3.683 0.350 7 0 "[ . 1]"
1 40 GLY 6.421 0.619 9 2 "[ - +1]"
1 41 LEU 6.203 0.658 7 4 "[ * .-+ *]"
1 42 ARG 4.348 0.779 6 1 "[ .+ 1]"
1 43 TYR 8.534 0.548 9 6 "[*-* * +*]"
1 44 ARG 1.397 0.178 8 0 "[ . 1]"
1 45 ASN 1.196 0.196 2 0 "[ . 1]"
1 46 PRO 2.319 0.240 4 0 "[ . 1]"
1 47 VAL 12.086 0.633 3 5 "[ *+*. * -]"
1 48 SER 9.325 0.633 3 5 "[ *+*. * -]"
1 49 GLN 7.848 0.683 5 4 "[ + ** -]"
1 50 SER 4.477 0.683 5 4 "[ + ** -]"
1 51 MET 1.483 0.779 6 1 "[ .+ 1]"
1 52 ARG 2.697 0.272 6 0 "[ . 1]"
1 53 GLY 5.123 0.272 6 0 "[ . 1]"
1 54 VAL 5.608 0.658 7 4 "[ * .-+ *]"
1 55 ARG 10.439 0.855 6 5 "[- **+ *1]"
1 56 LEU 1.308 0.210 5 0 "[ . 1]"
1 57 VAL 2.082 0.224 2 0 "[ . 1]"
1 58 GLU 1.468 0.575 2 1 "[ + . 1]"
1 59 GLY 0.370 0.139 9 0 "[ . 1]"
1 60 ILE 5.816 0.349 6 0 "[ . 1]"
1 61 LEU 0.179 0.058 3 0 "[ . 1]"
1 62 HIS 3.058 0.796 5 1 "[ + 1]"
1 63 ALA 0.113 0.113 9 0 "[ . 1]"
1 64 PRO 2.201 0.261 9 0 "[ . 1]"
1 65 ASP 0.597 0.149 6 0 "[ . 1]"
1 66 ALA 0.064 0.064 2 0 "[ . 1]"
1 67 GLY 4.109 0.261 9 0 "[ . 1]"
1 68 TRP 8.061 0.344 1 0 "[ . 1]"
1 69 GLY 3.197 0.286 9 0 "[ . 1]"
1 70 ASN 6.562 0.404 2 0 "[ . 1]"
1 71 LEU 16.590 0.896 5 1 "[ + 1]"
1 72 VAL 6.645 0.480 7 0 "[ . 1]"
1 73 TYR 12.292 0.548 9 5 "[ -* * +*]"
1 74 VAL 3.109 0.531 1 1 "[+ . 1]"
1 75 VAL 3.215 0.328 10 0 "[ . 1]"
1 76 ASN 1.825 0.619 9 2 "[ - +1]"
1 77 TYR 5.324 0.550 1 1 "[+ . 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 3 GLU H 1 3 GLU HA 2.139 . 2.711 2.867 2.846 2.910 0.199 3 0 "[ . 1]" 1
2 1 3 GLU H 1 3 GLU QB 1.912 . 2.369 2.367 2.233 2.455 0.086 6 0 "[ . 1]" 1
3 1 3 GLU HA 1 3 GLU QB 2.280 . 2.930 2.386 2.324 2.458 . 0 0 "[ . 1]" 1
4 1 3 GLU QB 1 3 GLU HG3 1.819 . 2.232 2.224 2.140 2.310 0.078 2 0 "[ . 1]" 1
5 1 4 TYR H 1 4 TYR HB3 2.814 . 3.804 3.113 2.960 3.211 . 0 0 "[ . 1]" 1
6 1 4 TYR H 1 4 TYR HD1 3.006 . 4.135 4.256 4.173 4.311 0.176 9 0 "[ . 1]" 1
7 1 4 TYR H 1 4 TYR HE1 5.581 . 9.475 5.471 5.350 5.565 . 0 0 "[ . 1]" 1
8 1 4 TYR H 1 5 ILE H 3.390 . 4.827 4.369 4.338 4.407 . 0 0 "[ . 1]" 1
9 1 4 TYR H 1 70 ASN QB 2.884 . 3.924 3.869 3.480 4.081 0.157 7 0 "[ . 1]" 1
10 1 4 TYR HE1 1 5 ILE H 3.390 . 4.827 4.902 4.803 4.967 0.140 8 0 "[ . 1]" 1
11 1 4 TYR HE1 1 17 GLU HA 2.303 . 2.966 3.029 2.874 3.171 0.205 5 0 "[ . 1]" 1
12 1 4 TYR HE1 1 18 ILE H 2.732 . 3.665 3.794 3.716 3.896 0.231 1 0 "[ . 1]" 1
13 1 4 TYR HE1 1 70 ASN QD 1.869 . 2.306 2.279 2.014 2.401 0.095 1 0 "[ . 1]" 1
14 1 5 ILE H 1 5 ILE HB 2.784 . 3.753 3.841 3.791 3.905 0.152 5 0 "[ . 1]" 1
15 1 5 ILE H 1 5 ILE MD 3.186 . 4.455 3.068 1.809 3.938 0.108 9 0 "[ . 1]" 1
16 1 5 ILE H 1 5 ILE HG13 3.053 . 4.218 3.608 3.157 4.232 0.014 5 0 "[ . 1]" 1
17 1 5 ILE H 1 5 ILE MG 3.108 . 4.315 2.701 2.577 2.814 . 0 0 "[ . 1]" 1
18 1 5 ILE H 1 18 ILE H 3.306 . 4.672 3.146 2.913 3.308 . 0 0 "[ . 1]" 1
19 1 5 ILE HA 1 5 ILE HB 2.700 . 3.611 2.333 2.271 2.392 . 0 0 "[ . 1]" 1
20 1 5 ILE HA 1 5 ILE MG 2.894 . 3.941 2.447 2.388 2.524 . 0 0 "[ . 1]" 1
21 1 5 ILE HA 1 6 ARG H 2.822 . 3.817 2.460 2.401 2.526 . 0 0 "[ . 1]" 1
22 1 5 ILE HB 1 5 ILE MD 2.705 . 3.619 2.780 2.434 3.234 . 0 0 "[ . 1]" 1
23 1 5 ILE HB 1 5 ILE MG 2.409 . 3.134 2.122 2.113 2.129 . 0 0 "[ . 1]" 1
24 1 5 ILE HB 1 70 ASN HA 2.805 . 3.789 2.622 2.163 3.118 . 0 0 "[ . 1]" 1
25 1 5 ILE HB 1 70 ASN QB 3.066 . 3.901 3.687 3.370 3.989 0.088 2 0 "[ . 1]" 1
26 1 5 ILE HB 1 71 LEU QD 3.237 . 4.547 4.143 3.611 4.422 . 0 0 "[ . 1]" 1
27 1 5 ILE MD 1 5 ILE MG 2.246 . 2.877 1.959 1.845 2.047 . 0 0 "[ . 1]" 1
28 1 5 ILE MD 1 7 VAL MG1 3.348 . 4.749 3.697 2.863 5.024 0.275 9 0 "[ . 1]" 1
29 1 6 ARG H 1 6 ARG QB 2.836 . 3.841 2.324 2.251 2.439 . 0 0 "[ . 1]" 1
30 1 6 ARG HA 1 6 ARG QD 3.988 . 4.784 3.280 2.510 4.205 . 0 0 "[ . 1]" 1
31 1 6 ARG HA 1 16 ILE H 2.862 . 3.886 4.027 3.860 4.190 0.304 5 0 "[ . 1]" 1
32 1 6 ARG HA 1 18 ILE H 2.894 . 3.941 3.191 2.862 3.509 . 0 0 "[ . 1]" 1
33 1 6 ARG HA 1 70 ASN QB 3.163 . 4.414 3.879 3.482 4.692 0.278 5 0 "[ . 1]" 1
34 1 6 ARG QB 1 6 ARG QD . . 2.600 2.108 1.770 2.640 0.040 7 0 "[ . 1]" 1
35 1 6 ARG QB 1 6 ARG HE 2.534 . 3.337 2.956 1.934 3.572 0.235 2 0 "[ . 1]" 1
36 1 6 ARG QB 1 6 ARG HG3 2.054 . 2.581 2.301 2.108 2.451 . 0 0 "[ . 1]" 1
37 1 6 ARG QB 1 70 ASN HA 2.875 . 3.908 3.929 3.402 4.312 0.404 2 0 "[ . 1]" 1
38 1 6 ARG QB 1 71 LEU HA 2.738 . 3.675 3.940 3.661 4.571 0.896 5 1 "[ + 1]" 1
39 1 6 ARG QD 1 6 ARG HG3 2.383 . 2.931 2.374 2.154 2.513 . 0 0 "[ . 1]" 1
40 1 6 ARG QD 1 16 ILE H 2.793 . 3.768 3.327 2.251 4.676 0.908 3 3 "[ *+ . -1]" 1
41 1 6 ARG QD 1 17 GLU H 3.503 . 5.037 4.040 3.437 4.729 . 0 0 "[ . 1]" 1
42 1 6 ARG QD 1 17 GLU QG 2.766 . 3.722 2.647 1.955 3.477 . 0 0 "[ . 1]" 1
43 1 6 ARG QD 1 72 VAL HA 2.631 . 3.496 3.159 2.871 3.405 . 0 0 "[ . 1]" 1
44 1 6 ARG QD 1 72 VAL HB 2.495 . 3.273 3.292 2.857 3.570 0.297 7 0 "[ . 1]" 1
45 1 6 ARG HE 1 6 ARG HG3 2.635 . 3.503 2.837 2.189 3.778 0.275 7 0 "[ . 1]" 1
46 1 6 ARG HE 1 16 ILE H 3.045 . 4.204 3.962 3.052 4.494 0.290 6 0 "[ . 1]" 1
47 1 6 ARG HE 1 17 GLU QG 2.988 . 4.104 3.057 1.623 4.343 0.249 8 0 "[ . 1]" 1
48 1 6 ARG HE 1 72 VAL HA 3.602 . 5.224 4.648 2.870 5.341 0.117 8 0 "[ . 1]" 1
49 1 7 VAL H 1 7 VAL MG1 3.190 . 4.462 2.955 2.261 3.980 . 0 0 "[ . 1]" 1
50 1 7 VAL H 1 16 ILE HG12 1.789 . 2.189 2.332 2.285 2.398 0.209 4 0 "[ . 1]" 1
51 1 7 VAL H 1 73 TYR QD 3.197 . 4.475 4.518 4.374 4.611 0.136 4 0 "[ . 1]" 1
52 1 7 VAL HA 1 7 VAL HB 2.882 . 3.920 2.603 2.307 3.004 . 0 0 "[ . 1]" 1
53 1 7 VAL HA 1 7 VAL MG1 2.760 . 3.712 2.819 2.249 3.203 . 0 0 "[ . 1]" 1
54 1 7 VAL HA 1 7 VAL MG2 2.452 . 3.203 2.568 2.467 2.699 . 0 0 "[ . 1]" 1
55 1 7 VAL HA 1 8 THR H 2.376 . 3.082 2.225 2.139 2.280 . 0 0 "[ . 1]" 1
56 1 7 VAL HA 1 73 TYR H 3.037 . 4.190 2.256 2.078 2.436 . 0 0 "[ . 1]" 1
57 1 7 VAL HA 1 73 TYR HA 3.393 . 4.832 4.188 3.989 4.341 . 0 0 "[ . 1]" 1
58 1 7 VAL HB 1 7 VAL MG1 2.439 . 3.183 2.111 2.097 2.119 . 0 0 "[ . 1]" 1
59 1 7 VAL HB 1 7 VAL MG2 2.326 . 3.002 2.121 2.118 2.125 . 0 0 "[ . 1]" 1
60 1 7 VAL HB 1 8 THR H 2.791 . 3.764 3.856 3.776 3.935 0.171 5 0 "[ . 1]" 1
61 1 7 VAL HB 1 73 TYR QD 2.927 . 3.998 2.639 1.673 4.033 0.183 2 0 "[ . 1]" 1
62 1 7 VAL MG1 1 73 TYR QD 2.690 . 3.595 2.808 2.029 3.333 . 0 0 "[ . 1]" 1
63 1 7 VAL MG2 1 73 TYR HB2 2.623 . 3.483 2.549 2.001 3.280 . 0 0 "[ . 1]" 1
64 1 7 VAL MG2 1 73 TYR HB3 3.064 . 4.238 3.470 2.671 4.395 0.157 6 0 "[ . 1]" 1
65 1 7 VAL MG2 1 73 TYR QD 2.940 . 4.020 2.480 1.364 3.230 0.496 9 0 "[ . 1]" 1
66 1 8 THR H 1 8 THR HB 3.152 . 4.394 3.531 3.476 3.572 . 0 0 "[ . 1]" 1
67 1 8 THR H 1 8 THR MG 2.809 . 3.795 2.202 2.160 2.236 . 0 0 "[ . 1]" 1
68 1 8 THR H 1 73 TYR H 3.017 . 4.155 3.519 3.347 3.853 . 0 0 "[ . 1]" 1
69 1 8 THR HA 1 8 THR HB 2.796 . 3.773 2.328 2.305 2.361 . 0 0 "[ . 1]" 1
70 1 8 THR HA 1 8 THR MG 2.863 . 3.888 3.157 3.150 3.167 . 0 0 "[ . 1]" 1
71 1 8 THR HA 1 9 GLU H 2.494 . 3.271 2.463 2.333 2.542 . 0 0 "[ . 1]" 1
72 1 8 THR HA 1 10 ASP H 3.063 . 4.236 4.402 4.258 4.535 0.299 10 0 "[ . 1]" 1
73 1 8 THR HB 1 8 THR MG 1.700 . 2.061 2.079 2.074 2.085 0.024 2 0 "[ . 1]" 1
74 1 8 THR HB 1 9 GLU H 3.000 . 4.125 3.715 3.570 3.861 . 0 0 "[ . 1]" 1
75 1 8 THR HB 1 10 ASP H 3.335 . 4.725 4.589 4.374 4.717 . 0 0 "[ . 1]" 1
76 1 8 THR HB 1 13 ASP HB3 2.923 . 3.991 3.825 3.643 3.959 . 0 0 "[ . 1]" 1
77 1 8 THR HB 1 15 PRO HD3 3.029 . 4.176 3.543 3.389 3.724 . 0 0 "[ . 1]" 1
78 1 8 THR HB 1 16 ILE H 2.578 . 3.408 3.253 3.108 3.337 . 0 0 "[ . 1]" 1
79 1 8 THR HB 1 16 ILE MD 2.278 . 2.927 3.001 2.968 3.029 0.102 3 0 "[ . 1]" 1
80 1 8 THR HB 1 16 ILE MG 3.043 . 4.201 4.113 4.073 4.144 . 0 0 "[ . 1]" 1
81 1 8 THR MG 1 11 GLU HA 2.596 . 3.439 2.649 2.478 2.782 . 0 0 "[ . 1]" 1
82 1 8 THR MG 1 13 ASP H 2.982 . 4.093 3.223 2.781 3.480 . 0 0 "[ . 1]" 1
83 1 8 THR MG 1 15 PRO HA 1.853 . 2.282 2.335 2.270 2.382 0.100 9 0 "[ . 1]" 1
84 1 8 THR MG 1 15 PRO HG3 2.250 . 2.883 3.063 3.043 3.089 0.206 6 0 "[ . 1]" 1
85 1 8 THR MG 1 16 ILE H 3.512 . 5.054 3.902 3.809 4.003 . 0 0 "[ . 1]" 1
86 1 9 GLU H 1 9 GLU HA 2.630 . 3.494 2.847 2.788 2.894 . 0 0 "[ . 1]" 1
87 1 9 GLU H 1 9 GLU QB 2.438 . 3.181 2.317 2.218 2.413 . 0 0 "[ . 1]" 1
88 1 9 GLU H 1 10 ASP H 2.536 . 3.340 2.509 2.257 2.672 . 0 0 "[ . 1]" 1
89 1 9 GLU H 1 13 ASP HB2 2.730 . 3.662 3.643 3.316 3.757 0.095 10 0 "[ . 1]" 1
90 1 9 GLU HA 1 9 GLU QB 2.494 . 3.271 2.389 2.319 2.486 . 0 0 "[ . 1]" 1
91 1 9 GLU HA 1 9 GLU HG2 2.494 . 3.271 3.005 2.370 3.518 0.247 7 0 "[ . 1]" 1
92 1 9 GLU HA 1 9 GLU HG3 3.172 . 4.430 2.608 2.186 3.593 . 0 0 "[ . 1]" 1
93 1 9 GLU HA 1 10 ASP H 2.847 . 3.860 3.481 3.443 3.520 . 0 0 "[ . 1]" 1
94 1 9 GLU HA 1 13 ASP H 4.182 . 6.368 6.593 6.486 6.653 0.285 8 0 "[ . 1]" 1
95 1 9 GLU HA 1 74 VAL HA 3.534 . 5.095 4.108 3.922 4.288 . 0 0 "[ . 1]" 1
96 1 9 GLU HA 1 77 TYR QE 3.275 . 4.616 4.717 4.475 4.881 0.265 8 0 "[ . 1]" 1
97 1 9 GLU QB 1 10 ASP H 2.510 . 3.297 2.585 2.276 2.815 . 0 0 "[ . 1]" 1
98 1 9 GLU QB 1 13 ASP HB2 3.435 . 4.332 3.207 2.943 3.551 . 0 0 "[ . 1]" 1
99 1 9 GLU QB 1 77 TYR QE 3.329 . 4.715 4.612 4.512 4.721 0.006 8 0 "[ . 1]" 1
100 1 9 GLU HG2 1 77 TYR QE 2.871 . 3.901 3.852 2.774 4.451 0.550 1 1 "[+ . 1]" 1
101 1 9 GLU HG3 1 75 VAL HB 2.604 . 3.451 3.182 2.154 3.779 0.328 10 0 "[ . 1]" 1
102 1 9 GLU HG3 1 77 TYR QE 3.096 . 4.294 3.811 3.020 4.377 0.083 2 0 "[ . 1]" 1
103 1 10 ASP H 1 10 ASP HA 2.710 . 3.628 2.919 2.899 2.935 . 0 0 "[ . 1]" 1
104 1 10 ASP H 1 10 ASP QB 2.485 . 3.257 2.565 2.320 2.694 . 0 0 "[ . 1]" 1
105 1 10 ASP H 1 11 GLU H 2.971 . 4.074 4.319 4.290 4.362 0.288 10 0 "[ . 1]" 1
106 1 10 ASP HA 1 10 ASP QB 2.424 . 3.159 2.457 2.391 2.519 . 0 0 "[ . 1]" 1
107 1 10 ASP HA 1 11 GLU H 2.296 . 2.955 2.245 2.166 2.303 . 0 0 "[ . 1]" 1
108 1 10 ASP QB 1 11 GLU H 2.142 . 2.716 3.125 2.776 3.362 0.646 3 5 "[* + -* *1]" 1
109 1 11 GLU H 1 11 GLU HA 2.597 . 3.440 2.809 2.793 2.839 . 0 0 "[ . 1]" 1
110 1 11 GLU H 1 11 GLU HB2 2.161 . 2.745 2.753 2.486 2.935 0.190 1 0 "[ . 1]" 1
111 1 11 GLU H 1 11 GLU HG2 2.372 . 3.075 2.544 2.111 3.566 0.491 7 0 "[ . 1]" 1
112 1 11 GLU H 1 12 ASN H 1.915 . 2.374 2.465 2.400 2.542 0.168 3 0 "[ . 1]" 1
113 1 11 GLU HA 1 11 GLU HB2 2.309 . 2.975 2.998 2.963 3.029 0.054 3 0 "[ . 1]" 1
114 1 11 GLU HA 1 11 GLU HG2 2.251 . 2.884 2.831 2.661 2.900 0.016 1 0 "[ . 1]" 1
115 1 11 GLU HA 1 12 ASN H 2.838 . 3.845 3.434 3.385 3.461 . 0 0 "[ . 1]" 1
116 1 11 GLU HA 1 12 ASN HA 3.359 . 4.769 4.537 4.448 4.671 . 0 0 "[ . 1]" 1
117 1 11 GLU HA 1 13 ASP H 3.189 . 4.460 4.025 3.896 4.195 . 0 0 "[ . 1]" 1
118 1 11 GLU HA 1 74 VAL MG2 2.725 . 3.653 3.086 2.805 3.372 . 0 0 "[ . 1]" 1
119 1 11 GLU HB2 1 12 ASN H 2.713 . 3.633 2.762 2.465 3.079 . 0 0 "[ . 1]" 1
120 1 11 GLU HB2 1 12 ASN HB3 8.407 . 17.241 4.309 3.670 4.673 . 0 0 "[ . 1]" 1
121 1 11 GLU HG2 1 12 ASN H 2.990 . 4.107 4.450 4.198 5.063 0.956 7 2 "[ - . + 1]" 1
122 1 11 GLU HG2 1 74 VAL MG2 2.389 . 3.103 1.936 1.582 2.329 0.093 10 0 "[ . 1]" 1
123 1 12 ASN H 1 12 ASN HA 2.567 . 3.391 2.923 2.871 2.938 . 0 0 "[ . 1]" 1
124 1 12 ASN H 1 12 ASN HB2 2.324 . 2.999 3.096 2.690 3.683 0.684 2 3 "[ + *. - 1]" 1
125 1 12 ASN H 1 12 ASN HB3 2.352 . 3.044 2.829 2.688 3.073 0.029 2 0 "[ . 1]" 1
126 1 12 ASN H 1 13 ASP H 2.248 . 2.879 2.595 2.433 2.764 . 0 0 "[ . 1]" 1
127 1 12 ASN HA 1 12 ASN HB2 1.920 . 2.381 2.507 2.451 2.559 0.178 6 0 "[ . 1]" 1
128 1 12 ASN HA 1 12 ASN HB3 2.121 . 2.684 2.792 2.332 2.980 0.296 7 0 "[ . 1]" 1
129 1 12 ASN HA 1 13 ASP H 2.511 . 3.299 3.077 2.961 3.316 0.017 8 0 "[ . 1]" 1
130 1 12 ASN HB2 1 12 ASN HD21 2.537 . 3.342 2.572 2.193 3.424 0.082 4 0 "[ . 1]" 1
131 1 13 ASP H 1 13 ASP HB2 2.094 . 2.642 2.537 2.487 2.646 0.004 1 0 "[ . 1]" 1
132 1 13 ASP H 1 14 GLU H 2.969 . 4.071 3.729 3.655 3.810 . 0 0 "[ . 1]" 1
133 1 13 ASP HB2 1 14 GLU H 2.113 . 2.671 3.041 3.012 3.061 0.390 5 0 "[ . 1]" 1
134 1 13 ASP HB3 1 14 GLU QB 3.078 . 4.262 3.782 3.700 3.870 . 0 0 "[ . 1]" 1
135 1 14 GLU H 1 14 GLU QB 2.086 . 2.630 2.507 2.448 2.586 . 0 0 "[ . 1]" 1
136 1 14 GLU H 1 15 PRO HD2 3.513 . 5.056 4.358 4.273 4.447 . 0 0 "[ . 1]" 1
137 1 14 GLU H 1 15 PRO HD3 3.366 . 4.782 3.772 3.623 3.897 . 0 0 "[ . 1]" 1
138 1 14 GLU HA 1 14 GLU QB 2.115 . 2.674 2.419 2.341 2.474 . 0 0 "[ . 1]" 1
139 1 14 GLU HA 1 14 GLU HG3 2.593 . 3.433 2.983 2.447 3.669 0.236 5 0 "[ . 1]" 1
140 1 14 GLU HA 1 15 PRO HD2 2.432 . 3.172 2.037 1.975 2.112 . 0 0 "[ . 1]" 1
141 1 14 GLU HA 1 15 PRO HD3 2.639 . 3.510 2.789 2.574 2.931 . 0 0 "[ . 1]" 1
142 1 14 GLU HA 1 15 PRO HG2 2.977 . 4.085 4.167 4.106 4.236 0.151 2 0 "[ . 1]" 1
143 1 14 GLU QB 1 14 GLU HG3 2.074 . 2.612 2.281 2.158 2.368 . 0 0 "[ . 1]" 1
144 1 15 PRO HA 1 15 PRO HG2 2.710 . 3.628 3.752 3.747 3.759 0.131 4 0 "[ . 1]" 1
145 1 15 PRO HA 1 16 ILE H 2.798 . 3.777 2.167 2.140 2.199 . 0 0 "[ . 1]" 1
146 1 15 PRO HA 1 16 ILE MG 2.918 . 3.983 3.630 3.569 3.662 . 0 0 "[ . 1]" 1
147 1 15 PRO HD2 1 15 PRO HG2 2.040 . 2.560 2.307 2.291 2.320 . 0 0 "[ . 1]" 1
148 1 15 PRO HD2 1 15 PRO HG3 2.502 . 3.285 2.706 2.694 2.722 . 0 0 "[ . 1]" 1
149 1 15 PRO HD3 1 15 PRO HG2 2.315 . 2.985 2.982 2.969 2.992 0.007 1 0 "[ . 1]" 1
150 1 15 PRO HD3 1 15 PRO HG3 2.022 . 2.533 2.317 2.303 2.328 . 0 0 "[ . 1]" 1
151 1 15 PRO HG2 1 16 ILE H 3.144 . 4.380 4.697 4.678 4.730 0.350 3 0 "[ . 1]" 1
152 1 15 PRO HG2 1 16 ILE HA 3.430 . 4.901 4.883 4.777 4.949 0.048 1 0 "[ . 1]" 1
153 1 16 ILE H 1 16 ILE HB 2.967 . 4.068 3.732 3.720 3.750 . 0 0 "[ . 1]" 1
154 1 16 ILE H 1 16 ILE MD 2.719 . 3.643 2.624 2.458 2.729 . 0 0 "[ . 1]" 1
155 1 16 ILE H 1 16 ILE HG12 2.842 . 3.852 1.958 1.929 2.027 . 0 0 "[ . 1]" 1
156 1 16 ILE H 1 16 ILE HG13 2.534 . 3.337 3.598 3.572 3.627 0.290 5 0 "[ . 1]" 1
157 1 16 ILE H 1 16 ILE MG 2.744 . 3.685 3.074 3.026 3.124 . 0 0 "[ . 1]" 1
158 1 16 ILE HA 1 16 ILE HB 2.396 . 3.113 2.523 2.513 2.532 . 0 0 "[ . 1]" 1
159 1 16 ILE HA 1 16 ILE MD 3.037 . 4.190 3.810 3.792 3.824 . 0 0 "[ . 1]" 1
160 1 16 ILE HA 1 16 ILE MG 2.329 . 3.007 2.236 2.215 2.263 . 0 0 "[ . 1]" 1
161 1 16 ILE HB 1 16 ILE HG13 2.209 . 2.819 2.245 2.236 2.250 . 0 0 "[ . 1]" 1
162 1 16 ILE HB 1 16 ILE MG 2.186 . 2.783 2.117 2.115 2.120 . 0 0 "[ . 1]" 1
163 1 16 ILE MD 1 16 ILE MG 1.964 . 2.446 1.774 1.764 1.794 . 0 0 "[ . 1]" 1
164 1 17 GLU HA 1 17 GLU HB2 2.289 . 2.944 3.003 2.996 3.011 0.067 9 0 "[ . 1]" 1
165 1 17 GLU HA 1 17 GLU HB3 1.985 . 2.478 2.414 2.343 2.484 0.006 1 0 "[ . 1]" 1
166 1 17 GLU HA 1 17 GLU QG 2.145 . 2.720 2.469 2.414 2.548 . 0 0 "[ . 1]" 1
167 1 17 GLU HB3 1 18 ILE H 2.362 . 3.059 3.265 3.222 3.308 0.249 8 0 "[ . 1]" 1
168 1 17 GLU HB3 1 20 SER H 5.492 . 9.262 8.394 7.805 8.747 . 0 0 "[ . 1]" 1
169 1 18 ILE HB 1 18 ILE MD 2.533 . 3.335 2.374 2.230 2.443 . 0 0 "[ . 1]" 1
170 1 18 ILE HB 1 18 ILE HG13 2.195 . 2.797 2.541 2.461 3.008 0.211 6 0 "[ . 1]" 1
171 1 18 ILE HB 1 18 ILE MG 2.199 . 2.803 2.120 2.104 2.128 . 0 0 "[ . 1]" 1
172 1 20 SER H 1 20 SER QB 3.226 . 4.325 2.731 2.481 2.988 . 0 0 "[ . 1]" 1
173 1 20 SER HA 1 20 SER QB 2.654 . 2.900 2.274 2.186 2.349 . 0 0 "[ . 1]" 1
174 1 20 SER QB 1 21 GLU H 2.883 . 3.922 2.332 2.276 2.408 . 0 0 "[ . 1]" 1
175 1 20 SER QB 1 21 GLU HB3 3.168 . 4.422 4.539 4.100 5.412 0.990 3 3 "[ + *- 1]" 1
176 1 20 SER QB 1 24 GLY HA2 3.850 . 5.703 3.759 3.291 4.194 . 0 0 "[ . 1]" 1
177 1 21 GLU H 1 21 GLU HA 2.969 . 4.071 2.837 2.824 2.863 . 0 0 "[ . 1]" 1
178 1 21 GLU H 1 21 GLU HB3 2.416 . 3.146 2.899 2.521 3.626 0.480 3 0 "[ . 1]" 1
179 1 21 GLU H 1 22 ASP H 3.331 . 4.718 4.559 4.545 4.580 . 0 0 "[ . 1]" 1
180 1 21 GLU H 1 25 THR MG 3.358 . 4.767 4.031 3.870 4.235 . 0 0 "[ . 1]" 1
181 1 21 GLU HA 1 21 GLU HB3 2.209 . 2.819 2.826 2.383 3.002 0.183 2 0 "[ . 1]" 1
182 1 21 GLU HA 1 21 GLU HG3 2.365 . 3.064 2.862 2.409 3.745 0.681 5 1 "[ + 1]" 1
183 1 21 GLU HA 1 22 ASP H 2.094 . 2.642 2.155 2.102 2.193 . 0 0 "[ . 1]" 1
184 1 21 GLU HA 1 23 ASP H 2.721 . 3.647 3.937 3.803 4.045 0.398 3 0 "[ . 1]" 1
185 1 21 GLU HA 1 25 THR MG 3.701 . 5.413 4.843 4.582 5.023 . 0 0 "[ . 1]" 1
186 1 21 GLU HB3 1 23 ASP H 2.475 . 3.241 3.106 2.531 3.320 0.079 8 0 "[ . 1]" 1
187 1 21 GLU HB3 1 24 GLY H 2.938 . 4.017 3.923 3.427 4.457 0.440 5 0 "[ . 1]" 1
188 1 21 GLU HB3 1 25 THR MG 1.997 . 2.495 2.515 2.044 3.395 0.900 3 3 "[ + *- 1]" 1
189 1 22 ASP H 1 22 ASP QB 2.330 . 3.009 2.371 2.146 2.632 . 0 0 "[ . 1]" 1
190 1 22 ASP H 1 23 ASP H 2.789 . 3.761 2.740 2.717 2.769 . 0 0 "[ . 1]" 1
191 1 22 ASP HA 1 22 ASP QB 2.121 . 2.683 2.344 2.280 2.409 . 0 0 "[ . 1]" 1
192 1 22 ASP QB 1 23 ASP H 2.293 . 2.950 2.846 2.725 2.927 . 0 0 "[ . 1]" 1
193 1 22 ASP QB 1 24 GLY H 3.022 . 4.164 4.208 4.066 4.319 0.155 3 0 "[ . 1]" 1
194 1 23 ASP H 1 23 ASP HB3 2.680 . 3.578 2.963 2.400 3.636 0.058 2 0 "[ . 1]" 1
195 1 23 ASP H 1 24 GLY H 2.671 . 3.563 2.320 2.226 2.421 . 0 0 "[ . 1]" 1
196 1 23 ASP H 1 24 GLY HA2 3.220 . 4.516 4.640 4.604 4.678 0.162 2 0 "[ . 1]" 1
197 1 23 ASP H 1 25 THR H 3.167 . 4.421 3.259 3.151 3.391 . 0 0 "[ . 1]" 1
198 1 23 ASP H 1 25 THR MG 3.497 . 5.026 4.158 3.941 4.500 . 0 0 "[ . 1]" 1
199 1 23 ASP HA 1 23 ASP HB2 1.817 . 2.230 2.634 2.355 3.013 0.783 5 4 "[ * +- *1]" 1
200 1 23 ASP HA 1 23 ASP HB3 2.290 . 2.945 2.686 2.412 3.015 0.070 1 0 "[ . 1]" 1
201 1 23 ASP HA 1 25 THR H 4.580 . 7.202 4.668 4.552 4.828 . 0 0 "[ . 1]" 1
202 1 23 ASP HB3 1 24 GLY H 3.310 . 4.679 3.872 3.314 4.279 . 0 0 "[ . 1]" 1
203 1 24 GLY H 1 24 GLY HA2 2.428 . 3.165 2.345 2.301 2.381 . 0 0 "[ . 1]" 1
204 1 24 GLY H 1 25 THR H 2.717 . 3.640 2.174 2.043 2.437 . 0 0 "[ . 1]" 1
205 1 24 GLY H 1 25 THR MG 3.386 . 4.819 4.587 4.482 4.654 . 0 0 "[ . 1]" 1
206 1 24 GLY HA2 1 25 THR H 2.550 . 3.363 2.853 2.800 2.932 . 0 0 "[ . 1]" 1
207 1 25 THR H 1 25 THR MG 2.574 . 3.402 3.097 2.757 3.223 . 0 0 "[ . 1]" 1
208 1 25 THR H 1 26 VAL MG1 3.370 . 4.789 4.230 4.158 4.351 . 0 0 "[ . 1]" 1
209 1 25 THR H 1 60 ILE MG 3.700 . 5.411 4.890 4.791 5.033 . 0 0 "[ . 1]" 1
210 1 25 THR HA 1 26 VAL MG1 3.065 . 4.239 4.134 4.084 4.179 . 0 0 "[ . 1]" 1
211 1 25 THR HA 1 26 VAL MG2 3.464 . 4.964 3.154 2.994 3.252 . 0 0 "[ . 1]" 1
212 1 25 THR HB 1 25 THR MG 1.939 . 2.409 2.107 2.102 2.112 . 0 0 "[ . 1]" 1
213 1 25 THR MG 1 26 VAL H 2.537 . 3.342 2.516 2.438 2.576 . 0 0 "[ . 1]" 1
214 1 26 VAL H 1 26 VAL HB 2.580 . 3.412 3.718 3.701 3.734 0.322 3 0 "[ . 1]" 1
215 1 26 VAL H 1 26 VAL MG1 2.895 . 3.943 3.421 3.383 3.482 . 0 0 "[ . 1]" 1
216 1 26 VAL H 1 26 VAL MG2 3.028 . 4.174 2.130 2.097 2.161 . 0 0 "[ . 1]" 1
217 1 26 VAL H 1 60 ILE MG 2.558 . 3.376 2.293 2.144 2.547 . 0 0 "[ . 1]" 1
218 1 26 VAL H 1 61 LEU H 2.816 . 3.807 2.804 2.674 2.954 . 0 0 "[ . 1]" 1
219 1 26 VAL HA 1 26 VAL HB 2.623 . 3.483 2.608 2.586 2.629 . 0 0 "[ . 1]" 1
220 1 26 VAL HA 1 26 VAL MG1 2.738 . 3.675 2.208 2.190 2.227 . 0 0 "[ . 1]" 1
221 1 26 VAL HA 1 26 VAL MG2 2.463 . 3.221 3.113 3.102 3.121 . 0 0 "[ . 1]" 1
222 1 26 VAL HB 1 26 VAL MG1 3.045 . 4.204 2.134 2.129 2.139 . 0 0 "[ . 1]" 1
223 1 26 VAL HB 1 26 VAL MG2 2.308 . 2.974 2.115 2.112 2.116 . 0 0 "[ . 1]" 1
224 1 26 VAL MG1 1 26 VAL MG2 2.278 . 2.927 2.045 2.035 2.053 . 0 0 "[ . 1]" 1
225 1 26 VAL MG1 1 27 LEU H 3.244 . 4.559 3.396 3.248 3.532 . 0 0 "[ . 1]" 1
226 1 26 VAL MG2 1 61 LEU H 3.239 . 4.550 2.990 2.880 3.193 . 0 0 "[ . 1]" 1
227 1 27 LEU H 1 27 LEU HA 2.891 . 3.936 2.842 2.830 2.856 . 0 0 "[ . 1]" 1
228 1 27 LEU H 1 27 LEU QD 2.528 . 3.327 2.088 1.452 3.714 0.387 9 0 "[ . 1]" 1
229 1 27 LEU HA 1 29 SER H 2.862 . 3.886 4.008 3.963 4.071 0.185 9 0 "[ . 1]" 1
230 1 27 LEU HB2 1 27 LEU QD 2.702 . 3.615 2.042 1.973 2.387 . 0 0 "[ . 1]" 1
231 1 27 LEU HB2 1 30 THR H 3.275 . 4.616 2.928 2.299 4.531 . 0 0 "[ . 1]" 1
232 1 27 LEU HB2 1 30 THR MG 2.245 . 2.875 2.846 2.679 3.577 0.702 9 1 "[ . +1]" 1
233 1 27 LEU HB3 1 30 THR H 3.132 . 4.358 3.556 2.358 4.157 . 0 0 "[ . 1]" 1
234 1 27 LEU QD 1 30 THR H 2.579 . 3.410 3.185 1.587 3.407 0.161 9 0 "[ . 1]" 1
235 1 27 LEU QD 1 30 THR HA 3.016 . 4.153 3.865 3.501 3.987 . 0 0 "[ . 1]" 1
236 1 27 LEU QD 1 30 THR HB 2.419 . 3.150 1.904 1.698 2.204 0.140 7 0 "[ . 1]" 1
237 1 27 LEU QD 1 30 THR MG 2.697 . 2.866 1.819 1.554 2.453 0.233 10 0 "[ . 1]" 1
238 1 28 LEU H 1 28 LEU HB2 2.546 . 3.356 3.074 2.617 3.232 . 0 0 "[ . 1]" 1
239 1 28 LEU H 1 28 LEU HB3 2.524 . 3.321 1.987 1.864 2.311 . 0 0 "[ . 1]" 1
240 1 28 LEU H 1 28 LEU MD1 4.128 . 6.259 4.250 4.169 4.277 . 0 0 "[ . 1]" 1
241 1 28 LEU H 1 28 LEU HG 2.455 . 3.208 3.659 3.456 4.315 1.107 7 2 "[ - + 1]" 1
242 1 28 LEU H 1 59 GLY HA2 3.253 . 4.576 4.576 4.367 4.715 0.139 9 0 "[ . 1]" 1
243 1 28 LEU H 1 61 LEU H 3.262 . 4.592 3.030 2.895 3.166 . 0 0 "[ . 1]" 1
244 1 28 LEU HB2 1 28 LEU MD1 2.392 . 3.107 2.291 2.259 2.363 . 0 0 "[ . 1]" 1
245 1 28 LEU HB2 1 28 LEU MD2 2.633 . 3.500 2.499 2.415 2.536 . 0 0 "[ . 1]" 1
246 1 28 LEU HB2 1 28 LEU HG 2.297 . 2.956 2.989 2.982 3.002 0.046 7 0 "[ . 1]" 1
247 1 28 LEU HB2 1 31 VAL H 3.856 . 5.715 5.584 5.422 5.793 0.078 5 0 "[ . 1]" 1
248 1 28 LEU HB3 1 28 LEU MD2 2.722 . 3.648 2.233 2.205 2.289 . 0 0 "[ . 1]" 1
249 1 28 LEU HB3 1 28 LEU HG 2.345 . 3.032 2.516 2.464 2.542 . 0 0 "[ . 1]" 1
250 1 28 LEU HB3 1 29 SER H 2.532 . 3.333 2.862 2.378 3.043 . 0 0 "[ . 1]" 1
251 1 28 LEU HB3 1 30 THR H 3.351 . 4.755 5.003 4.897 5.102 0.347 9 0 "[ . 1]" 1
252 1 28 LEU HG 1 29 SER H 3.020 . 4.160 2.307 2.010 3.218 . 0 0 "[ . 1]" 1
253 1 28 LEU HG 1 29 SER HA 2.343 . 3.029 2.989 2.861 3.110 0.081 7 0 "[ . 1]" 1
254 1 29 SER H 1 29 SER HB2 2.803 . 3.785 3.167 2.590 3.544 . 0 0 "[ . 1]" 1
255 1 29 SER H 1 30 THR H 2.841 . 3.850 2.553 2.433 2.720 . 0 0 "[ . 1]" 1
256 1 29 SER H 1 32 THR MG 2.974 . 4.080 3.727 3.614 3.923 . 0 0 "[ . 1]" 1
257 1 29 SER HA 1 29 SER HB2 2.589 . 3.427 2.689 2.412 3.027 . 0 0 "[ . 1]" 1
258 1 29 SER HA 1 29 SER HB3 2.501 . 3.283 2.450 2.352 3.029 . 0 0 "[ . 1]" 1
259 1 29 SER HA 1 32 THR H 3.026 . 4.171 3.090 2.930 3.213 . 0 0 "[ . 1]" 1
260 1 29 SER HA 1 32 THR MG 2.832 . 3.834 1.622 1.478 2.105 0.352 3 0 "[ . 1]" 1
261 1 30 THR H 1 30 THR HA 2.688 . 3.591 2.835 2.799 2.851 . 0 0 "[ . 1]" 1
262 1 30 THR H 1 30 THR HB 2.800 . 3.780 2.238 2.179 2.465 . 0 0 "[ . 1]" 1
263 1 30 THR H 1 30 THR MG 2.822 . 3.817 3.469 2.397 3.600 . 0 0 "[ . 1]" 1
264 1 30 THR H 1 31 VAL H 2.625 . 3.487 2.396 2.305 2.573 . 0 0 "[ . 1]" 1
265 1 30 THR H 1 31 VAL HB 3.269 . 4.605 4.283 4.111 4.436 . 0 0 "[ . 1]" 1
266 1 30 THR HA 1 30 THR HB 2.212 . 2.824 2.923 2.568 2.972 0.148 3 0 "[ . 1]" 1
267 1 30 THR HA 1 30 THR MG 2.340 . 3.024 2.569 2.464 3.136 0.112 9 0 "[ . 1]" 1
268 1 30 THR HA 1 31 VAL H 2.629 . 3.493 3.474 3.421 3.508 0.015 5 0 "[ . 1]" 1
269 1 30 THR HB 1 30 THR MG 2.320 . 2.993 2.083 2.052 2.093 . 0 0 "[ . 1]" 1
270 1 30 THR HB 1 31 VAL HA 3.375 . 4.799 4.813 4.646 5.368 0.569 9 1 "[ . +1]" 1
271 1 30 THR MG 1 31 VAL H 3.115 . 4.328 3.088 2.144 3.241 . 0 0 "[ . 1]" 1
272 1 30 THR MG 1 31 VAL HA 2.728 . 3.658 3.450 2.838 3.560 . 0 0 "[ . 1]" 1
273 1 31 VAL H 1 31 VAL HB 2.568 . 3.392 2.263 2.189 2.376 . 0 0 "[ . 1]" 1
274 1 31 VAL H 1 32 THR H 2.645 . 3.520 2.746 2.612 2.862 . 0 0 "[ . 1]" 1
275 1 31 VAL HA 1 31 VAL HB 2.656 . 3.538 2.988 2.967 3.005 . 0 0 "[ . 1]" 1
276 1 31 VAL HA 1 31 VAL MG1 3.351 . 4.755 2.645 2.534 2.724 . 0 0 "[ . 1]" 1
277 1 31 VAL HA 1 31 VAL MG2 1.869 . 2.306 2.212 2.181 2.243 . 0 0 "[ . 1]" 1
278 1 31 VAL HA 1 32 THR H 3.167 . 4.421 3.573 3.542 3.588 . 0 0 "[ . 1]" 1
279 1 31 VAL HA 1 32 THR MG 3.464 . 4.964 4.696 4.644 4.750 . 0 0 "[ . 1]" 1
280 1 31 VAL HA 1 33 ALA H 4.730 . 7.527 4.019 3.932 4.087 . 0 0 "[ . 1]" 1
281 1 31 VAL HA 1 34 GLN HE21 3.262 . 4.592 3.632 3.514 3.742 . 0 0 "[ . 1]" 1
282 1 31 VAL HA 1 34 GLN HG2 3.151 . 4.392 4.197 4.133 4.301 . 0 0 "[ . 1]" 1
283 1 31 VAL HB 1 31 VAL MG1 4.518 . 7.069 2.130 2.124 2.138 . 0 0 "[ . 1]" 1
284 1 31 VAL HB 1 31 VAL MG2 2.066 . 2.599 2.115 2.104 2.123 . 0 0 "[ . 1]" 1
285 1 31 VAL HB 1 32 THR H 2.676 . 3.571 2.816 2.718 2.919 . 0 0 "[ . 1]" 1
286 1 31 VAL HB 1 32 THR MG 2.527 . 3.325 3.260 3.194 3.320 . 0 0 "[ . 1]" 1
287 1 32 THR H 1 32 THR HA 2.607 . 3.457 2.816 2.800 2.823 . 0 0 "[ . 1]" 1
288 1 32 THR H 1 32 THR HB 4.161 . 6.326 3.535 3.399 3.633 . 0 0 "[ . 1]" 1
289 1 32 THR H 1 32 THR MG 2.504 . 3.288 1.678 1.606 1.750 0.114 8 0 "[ . 1]" 1
290 1 32 THR H 1 33 ALA H 2.505 . 3.290 2.687 2.639 2.752 . 0 0 "[ . 1]" 1
291 1 32 THR HA 1 32 THR HB 2.527 . 3.325 2.242 2.194 2.298 . 0 0 "[ . 1]" 1
292 1 32 THR HA 1 32 THR MG 2.245 . 2.875 2.729 2.610 2.861 . 0 0 "[ . 1]" 1
293 1 32 THR HA 1 34 GLN HE21 3.217 . 4.510 4.499 4.437 4.526 0.016 5 0 "[ . 1]" 1
294 1 32 THR HA 1 34 GLN HG2 2.523 . 3.319 3.496 3.425 3.545 0.226 7 0 "[ . 1]" 1
295 1 32 THR HB 1 32 THR MG 2.006 . 2.509 2.077 2.057 2.096 . 0 0 "[ . 1]" 1
296 1 32 THR HB 1 38 ALA MB 2.580 . 3.412 1.884 1.825 1.937 . 0 0 "[ . 1]" 1
297 1 32 THR MG 1 36 PRO HD3 3.868 . 5.738 5.283 5.174 5.338 . 0 0 "[ . 1]" 1
298 1 32 THR MG 1 38 ALA H 3.475 . 4.984 4.590 4.408 4.725 . 0 0 "[ . 1]" 1
299 1 32 THR MG 1 38 ALA HA 2.373 . 3.077 2.836 2.658 2.972 . 0 0 "[ . 1]" 1
300 1 33 ALA H 1 33 ALA HA 2.372 . 3.075 2.762 2.752 2.771 . 0 0 "[ . 1]" 1
301 1 33 ALA H 1 33 ALA MB 2.121 . 2.683 2.131 2.117 2.145 . 0 0 "[ . 1]" 1
302 1 33 ALA H 1 34 GLN H 3.045 . 4.204 3.489 3.412 3.542 . 0 0 "[ . 1]" 1
303 1 33 ALA H 1 34 GLN HE21 2.460 . 3.217 2.760 2.680 2.856 . 0 0 "[ . 1]" 1
304 1 33 ALA H 1 34 GLN HE22 3.128 . 4.351 3.983 3.864 4.133 . 0 0 "[ . 1]" 1
305 1 33 ALA HA 1 33 ALA MB 1.864 . 2.298 2.086 2.082 2.090 . 0 0 "[ . 1]" 1
306 1 33 ALA HA 1 34 GLN HB3 3.256 . 4.581 4.852 4.830 4.870 0.289 2 0 "[ . 1]" 1
307 1 33 ALA HA 1 34 GLN HE21 2.528 . 3.327 3.550 3.527 3.563 0.236 1 0 "[ . 1]" 1
308 1 33 ALA MB 1 34 GLN HE21 2.343 . 3.029 1.923 1.826 2.020 . 0 0 "[ . 1]" 1
309 1 34 GLN H 1 34 GLN HA 2.581 . 3.413 2.756 2.744 2.768 . 0 0 "[ . 1]" 1
310 1 34 GLN H 1 34 GLN HB3 3.157 . 4.403 3.631 3.619 3.649 . 0 0 "[ . 1]" 1
311 1 34 GLN H 1 35 PHE HD1 3.214 . 4.505 4.499 4.186 4.579 0.074 3 0 "[ . 1]" 1
312 1 34 GLN HA 1 34 GLN HB2 2.546 . 3.356 2.496 2.488 2.507 . 0 0 "[ . 1]" 1
313 1 34 GLN HA 1 35 PHE H 2.100 . 2.651 2.689 2.668 2.707 0.056 8 0 "[ . 1]" 1
314 1 34 GLN HB2 1 34 GLN HG2 2.087 . 2.632 2.845 2.835 2.855 0.223 4 0 "[ . 1]" 1
315 1 34 GLN HB2 1 35 PHE HB2 2.760 . 3.712 3.960 3.901 3.992 0.280 2 0 "[ . 1]" 1
316 1 34 GLN HB2 1 36 PRO HD3 2.693 . 3.599 3.743 3.722 3.756 0.157 1 0 "[ . 1]" 1
317 1 34 GLN HB3 1 34 GLN HG2 2.018 . 2.527 2.755 2.748 2.763 0.236 8 0 "[ . 1]" 1
318 1 34 GLN HG2 1 38 ALA HA 3.179 . 4.442 4.575 4.545 4.627 0.185 9 0 "[ . 1]" 1
319 1 34 GLN HG3 1 36 PRO HA 2.725 . 3.653 3.844 3.791 3.887 0.234 7 0 "[ . 1]" 1
320 1 35 PHE H 1 35 PHE HB3 2.547 . 3.358 3.512 3.477 3.550 0.192 1 0 "[ . 1]" 1
321 1 35 PHE H 1 35 PHE HD1 2.992 . 4.111 2.878 2.407 3.667 . 0 0 "[ . 1]" 1
322 1 36 PRO HA 1 36 PRO HD2 2.736 . 3.671 3.864 3.856 3.881 0.210 9 0 "[ . 1]" 1
323 1 36 PRO HA 1 36 PRO HG2 2.967 . 4.068 3.836 3.815 3.851 . 0 0 "[ . 1]" 1
324 1 36 PRO HB3 1 36 PRO HD2 2.977 . 4.085 3.844 3.835 3.851 . 0 0 "[ . 1]" 1
325 1 36 PRO HB3 1 36 PRO HD3 2.953 . 4.043 3.332 3.307 3.361 . 0 0 "[ . 1]" 1
326 1 36 PRO HD2 1 36 PRO HG2 2.940 . 4.020 2.253 2.247 2.258 . 0 0 "[ . 1]" 1
327 1 36 PRO HD2 1 36 PRO HG3 2.967 . 4.068 2.866 2.859 2.875 . 0 0 "[ . 1]" 1
328 1 36 PRO HD3 1 36 PRO HG2 2.766 . 3.722 2.882 2.877 2.891 . 0 0 "[ . 1]" 1
329 1 36 PRO HD3 1 36 PRO HG3 2.424 . 3.159 2.263 2.258 2.269 . 0 0 "[ . 1]" 1
330 1 36 PRO HG2 1 37 GLY H 2.787 . 3.758 3.404 3.312 3.497 . 0 0 "[ . 1]" 1
331 1 36 PRO HG2 1 38 ALA MB 3.178 . 4.440 3.522 3.387 3.659 . 0 0 "[ . 1]" 1
332 1 37 GLY H 1 37 GLY HA2 2.472 . 3.236 2.428 2.423 2.436 . 0 0 "[ . 1]" 1
333 1 37 GLY H 1 38 ALA H 2.738 . 3.675 2.514 2.268 2.727 . 0 0 "[ . 1]" 1
334 1 37 GLY HA2 1 38 ALA H 2.735 . 3.670 3.396 3.303 3.466 . 0 0 "[ . 1]" 1
335 1 37 GLY HA2 1 77 TYR HD1 3.061 . 4.232 2.586 2.346 3.011 . 0 0 "[ . 1]" 1
336 1 37 GLY HA2 1 77 TYR QE 2.752 . 3.699 2.677 2.338 3.046 . 0 0 "[ . 1]" 1
337 1 38 ALA H 1 38 ALA MB 3.057 . 4.225 2.819 2.734 2.883 . 0 0 "[ . 1]" 1
338 1 38 ALA H 1 39 SER H 2.907 . 3.963 4.066 3.976 4.117 0.154 4 0 "[ . 1]" 1
339 1 38 ALA H 1 77 TYR HD1 3.223 . 4.521 3.650 3.592 3.758 . 0 0 "[ . 1]" 1
340 1 38 ALA H 1 77 TYR QE 2.995 . 4.116 4.255 4.195 4.306 0.190 8 0 "[ . 1]" 1
341 1 38 ALA HA 1 38 ALA MB 2.338 . 3.021 2.104 2.098 2.110 . 0 0 "[ . 1]" 1
342 1 38 ALA HA 1 77 TYR QB 3.175 . 4.435 4.377 4.314 4.427 . 0 0 "[ . 1]" 1
343 1 38 ALA HA 1 77 TYR HD1 3.135 . 4.363 4.416 4.338 4.531 0.168 1 0 "[ . 1]" 1
344 1 38 ALA MB 1 39 SER H 2.481 . 3.251 2.018 1.900 2.105 . 0 0 "[ . 1]" 1
345 1 38 ALA MB 1 40 GLY H 2.649 . 3.526 3.391 3.286 3.458 . 0 0 "[ . 1]" 1
346 1 38 ALA MB 1 77 TYR HA 2.728 . 3.658 3.603 3.516 3.675 0.017 4 0 "[ . 1]" 1
347 1 38 ALA MB 1 77 TYR HD1 3.063 . 4.236 2.133 2.006 2.223 . 0 0 "[ . 1]" 1
348 1 38 ALA MB 1 77 TYR QE 2.953 . 4.043 3.587 3.486 3.727 . 0 0 "[ . 1]" 1
349 1 39 SER H 1 39 SER HA 2.722 . 3.648 2.939 2.929 2.947 . 0 0 "[ . 1]" 1
350 1 39 SER H 1 40 GLY H 2.024 . 2.536 1.742 1.657 1.891 . 0 0 "[ . 1]" 1
351 1 39 SER H 1 40 GLY HA3 2.771 . 3.731 3.996 3.925 4.081 0.350 7 0 "[ . 1]" 1
352 1 39 SER H 1 77 TYR HD1 3.152 . 4.394 3.239 3.161 3.381 . 0 0 "[ . 1]" 1
353 1 39 SER HA 1 39 SER QB 2.231 . 2.759 2.346 2.314 2.396 . 0 0 "[ . 1]" 1
354 1 39 SER HA 1 40 GLY H 2.999 . 4.123 3.309 3.155 3.461 . 0 0 "[ . 1]" 1
355 1 39 SER QB 1 77 TYR QB 2.458 . 3.213 3.018 2.925 3.130 . 0 0 "[ . 1]" 1
356 1 40 GLY H 1 40 GLY HA3 2.608 . 3.458 2.458 2.322 2.587 . 0 0 "[ . 1]" 1
357 1 40 GLY H 1 41 LEU H 3.317 . 4.692 4.427 4.351 4.523 . 0 0 "[ . 1]" 1
358 1 40 GLY H 1 41 LEU MD2 3.089 . 4.282 3.955 3.434 4.072 . 0 0 "[ . 1]" 1
359 1 40 GLY H 1 76 ASN H 3.034 . 4.184 4.132 3.853 4.301 0.117 4 0 "[ . 1]" 1
360 1 40 GLY H 1 76 ASN QB 3.247 . 4.565 4.422 3.542 5.184 0.619 9 2 "[ - +1]" 1
361 1 40 GLY HA3 1 41 LEU H 2.576 . 3.406 2.882 2.641 3.026 . 0 0 "[ . 1]" 1
362 1 40 GLY HA3 1 41 LEU HA 2.927 . 3.998 4.227 4.206 4.256 0.258 5 0 "[ . 1]" 1
363 1 40 GLY HA3 1 76 ASN QB 3.105 . 4.310 2.934 2.262 3.905 . 0 0 "[ . 1]" 1
364 1 40 GLY HA3 1 76 ASN HD21 3.439 . 4.917 3.444 2.888 4.240 . 0 0 "[ . 1]" 1
365 1 40 GLY HA3 1 76 ASN HD22 3.477 . 4.988 3.693 2.284 4.820 . 0 0 "[ . 1]" 1
366 1 41 LEU H 1 41 LEU HB2 2.441 . 3.186 2.660 2.554 2.885 . 0 0 "[ . 1]" 1
367 1 41 LEU H 1 41 LEU MD2 2.830 . 3.831 3.603 3.413 3.822 . 0 0 "[ . 1]" 1
368 1 41 LEU HA 1 41 LEU HB2 2.291 . 2.947 2.825 2.733 2.904 . 0 0 "[ . 1]" 1
369 1 41 LEU HA 1 41 LEU MD1 1.974 . 2.461 2.001 1.794 2.373 . 0 0 "[ . 1]" 1
370 1 41 LEU HA 1 41 LEU MD2 2.591 . 3.430 2.093 1.797 2.319 . 0 0 "[ . 1]" 1
371 1 41 LEU HA 1 42 ARG H 2.531 . 3.332 2.151 2.092 2.218 . 0 0 "[ . 1]" 1
372 1 41 LEU HA 1 76 ASN H 3.072 . 4.251 3.286 3.089 3.514 . 0 0 "[ . 1]" 1
373 1 41 LEU HB2 1 41 LEU MD1 3.181 . 4.446 3.189 3.176 3.198 . 0 0 "[ . 1]" 1
374 1 41 LEU HB2 1 41 LEU MD2 3.114 . 4.326 2.337 2.267 2.409 . 0 0 "[ . 1]" 1
375 1 41 LEU HB2 1 41 LEU HG 2.356 . 3.050 2.473 2.413 2.553 . 0 0 "[ . 1]" 1
376 1 41 LEU HB2 1 54 VAL HA 2.910 . 3.969 4.334 4.095 4.627 0.658 7 4 "[ * .-+ *]" 1
377 1 41 LEU HB3 1 41 LEU MD1 3.208 . 4.494 2.396 2.340 2.437 . 0 0 "[ . 1]" 1
378 1 41 LEU HB3 1 41 LEU MD2 2.953 . 4.043 3.168 3.152 3.181 . 0 0 "[ . 1]" 1
379 1 41 LEU HB3 1 53 GLY QA 2.459 . 3.215 1.837 1.736 1.958 . 0 0 "[ . 1]" 1
380 1 41 LEU MD1 1 42 ARG H 2.931 . 4.005 1.995 1.909 2.110 . 0 0 "[ . 1]" 1
381 1 41 LEU MD2 1 42 ARG H 2.936 . 4.014 3.702 3.328 3.923 . 0 0 "[ . 1]" 1
382 1 41 LEU MD2 1 54 VAL HB 2.949 . 4.036 2.724 2.443 3.037 . 0 0 "[ . 1]" 1
383 1 41 LEU MD2 1 76 ASN H 2.968 . 4.069 3.983 3.822 4.182 0.113 10 0 "[ . 1]" 1
384 1 41 LEU HG 1 53 GLY QA 2.949 . 4.036 3.995 3.881 4.104 0.068 9 0 "[ . 1]" 1
385 1 41 LEU HG 1 73 TYR QD 3.238 . 4.548 4.166 4.001 4.308 . 0 0 "[ . 1]" 1
386 1 42 ARG H 1 42 ARG HA 2.868 . 3.896 2.937 2.928 2.945 . 0 0 "[ . 1]" 1
387 1 42 ARG H 1 42 ARG QG 2.751 . 3.697 2.776 2.655 2.911 . 0 0 "[ . 1]" 1
388 1 42 ARG H 1 43 TYR H 3.434 . 4.908 4.376 4.329 4.431 . 0 0 "[ . 1]" 1
389 1 42 ARG H 1 73 TYR HB3 3.354 . 4.760 3.913 3.677 4.098 . 0 0 "[ . 1]" 1
390 1 42 ARG H 1 74 VAL MG1 2.610 . 3.461 3.436 3.391 3.489 0.028 10 0 "[ . 1]" 1
391 1 42 ARG HA 1 42 ARG QD 3.069 . 4.246 3.978 3.922 4.114 . 0 0 "[ . 1]" 1
392 1 42 ARG HA 1 42 ARG QG 2.073 . 2.610 2.489 2.331 2.569 . 0 0 "[ . 1]" 1
393 1 42 ARG HA 1 43 TYR H 2.589 . 3.427 2.420 2.371 2.504 . 0 0 "[ . 1]" 1
394 1 42 ARG HA 1 53 GLY H 3.382 . 4.812 3.877 3.587 4.078 . 0 0 "[ . 1]" 1
395 1 42 ARG HA 1 53 GLY QA 2.805 . 3.789 2.769 2.420 2.938 . 0 0 "[ . 1]" 1
396 1 42 ARG HA 1 54 VAL MG1 5.472 . 9.214 7.431 7.192 7.660 . 0 0 "[ . 1]" 1
397 1 42 ARG HB2 1 42 ARG QD 3.040 . 4.195 2.302 2.216 2.678 . 0 0 "[ . 1]" 1
398 1 42 ARG HB2 1 74 VAL HB 1.448 . 1.710 1.757 1.587 1.841 0.131 5 0 "[ . 1]" 1
399 1 42 ARG HB3 1 42 ARG QD 3.119 . 3.265 2.391 2.269 2.997 . 0 0 "[ . 1]" 1
400 1 42 ARG QD 1 42 ARG QG 2.133 . 2.702 2.060 1.923 2.080 0.008 10 0 "[ . 1]" 1
401 1 42 ARG QD 1 51 MET HB2 2.460 . 3.217 3.040 2.717 3.996 0.779 6 1 "[ .+ 1]" 1
402 1 42 ARG QD 1 51 MET HB3 2.923 . 3.991 3.815 3.132 4.102 0.111 9 0 "[ . 1]" 1
403 1 42 ARG QD 1 74 VAL MG1 . . 2.491 1.893 1.655 2.338 0.059 1 0 "[ . 1]" 1
404 1 42 ARG QD 1 75 VAL H 3.008 . 4.139 4.297 4.222 4.346 0.207 10 0 "[ . 1]" 1
405 1 42 ARG QD 1 76 ASN QB 2.578 . 3.409 3.197 3.005 3.336 . 0 0 "[ . 1]" 1
406 1 42 ARG HE 1 42 ARG QG . . 4.024 2.412 2.273 2.834 . 0 0 "[ . 1]" 1
407 1 42 ARG QG 1 53 GLY H 3.331 . 4.718 4.786 4.720 4.855 0.137 5 0 "[ . 1]" 1
408 1 42 ARG QG 1 74 VAL H 3.370 . 4.789 4.757 4.708 4.812 0.023 5 0 "[ . 1]" 1
409 1 42 ARG QG 1 76 ASN QB 2.935 . 3.864 2.509 1.941 3.288 . 0 0 "[ . 1]" 1
410 1 42 ARG QG 1 76 ASN HD21 3.183 . 4.450 2.826 1.986 3.349 . 0 0 "[ . 1]" 1
411 1 42 ARG QG 1 76 ASN HD22 2.960 . 4.055 3.403 1.836 4.116 0.061 1 0 "[ . 1]" 1
412 1 43 TYR H 1 43 TYR QB 2.993 . 4.113 3.172 3.142 3.241 . 0 0 "[ . 1]" 1
413 1 43 TYR H 1 43 TYR HD1 3.487 . 5.007 3.093 2.194 4.869 . 0 0 "[ . 1]" 1
414 1 43 TYR H 1 43 TYR QE 3.214 . 4.505 4.389 4.204 4.466 . 0 0 "[ . 1]" 1
415 1 43 TYR H 1 73 TYR QD 3.794 . 5.594 4.707 4.575 4.865 . 0 0 "[ . 1]" 1
416 1 43 TYR HA 1 44 ARG H 2.093 . 2.640 2.316 2.263 2.364 . 0 0 "[ . 1]" 1
417 1 43 TYR HA 1 73 TYR HB3 3.289 . 4.641 4.514 3.990 4.719 0.078 5 0 "[ . 1]" 1
418 1 43 TYR QB 1 72 VAL QG 2.799 . 3.778 3.363 3.248 3.498 . 0 0 "[ . 1]" 1
419 1 43 TYR QB 1 73 TYR HA 3.286 . 4.636 1.823 1.720 1.885 0.216 1 0 "[ . 1]" 1
420 1 43 TYR QB 1 73 TYR HB3 2.535 . 3.338 3.293 3.061 3.363 0.025 9 0 "[ . 1]" 1
421 1 43 TYR QB 1 73 TYR QD 2.962 . 4.059 1.395 1.317 1.463 0.548 9 5 "[ -* * +*]" 1
422 1 43 TYR QB 1 74 VAL HB 3.021 . 4.162 4.232 4.186 4.315 0.153 1 0 "[ . 1]" 1
423 1 43 TYR HD1 1 74 VAL H 3.342 . 4.739 4.887 4.635 5.270 0.531 1 1 "[+ . 1]" 1
424 1 43 TYR QE 1 52 ARG QB 3.292 . 4.059 2.507 1.810 3.816 0.127 7 0 "[ . 1]" 1
425 1 43 TYR QE 1 52 ARG QD 2.853 . 3.870 2.572 1.892 3.315 . 0 0 "[ . 1]" 1
426 1 43 TYR QE 1 52 ARG QG 2.958 . 4.052 2.701 1.821 3.728 0.043 8 0 "[ . 1]" 1
427 1 44 ARG H 1 71 LEU HB3 2.728 . 3.658 3.776 3.673 3.836 0.178 8 0 "[ . 1]" 1
428 1 44 ARG H 1 71 LEU QD 5.502 . 9.286 5.021 4.463 5.169 . 0 0 "[ . 1]" 1
429 1 44 ARG H 1 73 TYR QD 3.034 . 4.184 4.198 4.138 4.252 0.068 10 0 "[ . 1]" 1
430 1 45 ASN HA 1 49 GLN QE 2.935 . 4.011 3.351 2.627 4.151 0.140 10 0 "[ . 1]" 1
431 1 45 ASN HA 1 49 GLN QG 3.285 . 4.634 3.364 1.811 3.939 0.174 1 0 "[ . 1]" 1
432 1 45 ASN QB 1 49 GLN H 3.116 . 4.330 2.841 2.162 4.299 . 0 0 "[ . 1]" 1
433 1 45 ASN QB 1 49 GLN HA 2.949 . 4.028 2.148 1.742 3.036 0.120 6 0 "[ . 1]" 1
434 1 45 ASN QB 1 49 GLN HB2 3.304 . 4.668 4.312 3.765 4.717 0.049 8 0 "[ . 1]" 1
435 1 45 ASN QB 1 49 GLN HB3 3.195 . 4.471 4.317 3.739 4.667 0.196 2 0 "[ . 1]" 1
436 1 45 ASN QB 1 49 GLN QG 3.158 . 4.405 2.868 1.871 3.369 0.040 3 0 "[ . 1]" 1
437 1 46 PRO HA 1 46 PRO HD2 2.722 . 3.648 3.859 3.792 3.888 0.240 4 0 "[ . 1]" 1
438 1 46 PRO HA 1 46 PRO HD3 2.799 . 3.778 3.521 2.907 3.984 0.206 10 0 "[ . 1]" 1
439 1 46 PRO HD2 1 46 PRO HG3 2.760 . 3.712 2.965 2.862 3.001 . 0 0 "[ . 1]" 1
440 1 46 PRO HD3 1 46 PRO HG3 2.514 . 3.304 2.305 2.265 2.330 . 0 0 "[ . 1]" 1
441 1 47 VAL H 1 47 VAL HA 2.383 . 3.093 2.919 2.900 2.934 . 0 0 "[ . 1]" 1
442 1 47 VAL H 1 47 VAL HB 2.275 . 2.922 3.019 2.935 3.108 0.186 2 0 "[ . 1]" 1
443 1 47 VAL H 1 47 VAL QG 2.285 . 2.938 1.858 1.741 1.957 . 0 0 "[ . 1]" 1
444 1 47 VAL H 1 48 SER H 2.493 . 3.270 3.059 2.918 3.246 . 0 0 "[ . 1]" 1
445 1 47 VAL H 1 49 GLN H 2.196 . 2.799 2.979 2.904 3.083 0.284 5 0 "[ . 1]" 1
446 1 47 VAL HA 1 47 VAL HB 2.135 . 2.705 2.329 2.257 2.362 . 0 0 "[ . 1]" 1
447 1 47 VAL HA 1 47 VAL QG 2.215 . 2.829 2.401 2.376 2.469 . 0 0 "[ . 1]" 1
448 1 47 VAL HA 1 48 SER H 2.753 . 3.700 3.466 3.395 3.501 . 0 0 "[ . 1]" 1
449 1 47 VAL HB 1 48 SER H 2.484 . 3.255 3.409 3.315 3.476 0.221 5 0 "[ . 1]" 1
450 1 47 VAL HB 1 48 SER HA 3.597 . 5.214 5.548 5.460 5.621 0.407 1 0 "[ . 1]" 1
451 1 47 VAL HB 1 48 SER QB 8.047 . 16.140 5.018 4.806 5.139 . 0 0 "[ . 1]" 1
452 1 47 VAL QG 1 48 SER H 2.682 . 3.581 1.357 1.150 1.630 0.633 3 5 "[ *+*. * -]" 1
453 1 47 VAL QG 1 48 SER HA 2.670 . 3.561 3.069 2.893 3.206 . 0 0 "[ . 1]" 1
454 1 47 VAL QG 1 48 SER QB 1.903 . 2.356 2.348 2.226 2.406 0.050 6 0 "[ . 1]" 1
455 1 47 VAL QG 1 49 GLN H 3.854 . 5.710 2.566 2.302 2.745 . 0 0 "[ . 1]" 1
456 1 47 VAL QG 1 49 GLN HA 3.190 . 4.462 3.946 3.664 4.192 . 0 0 "[ . 1]" 1
457 1 48 SER H 1 48 SER QB 2.200 . 2.805 2.497 2.184 2.756 . 0 0 "[ . 1]" 1
458 1 48 SER H 1 49 GLN H 2.526 . 3.324 2.180 2.022 2.473 . 0 0 "[ . 1]" 1
459 1 48 SER HA 1 48 SER QB 2.158 . 2.740 2.304 2.179 2.471 . 0 0 "[ . 1]" 1
460 1 49 GLN H 1 49 GLN HA 2.272 . 2.917 2.244 2.224 2.287 . 0 0 "[ . 1]" 1
461 1 49 GLN H 1 49 GLN HB2 2.681 . 3.579 3.163 2.848 3.488 . 0 0 "[ . 1]" 1
462 1 49 GLN H 1 49 GLN QG 2.700 . 3.611 3.121 2.395 3.732 0.121 4 0 "[ . 1]" 1
463 1 49 GLN H 1 50 SER H 2.583 . 3.417 2.826 2.543 2.947 . 0 0 "[ . 1]" 1
464 1 49 GLN HA 1 49 GLN HB3 2.409 . 3.134 2.650 2.349 2.931 . 0 0 "[ . 1]" 1
465 1 49 GLN HA 1 49 GLN QE 3.366 . 4.782 3.524 3.260 3.907 . 0 0 "[ . 1]" 1
466 1 49 GLN HA 1 49 GLN QG 1.941 . 2.412 2.078 1.816 2.350 . 0 0 "[ . 1]" 1
467 1 49 GLN HB3 1 50 SER H 2.751 . 3.697 4.145 3.899 4.380 0.683 5 4 "[ + ** -]" 1
468 1 49 GLN QE 1 49 GLN QG 2.777 . 3.272 2.057 2.001 2.096 . 0 0 "[ . 1]" 1
469 1 49 GLN QG 1 50 SER H 3.272 . 4.610 4.235 4.009 4.311 . 0 0 "[ . 1]" 1
470 1 50 SER H 1 50 SER QB 2.834 . 2.933 2.658 2.400 2.805 . 0 0 "[ . 1]" 1
471 1 50 SER HA 1 50 SER QB 2.077 . 2.616 2.270 2.204 2.428 . 0 0 "[ . 1]" 1
472 1 50 SER QB 1 51 MET H 2.973 . 4.078 3.317 3.102 3.607 . 0 0 "[ . 1]" 1
473 1 50 SER QB 1 52 ARG QB 2.551 . 3.364 2.892 2.292 3.355 . 0 0 "[ . 1]" 1
474 1 50 SER QB 1 52 ARG QD 3.567 . 5.157 3.931 3.523 4.419 . 0 0 "[ . 1]" 1
475 1 51 MET H 1 51 MET HB2 2.817 . 3.809 3.410 2.597 3.629 . 0 0 "[ . 1]" 1
476 1 51 MET H 1 51 MET HB3 2.635 . 3.503 3.021 2.667 3.632 0.129 6 0 "[ . 1]" 1
477 1 51 MET H 1 52 ARG H 3.011 . 4.144 4.097 3.999 4.176 0.032 2 0 "[ . 1]" 1
478 1 51 MET HA 1 51 MET HB2 2.918 . 3.983 2.656 2.487 3.036 . 0 0 "[ . 1]" 1
479 1 51 MET HA 1 51 MET HB3 2.086 . 2.630 2.360 2.262 2.413 . 0 0 "[ . 1]" 1
480 1 51 MET HB3 1 52 ARG H 3.335 . 4.725 4.350 4.046 4.524 . 0 0 "[ . 1]" 1
481 1 52 ARG H 1 52 ARG QB 2.871 . 3.901 2.432 2.283 2.992 . 0 0 "[ . 1]" 1
482 1 52 ARG H 1 52 ARG QD 3.503 . 5.037 4.351 4.209 4.500 . 0 0 "[ . 1]" 1
483 1 52 ARG H 1 53 GLY H 3.037 . 4.190 4.430 4.381 4.462 0.272 6 0 "[ . 1]" 1
484 1 52 ARG QB 1 52 ARG QD . . 2.136 2.031 1.974 2.091 . 0 0 "[ . 1]" 1
485 1 52 ARG QB 1 53 GLY H 2.641 . 3.513 3.295 2.397 3.481 . 0 0 "[ . 1]" 1
486 1 52 ARG QD 1 53 GLY H 3.679 . 5.371 4.180 3.934 4.375 . 0 0 "[ . 1]" 1
487 1 52 ARG QD 1 68 TRP HE1 2.944 . 4.027 3.767 3.195 4.016 . 0 0 "[ . 1]" 1
488 1 52 ARG QG 1 53 GLY QA 2.717 . 3.640 3.345 3.249 3.626 . 0 0 "[ . 1]" 1
489 1 53 GLY H 1 53 GLY QA 2.508 . 3.294 2.260 2.236 2.323 . 0 0 "[ . 1]" 1
490 1 53 GLY H 1 54 VAL H 3.080 . 4.266 4.461 4.429 4.496 0.230 4 0 "[ . 1]" 1
491 1 53 GLY QA 1 54 VAL H 2.786 . 3.756 2.120 2.053 2.176 . 0 0 "[ . 1]" 1
492 1 54 VAL H 1 54 VAL HB 2.476 . 3.242 2.440 2.358 2.517 . 0 0 "[ . 1]" 1
493 1 54 VAL HA 1 54 VAL HB 2.825 . 3.823 3.025 3.016 3.036 . 0 0 "[ . 1]" 1
494 1 54 VAL HA 1 54 VAL MG1 2.268 . 2.911 2.472 2.425 2.532 . 0 0 "[ . 1]" 1
495 1 54 VAL HA 1 54 VAL MG2 2.421 . 3.154 2.329 2.275 2.375 . 0 0 "[ . 1]" 1
496 1 54 VAL HB 1 54 VAL MG1 2.110 . 2.667 2.135 2.130 2.144 . 0 0 "[ . 1]" 1
497 1 54 VAL HB 1 55 ARG H 3.220 . 4.516 4.004 3.867 4.075 . 0 0 "[ . 1]" 1
498 1 55 ARG H 1 55 ARG HA 2.810 . 3.797 2.815 2.770 2.846 . 0 0 "[ . 1]" 1
499 1 55 ARG H 1 55 ARG QB 2.521 . 3.316 2.273 1.897 2.602 . 0 0 "[ . 1]" 1
500 1 55 ARG H 1 55 ARG HD3 3.226 . 4.527 3.667 2.384 4.861 0.334 1 0 "[ . 1]" 1
501 1 55 ARG H 1 55 ARG HG3 2.487 . 3.260 3.119 1.974 4.057 0.797 4 2 "[ +. -1]" 1
502 1 55 ARG H 1 56 LEU H 3.235 . 4.543 4.582 4.560 4.603 0.060 10 0 "[ . 1]" 1
503 1 55 ARG HA 1 55 ARG QB 2.212 . 2.824 2.380 2.262 2.507 . 0 0 "[ . 1]" 1
504 1 55 ARG HA 1 55 ARG HD2 2.772 . 3.732 3.691 3.070 4.587 0.855 6 2 "[- .+ 1]" 1
505 1 55 ARG HA 1 55 ARG HD3 3.086 . 4.276 3.904 2.310 4.461 0.185 8 0 "[ . 1]" 1
506 1 55 ARG HA 1 55 ARG HG2 2.397 . 3.115 2.976 2.109 3.449 0.334 5 0 "[ . 1]" 1
507 1 55 ARG HA 1 56 LEU H 2.296 . 2.955 2.210 2.184 2.234 . 0 0 "[ . 1]" 1
508 1 55 ARG QB 1 55 ARG HD2 2.003 . 2.504 2.371 2.112 2.759 0.255 5 0 "[ . 1]" 1
509 1 55 ARG QB 1 55 ARG HD3 2.038 . 2.557 2.331 2.060 2.739 0.182 4 0 "[ . 1]" 1
510 1 55 ARG QB 1 55 ARG HE 3.135 . 4.363 4.011 3.885 4.162 . 0 0 "[ . 1]" 1
511 1 55 ARG QB 1 55 ARG HG3 2.374 . 2.911 2.371 2.132 2.512 . 0 0 "[ . 1]" 1
512 1 55 ARG QB 1 62 HIS H 2.113 . 2.671 2.638 2.391 2.811 0.140 8 0 "[ . 1]" 1
513 1 55 ARG QB 1 62 HIS HA 5.282 . 8.769 4.312 4.026 4.624 . 0 0 "[ . 1]" 1
514 1 55 ARG HD2 1 55 ARG HG3 2.658 . 3.541 2.444 2.330 2.526 . 0 0 "[ . 1]" 1
515 1 55 ARG HD2 1 62 HIS H 2.969 . 4.071 4.343 4.177 4.867 0.796 5 1 "[ + 1]" 1
516 1 55 ARG HD3 1 55 ARG HE 2.409 . 3.134 2.616 2.268 2.948 . 0 0 "[ . 1]" 1
517 1 55 ARG HD3 1 55 ARG HG3 2.431 . 3.170 2.988 2.977 2.999 . 0 0 "[ . 1]" 1
518 1 55 ARG HE 1 55 ARG HG3 2.854 . 3.872 2.925 2.439 3.489 . 0 0 "[ . 1]" 1
519 1 56 LEU H 1 56 LEU QB 2.503 . 3.286 2.985 2.834 3.131 . 0 0 "[ . 1]" 1
520 1 56 LEU H 1 56 LEU MD1 2.999 . 4.123 2.667 1.665 3.719 0.210 5 0 "[ . 1]" 1
521 1 56 LEU H 1 56 LEU MD2 2.834 . 3.838 3.069 1.919 3.574 . 0 0 "[ . 1]" 1
522 1 56 LEU HA 1 56 LEU QB 2.629 . 3.493 2.155 2.132 2.164 . 0 0 "[ . 1]" 1
523 1 56 LEU HA 1 57 VAL H 2.439 . 3.183 2.139 2.084 2.180 . 0 0 "[ . 1]" 1
524 1 56 LEU HA 1 61 LEU QD 3.366 . 4.782 2.697 2.326 2.873 . 0 0 "[ . 1]" 1
525 1 56 LEU HA 1 61 LEU HG 3.346 . 4.745 4.689 4.361 4.803 0.058 3 0 "[ . 1]" 1
526 1 56 LEU QB 1 56 LEU MD1 3.143 . 4.093 2.256 2.077 2.509 . 0 0 "[ . 1]" 1
527 1 56 LEU QB 1 56 LEU MD2 2.705 . 3.619 2.163 2.065 2.398 . 0 0 "[ . 1]" 1
528 1 56 LEU QB 1 56 LEU HG 2.145 . 2.720 2.327 2.138 2.525 . 0 0 "[ . 1]" 1
529 1 56 LEU QB 1 57 VAL H 2.666 . 3.554 3.336 3.204 3.423 . 0 0 "[ . 1]" 1
530 1 56 LEU QB 1 61 LEU HA 3.133 . 4.360 3.500 3.223 3.676 . 0 0 "[ . 1]" 1
531 1 56 LEU QB 1 61 LEU QD 2.672 . 3.564 2.411 2.175 2.510 . 0 0 "[ . 1]" 1
532 1 57 VAL H 1 57 VAL HA 2.875 . 3.908 2.955 2.949 2.960 . 0 0 "[ . 1]" 1
533 1 57 VAL H 1 57 VAL HB 3.247 . 4.565 2.838 2.767 2.963 . 0 0 "[ . 1]" 1
534 1 57 VAL H 1 57 VAL MG2 2.232 . 2.854 2.579 2.435 2.717 . 0 0 "[ . 1]" 1
535 1 57 VAL H 1 58 GLU H 3.328 . 4.712 4.135 4.090 4.185 . 0 0 "[ . 1]" 1
536 1 57 VAL H 1 60 ILE H 2.245 . 2.875 2.871 2.692 2.920 0.045 9 0 "[ . 1]" 1
537 1 57 VAL H 1 60 ILE MD 3.129 . 4.353 4.274 4.234 4.318 . 0 0 "[ . 1]" 1
538 1 57 VAL H 1 62 HIS H 3.214 . 4.505 4.140 3.844 4.395 . 0 0 "[ . 1]" 1
539 1 57 VAL HA 1 57 VAL HB 2.611 . 3.463 3.014 2.994 3.025 . 0 0 "[ . 1]" 1
540 1 57 VAL HA 1 57 VAL MG1 2.138 . 2.709 2.284 2.218 2.342 . 0 0 "[ . 1]" 1
541 1 57 VAL HA 1 58 GLU H 2.321 . 2.995 2.169 2.143 2.236 . 0 0 "[ . 1]" 1
542 1 57 VAL HB 1 57 VAL MG2 2.003 . 2.504 2.134 2.128 2.139 . 0 0 "[ . 1]" 1
543 1 57 VAL HB 1 60 ILE MD 2.314 . 2.983 2.921 2.897 2.939 . 0 0 "[ . 1]" 1
544 1 57 VAL HB 1 60 ILE HG13 2.710 . 3.628 3.735 3.663 3.796 0.168 4 0 "[ . 1]" 1
545 1 57 VAL MG1 1 58 GLU H 2.352 . 3.044 2.923 2.886 2.970 . 0 0 "[ . 1]" 1
546 1 57 VAL MG1 1 58 GLU QG 2.587 . 3.424 1.665 1.526 1.723 0.224 2 0 "[ . 1]" 1
547 1 57 VAL MG2 1 58 GLU H 4.091 . 6.183 4.305 4.224 4.415 . 0 0 "[ . 1]" 1
548 1 58 GLU H 1 58 GLU HA 2.304 . 2.968 2.281 2.273 2.292 . 0 0 "[ . 1]" 1
549 1 58 GLU H 1 58 GLU HB2 2.759 . 3.710 3.656 3.616 3.686 . 0 0 "[ . 1]" 1
550 1 58 GLU H 1 58 GLU QG 2.440 . 3.184 2.636 2.512 2.869 . 0 0 "[ . 1]" 1
551 1 58 GLU H 1 59 GLY H 2.891 . 3.936 2.842 2.776 2.894 . 0 0 "[ . 1]" 1
552 1 58 GLU HA 1 58 GLU HB3 2.176 . 2.768 2.381 2.346 2.424 . 0 0 "[ . 1]" 1
553 1 58 GLU HA 1 58 GLU QG 2.073 . 2.610 2.599 2.514 3.185 0.575 2 1 "[ + . 1]" 1
554 1 58 GLU HA 1 59 GLY H 2.405 . 3.128 2.863 2.833 2.888 . 0 0 "[ . 1]" 1
555 1 58 GLU HA 1 60 ILE H 3.128 . 4.351 4.320 4.227 4.377 0.026 5 0 "[ . 1]" 1
556 1 58 GLU HA 1 60 ILE MD 6.710 . 12.338 5.435 5.121 5.630 . 0 0 "[ . 1]" 1
557 1 58 GLU HB2 1 60 ILE HG13 2.728 . 3.658 2.807 2.360 3.086 . 0 0 "[ . 1]" 1
558 1 58 GLU QG 1 60 ILE MD 4.925 . 7.957 4.001 3.684 4.135 . 0 0 "[ . 1]" 1
559 1 58 GLU QG 1 60 ILE HG13 3.163 . 4.414 4.329 4.192 4.397 . 0 0 "[ . 1]" 1
560 1 59 GLY H 1 59 GLY HA2 2.327 . 3.004 2.347 2.323 2.377 . 0 0 "[ . 1]" 1
561 1 59 GLY H 1 60 ILE H 2.072 . 2.609 2.520 2.475 2.585 . 0 0 "[ . 1]" 1
562 1 59 GLY HA2 1 60 ILE H 3.019 . 4.158 3.295 3.203 3.344 . 0 0 "[ . 1]" 1
563 1 60 ILE H 1 60 ILE HB 2.397 . 3.115 2.833 2.779 2.907 . 0 0 "[ . 1]" 1
564 1 60 ILE H 1 60 ILE MD 2.914 . 3.976 3.577 3.527 3.626 . 0 0 "[ . 1]" 1
565 1 60 ILE HA 1 60 ILE HB 2.793 . 3.768 2.957 2.942 2.968 . 0 0 "[ . 1]" 1
566 1 60 ILE HA 1 60 ILE HG12 1.988 . 2.482 2.768 2.729 2.831 0.349 6 0 "[ . 1]" 1
567 1 60 ILE HA 1 60 ILE HG13 2.527 . 3.325 3.268 3.243 3.301 . 0 0 "[ . 1]" 1
568 1 60 ILE HA 1 60 ILE MG 2.576 . 3.406 2.164 2.091 2.203 . 0 0 "[ . 1]" 1
569 1 60 ILE HA 1 61 LEU H 2.535 . 3.338 2.239 2.212 2.270 . 0 0 "[ . 1]" 1
570 1 60 ILE HB 1 60 ILE MD 2.236 . 2.861 2.186 2.144 2.220 . 0 0 "[ . 1]" 1
571 1 60 ILE HB 1 60 ILE HG12 2.201 . 2.807 2.974 2.968 2.978 0.171 4 0 "[ . 1]" 1
572 1 60 ILE HB 1 60 ILE HG13 2.802 . 3.784 2.486 2.470 2.508 . 0 0 "[ . 1]" 1
573 1 60 ILE HB 1 60 ILE MG 2.490 . 3.265 2.106 2.099 2.117 . 0 0 "[ . 1]" 1
574 1 60 ILE HB 1 61 LEU H 2.771 . 3.731 3.561 3.505 3.607 . 0 0 "[ . 1]" 1
575 1 60 ILE MD 1 60 ILE HG12 2.025 . 2.537 2.090 2.085 2.093 . 0 0 "[ . 1]" 1
576 1 60 ILE MD 1 60 ILE HG13 2.175 . 2.767 2.081 2.078 2.083 . 0 0 "[ . 1]" 1
577 1 60 ILE MD 1 60 ILE MG 2.071 . 2.607 2.154 2.103 2.185 . 0 0 "[ . 1]" 1
578 1 60 ILE HG12 1 60 ILE MG 2.490 . 3.265 2.195 2.134 2.247 . 0 0 "[ . 1]" 1
579 1 60 ILE HG12 1 61 LEU HA 15.725 . 46.633 6.539 6.510 6.582 . 0 0 "[ . 1]" 1
580 1 60 ILE HG13 1 61 LEU H 5.466 . 9.200 5.048 5.028 5.064 . 0 0 "[ . 1]" 1
581 1 60 ILE MG 1 61 LEU H 2.576 . 3.406 1.896 1.862 1.959 . 0 0 "[ . 1]" 1
582 1 61 LEU HA 1 61 LEU QD 1.866 . 2.301 1.976 1.853 2.075 . 0 0 "[ . 1]" 1
583 1 61 LEU HA 1 61 LEU HG 2.558 . 3.376 2.838 2.774 2.986 . 0 0 "[ . 1]" 1
584 1 62 HIS H 1 62 HIS HA 2.902 . 3.955 2.949 2.943 2.954 . 0 0 "[ . 1]" 1
585 1 62 HIS HB3 1 63 ALA H 2.938 . 4.017 3.904 3.731 4.130 0.113 9 0 "[ . 1]" 1
586 1 63 ALA H 1 63 ALA MB 2.394 . 3.110 2.199 2.092 2.308 . 0 0 "[ . 1]" 1
587 1 63 ALA HA 1 63 ALA MB 2.935 . 4.012 2.124 2.094 2.145 . 0 0 "[ . 1]" 1
588 1 63 ALA MB 1 68 TRP HE1 4.164 . 6.332 5.129 4.378 5.958 . 0 0 "[ . 1]" 1
589 1 64 PRO HA 1 64 PRO HD2 3.080 . 4.265 3.867 3.858 3.876 . 0 0 "[ . 1]" 1
590 1 64 PRO HA 1 64 PRO HD3 2.972 . 4.076 3.877 3.805 3.928 . 0 0 "[ . 1]" 1
591 1 64 PRO HA 1 64 PRO HG3 3.654 . 5.323 3.077 2.987 3.175 . 0 0 "[ . 1]" 1
592 1 64 PRO HA 1 65 ASP H 2.546 . 3.356 2.354 2.250 2.447 . 0 0 "[ . 1]" 1
593 1 64 PRO HB2 1 64 PRO HD2 2.199 . 2.803 2.813 2.787 2.857 0.054 5 0 "[ . 1]" 1
594 1 64 PRO HD2 1 64 PRO HG3 2.554 . 3.370 3.008 3.003 3.013 . 0 0 "[ . 1]" 1
595 1 64 PRO HD2 1 67 GLY H 2.496 . 3.275 3.475 3.383 3.536 0.261 9 0 "[ . 1]" 1
596 1 64 PRO HD3 1 64 PRO HG3 2.323 . 2.998 2.353 2.342 2.363 . 0 0 "[ . 1]" 1
597 1 64 PRO HD3 1 68 TRP HE1 3.205 . 4.489 3.572 2.683 4.558 0.069 4 0 "[ . 1]" 1
598 1 65 ASP H 1 65 ASP HA 2.629 . 3.493 2.718 2.701 2.735 . 0 0 "[ . 1]" 1
599 1 65 ASP H 1 65 ASP HB2 2.553 . 3.368 2.290 2.126 2.502 . 0 0 "[ . 1]" 1
600 1 65 ASP H 1 65 ASP HB3 3.130 . 4.355 3.532 3.462 3.582 . 0 0 "[ . 1]" 1
601 1 65 ASP H 1 66 ALA H 2.710 . 3.628 2.901 2.825 2.988 . 0 0 "[ . 1]" 1
602 1 65 ASP HA 1 65 ASP HB2 2.443 . 3.189 2.978 2.932 3.019 . 0 0 "[ . 1]" 1
603 1 65 ASP HA 1 65 ASP HB3 2.345 . 3.032 2.644 2.521 2.737 . 0 0 "[ . 1]" 1
604 1 65 ASP HB2 1 66 ALA H 2.439 . 3.183 2.571 2.438 2.709 . 0 0 "[ . 1]" 1
605 1 65 ASP HB2 1 66 ALA HA 3.475 . 4.984 4.831 4.711 4.922 . 0 0 "[ . 1]" 1
606 1 65 ASP HB2 1 66 ALA MB 2.835 . 3.840 3.539 3.307 3.674 . 0 0 "[ . 1]" 1
607 1 65 ASP HB2 1 67 GLY H 3.194 . 4.469 4.512 4.385 4.618 0.149 6 0 "[ . 1]" 1
608 1 65 ASP HB3 1 66 ALA MB 2.707 . 3.623 3.358 3.232 3.474 . 0 0 "[ . 1]" 1
609 1 66 ALA H 1 66 ALA HA 2.296 . 2.955 2.917 2.876 2.946 . 0 0 "[ . 1]" 1
610 1 66 ALA H 1 66 ALA MB 2.160 . 2.743 2.353 1.991 2.647 . 0 0 "[ . 1]" 1
611 1 66 ALA H 1 67 GLY HA2 3.541 . 5.108 4.047 3.660 4.413 . 0 0 "[ . 1]" 1
612 1 66 ALA MB 1 67 GLY H 2.858 . 3.879 3.167 2.524 3.600 . 0 0 "[ . 1]" 1
613 1 66 ALA MB 1 67 GLY HA2 3.239 . 4.550 4.250 4.088 4.614 0.064 2 0 "[ . 1]" 1
614 1 67 GLY H 1 67 GLY HA2 2.349 . 3.039 2.563 2.223 2.873 . 0 0 "[ . 1]" 1
615 1 67 GLY H 1 68 TRP H 2.853 . 3.871 3.738 3.315 4.111 0.240 10 0 "[ . 1]" 1
616 1 67 GLY HA2 1 68 TRP H 2.740 . 3.679 2.787 2.056 3.523 . 0 0 "[ . 1]" 1
617 1 67 GLY HA2 1 68 TRP HE3 2.910 . 3.969 4.019 3.668 4.197 0.228 4 0 "[ . 1]" 1
618 1 68 TRP H 1 68 TRP HB2 2.321 . 2.995 3.037 2.756 3.339 0.344 1 0 "[ . 1]" 1
619 1 68 TRP H 1 68 TRP HB3 2.488 . 3.262 3.412 3.209 3.550 0.288 9 0 "[ . 1]" 1
620 1 68 TRP H 1 68 TRP HD1 3.183 . 4.450 3.463 3.169 3.840 . 0 0 "[ . 1]" 1
621 1 68 TRP H 1 68 TRP HE1 2.971 . 4.074 4.264 4.150 4.350 0.276 10 0 "[ . 1]" 1
622 1 68 TRP H 1 68 TRP HE3 2.828 . 3.827 3.197 2.377 3.844 0.017 5 0 "[ . 1]" 1
623 1 68 TRP H 1 69 GLY QA 3.282 . 4.628 4.250 3.960 4.603 . 0 0 "[ . 1]" 1
624 1 68 TRP HB2 1 68 TRP HE3 3.158 . 4.405 3.629 2.666 4.196 . 0 0 "[ . 1]" 1
625 1 68 TRP HB2 1 69 GLY H 2.660 . 3.544 2.028 1.736 2.368 0.040 6 0 "[ . 1]" 1
626 1 68 TRP HB3 1 68 TRP HE3 3.027 . 4.172 3.379 2.532 4.279 0.107 2 0 "[ . 1]" 1
627 1 68 TRP HB3 1 69 GLY H 2.656 . 3.538 3.408 2.634 3.739 0.201 4 0 "[ . 1]" 1
628 1 68 TRP HE3 1 69 GLY H 3.457 . 4.951 3.847 1.852 5.237 0.286 9 0 "[ . 1]" 1
629 1 69 GLY H 1 69 GLY QA 2.146 . 2.722 2.467 2.436 2.490 . 0 0 "[ . 1]" 1
630 1 69 GLY H 1 70 ASN H 2.218 . 2.833 2.861 2.055 3.005 0.172 8 0 "[ . 1]" 1
631 1 69 GLY QA 1 70 ASN H 2.272 . 2.917 2.346 2.185 2.685 . 0 0 "[ . 1]" 1
632 1 69 GLY QA 1 70 ASN QB 3.155 . 4.400 3.787 3.082 4.076 . 0 0 "[ . 1]" 1
633 1 69 GLY QA 1 71 LEU H 3.008 . 4.139 4.078 3.721 4.195 0.056 9 0 "[ . 1]" 1
634 1 70 ASN H 1 70 ASN QB 2.715 . 3.636 3.216 2.998 3.336 . 0 0 "[ . 1]" 1
635 1 70 ASN H 1 70 ASN QD 3.580 . 5.182 4.367 3.955 5.205 0.023 5 0 "[ . 1]" 1
636 1 70 ASN H 1 71 LEU H 2.641 . 3.513 2.231 2.008 3.153 . 0 0 "[ . 1]" 1
637 1 70 ASN H 1 71 LEU QD 3.063 . 4.236 2.159 1.673 3.648 0.217 10 0 "[ . 1]" 1
638 1 70 ASN H 1 71 LEU HG 3.155 . 4.399 4.514 2.971 4.765 0.366 5 0 "[ . 1]" 1
639 1 70 ASN HA 1 70 ASN QB 2.427 . 3.163 2.146 2.118 2.178 . 0 0 "[ . 1]" 1
640 1 70 ASN QB 1 70 ASN QD 2.717 . 3.241 2.107 1.988 2.137 . 0 0 "[ . 1]" 1
641 1 70 ASN QB 1 71 LEU H 3.087 . 4.278 3.224 2.823 3.904 . 0 0 "[ . 1]" 1
642 1 71 LEU H 1 71 LEU HA 2.794 . 3.770 2.412 2.242 2.886 . 0 0 "[ . 1]" 1
643 1 71 LEU H 1 71 LEU HB2 2.575 . 3.404 3.337 2.530 3.632 0.228 4 0 "[ . 1]" 1
644 1 71 LEU H 1 71 LEU HB3 2.747 . 3.690 3.787 3.454 3.937 0.247 10 0 "[ . 1]" 1
645 1 71 LEU H 1 71 LEU QD 2.580 . 3.412 1.908 1.540 2.426 0.208 5 0 "[ . 1]" 1
646 1 71 LEU H 1 72 VAL H 3.087 . 4.278 4.401 4.257 4.514 0.236 1 0 "[ . 1]" 1
647 1 71 LEU HA 1 71 LEU HB2 2.454 . 3.207 2.976 2.963 3.014 . 0 0 "[ . 1]" 1
648 1 71 LEU HA 1 71 LEU HB3 2.568 . 3.392 2.349 2.316 2.402 . 0 0 "[ . 1]" 1
649 1 71 LEU HA 1 71 LEU QD 1.838 . 2.260 2.210 2.131 2.527 0.267 6 0 "[ . 1]" 1
650 1 71 LEU HA 1 72 VAL H 2.147 . 2.723 2.335 2.223 2.517 . 0 0 "[ . 1]" 1
651 1 71 LEU HA 1 72 VAL QG 2.462 . 3.219 3.304 3.069 3.400 0.181 3 0 "[ . 1]" 1
652 1 71 LEU HB2 1 71 LEU QD 1.814 . 2.225 2.144 2.065 2.187 . 0 0 "[ . 1]" 1
653 1 71 LEU HB2 1 71 LEU HG 2.219 . 2.834 2.613 2.540 2.731 . 0 0 "[ . 1]" 1
654 1 71 LEU HB2 1 72 VAL H 2.596 . 3.438 3.170 2.976 3.456 0.018 4 0 "[ . 1]" 1
655 1 71 LEU HB2 1 72 VAL HA 3.139 . 4.371 4.513 4.463 4.606 0.235 4 0 "[ . 1]" 1
656 1 71 LEU HB2 1 73 TYR H 3.041 . 4.197 4.431 4.309 4.597 0.400 10 0 "[ . 1]" 1
657 1 71 LEU HB3 1 71 LEU HG 2.372 . 3.075 2.370 2.255 2.913 . 0 0 "[ . 1]" 1
658 1 71 LEU HB3 1 72 VAL H 2.539 . 3.345 2.268 1.957 2.566 . 0 0 "[ . 1]" 1
659 1 72 VAL H 1 72 VAL HB 2.324 . 2.999 3.050 2.940 3.479 0.480 7 0 "[ . 1]" 1
660 1 72 VAL HA 1 72 VAL HB 1.855 . 2.285 2.348 2.289 2.476 0.191 7 0 "[ . 1]" 1
661 1 72 VAL HA 1 72 VAL QG . . 2.267 2.323 2.206 2.403 0.136 5 0 "[ . 1]" 1
662 1 72 VAL HA 1 73 TYR H 2.424 . 3.159 2.170 2.118 2.242 . 0 0 "[ . 1]" 1
663 1 72 VAL HB 1 72 VAL QG 2.085 . 2.628 1.881 1.877 1.884 . 0 0 "[ . 1]" 1
664 1 72 VAL QG 1 73 TYR H 5.700 . 9.761 3.183 3.027 3.677 . 0 0 "[ . 1]" 1
665 1 72 VAL QG 1 73 TYR QD 3.520 . 5.068 4.384 4.285 4.618 . 0 0 "[ . 1]" 1
666 1 73 TYR H 1 73 TYR HB2 3.145 . 4.381 2.493 2.455 2.520 . 0 0 "[ . 1]" 1
667 1 73 TYR H 1 73 TYR HB3 2.854 . 3.872 3.585 3.570 3.601 . 0 0 "[ . 1]" 1
668 1 73 TYR H 1 73 TYR QD 2.741 . 3.680 3.139 3.072 3.197 . 0 0 "[ . 1]" 1
669 1 73 TYR H 1 73 TYR HE1 3.535 . 5.097 5.217 5.124 5.320 0.223 3 0 "[ . 1]" 1
670 1 73 TYR HA 1 73 TYR HB3 2.894 . 3.941 2.437 2.422 2.463 . 0 0 "[ . 1]" 1
671 1 73 TYR HA 1 74 VAL H 2.589 . 3.427 2.104 2.034 2.137 . 0 0 "[ . 1]" 1
672 1 73 TYR HB2 1 74 VAL H 3.178 . 4.440 3.864 3.771 4.036 . 0 0 "[ . 1]" 1
673 1 73 TYR HB3 1 73 TYR QD 3.384 . 3.640 2.756 2.753 2.764 . 0 0 "[ . 1]" 1
674 1 73 TYR HB3 1 74 VAL H 2.983 . 4.095 2.790 2.690 3.007 . 0 0 "[ . 1]" 1
675 1 74 VAL H 1 74 VAL HB 2.518 . 3.310 2.195 2.150 2.223 . 0 0 "[ . 1]" 1
676 1 74 VAL H 1 74 VAL MG2 2.379 . 3.087 2.964 2.846 3.006 . 0 0 "[ . 1]" 1
677 1 74 VAL HA 1 74 VAL HB 2.923 . 3.991 2.985 2.977 3.000 . 0 0 "[ . 1]" 1
678 1 74 VAL HB 1 74 VAL MG1 2.491 . 3.267 2.141 2.134 2.149 . 0 0 "[ . 1]" 1
679 1 74 VAL HB 1 74 VAL MG2 1.786 . 2.185 2.107 2.101 2.114 . 0 0 "[ . 1]" 1
680 1 75 VAL H 1 75 VAL HA 2.401 . 3.122 2.926 2.904 2.949 . 0 0 "[ . 1]" 1
681 1 75 VAL H 1 75 VAL HB 3.032 . 4.181 2.745 2.351 3.828 . 0 0 "[ . 1]" 1
682 1 75 VAL HA 1 75 VAL MG1 2.319 . 2.991 2.922 2.391 3.230 0.239 6 0 "[ . 1]" 1
683 1 75 VAL HB 1 75 VAL MG2 1.873 . 2.311 2.114 2.105 2.123 . 0 0 "[ . 1]" 1
684 1 76 ASN H 1 76 ASN QB 2.898 . 3.948 2.802 2.469 3.252 . 0 0 "[ . 1]" 1
685 1 76 ASN H 1 77 TYR H 3.279 . 4.623 4.248 4.165 4.292 . 0 0 "[ . 1]" 1
686 1 76 ASN HA 1 76 ASN QB 2.412 . 3.139 2.289 2.151 2.456 . 0 0 "[ . 1]" 1
687 1 76 ASN HA 1 77 TYR H 2.905 . 3.960 2.184 2.131 2.233 . 0 0 "[ . 1]" 1
688 1 76 ASN QB 1 76 ASN HD21 2.866 . 3.631 2.186 2.068 2.537 . 0 0 "[ . 1]" 1
689 1 76 ASN QB 1 76 ASN HD22 3.045 . 3.848 3.211 3.181 3.363 . 0 0 "[ . 1]" 1
690 1 76 ASN QB 1 77 TYR H 2.947 . 4.033 3.566 3.267 3.841 . 0 0 "[ . 1]" 1
691 1 77 TYR H 1 77 TYR QB 2.825 . 3.558 3.292 3.246 3.330 . 0 0 "[ . 1]" 1
692 1 77 TYR H 1 77 TYR HD1 2.774 . 3.736 3.706 3.642 3.792 0.056 5 0 "[ . 1]" 1
693 1 77 TYR H 1 77 TYR QE 3.366 . 4.782 4.359 4.180 4.431 . 0 0 "[ . 1]" 1
694 1 77 TYR HA 1 77 TYR QB . . 2.328 2.122 2.115 2.126 . 0 0 "[ . 1]" 1
695 1 77 TYR HA 1 77 TYR HD1 2.828 . 3.828 3.879 3.841 3.933 0.105 1 0 "[ . 1]" 1
696 1 77 TYR QB 1 77 TYR HD1 2.715 . 3.632 2.333 2.293 2.362 . 0 0 "[ . 1]" 1
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