NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
576104 |
2mm3   |
19843 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2mm3
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 1859
_Distance_constraint_stats_list.Viol_count 972
_Distance_constraint_stats_list.Viol_total 2788.273
_Distance_constraint_stats_list.Viol_max 2.143
_Distance_constraint_stats_list.Viol_rms 0.1010
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0150
_Distance_constraint_stats_list.Viol_average_violations_only 0.2869
_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 1 ALA 0.098 0.056 7 0 "[ . 1]"
1 2 PHE 4.934 1.074 6 4 "[ *+ -*1]"
1 3 THR 0.023 0.023 8 0 "[ . 1]"
1 4 GLY 0.000 0.000 . 0 "[ . 1]"
1 5 LYS 1.746 0.878 2 1 "[ + . 1]"
1 6 PHE 1.343 0.398 1 0 "[ . 1]"
1 7 GLU 0.362 0.100 10 0 "[ . 1]"
1 8 MET 2.134 0.362 3 0 "[ . 1]"
1 9 GLU 4.003 0.842 8 1 "[ . + 1]"
1 10 SER 0.732 0.445 7 0 "[ . 1]"
1 11 GLU 3.828 0.835 5 2 "[ + -1]"
1 12 LYS 4.235 1.436 8 2 "[ - . + 1]"
1 13 ASN 2.292 0.527 6 1 "[ .+ 1]"
1 14 TYR 0.672 0.248 1 0 "[ . 1]"
1 15 ASP 3.464 0.686 4 3 "[ +* - 1]"
1 16 GLU 5.658 0.779 4 6 "[**-+* * 1]"
1 17 PHE 2.705 1.506 3 1 "[ + . 1]"
1 18 MET 3.695 0.594 4 2 "[ +. - 1]"
1 19 LYS 13.520 1.738 9 7 "[*- *.***+1]"
1 20 LEU 1.268 0.217 9 0 "[ . 1]"
1 21 LEU 1.851 0.858 10 1 "[ . +]"
1 22 GLY 0.411 0.111 8 0 "[ . 1]"
1 23 ILE 4.029 0.858 10 3 "[ -.* +]"
1 24 SER 0.000 0.000 . 0 "[ . 1]"
1 25 SER 0.246 0.147 1 0 "[ . 1]"
1 26 ASP 0.574 0.181 5 0 "[ . 1]"
1 27 VAL 1.035 0.403 5 0 "[ . 1]"
1 28 ILE 0.549 0.242 1 0 "[ . 1]"
1 29 GLU 5.509 1.160 1 3 "[+ - . * 1]"
1 30 LYS 5.396 0.538 7 1 "[ . + 1]"
1 31 ALA 0.595 0.413 9 0 "[ . 1]"
1 32 ARG 5.501 0.458 10 0 "[ . 1]"
1 33 ASN 0.016 0.016 5 0 "[ . 1]"
1 34 PHE 5.906 1.811 5 1 "[ + 1]"
1 35 LYS 2.705 0.484 10 0 "[ . 1]"
1 36 ILE 3.858 1.811 5 1 "[ + 1]"
1 37 VAL 0.000 0.000 . 0 "[ . 1]"
1 38 THR 0.888 0.398 1 0 "[ . 1]"
1 39 GLU 2.126 0.527 2 1 "[ + . 1]"
1 40 VAL 0.155 0.140 7 0 "[ . 1]"
1 41 GLN 2.031 0.392 6 0 "[ . 1]"
1 42 GLN 13.887 1.704 6 6 "[ *-+***1]"
1 43 ASP 2.653 0.677 2 2 "[ +- . 1]"
1 44 GLY 9.507 1.704 6 5 "[ *-+** 1]"
1 45 GLN 2.800 0.881 3 3 "[ +*- 1]"
1 46 ASP 0.819 0.340 6 0 "[ . 1]"
1 47 PHE 1.516 0.456 10 0 "[ . 1]"
1 48 THR 0.000 0.000 . 0 "[ . 1]"
1 49 TRP 4.369 0.834 2 1 "[ + . 1]"
1 50 SER 1.624 0.399 3 0 "[ . 1]"
1 51 GLN 3.299 0.834 2 1 "[ + . 1]"
1 52 HIS 0.000 0.000 . 0 "[ . 1]"
1 53 TYR 3.479 0.695 6 4 "[**- .+ 1]"
1 54 SER 4.203 1.021 5 2 "[ + -]"
1 55 GLY 0.513 0.172 4 0 "[ . 1]"
1 56 GLY 0.000 0.000 . 0 "[ . 1]"
1 57 HIS 4.906 1.176 9 2 "[ - +1]"
1 58 THR 0.240 0.072 8 0 "[ . 1]"
1 59 MET 1.541 0.242 4 0 "[ . 1]"
1 60 THR 1.795 1.176 9 1 "[ . +1]"
1 61 ASN 3.390 0.619 9 1 "[ . +1]"
1 62 LYS 12.134 1.701 7 7 "[ **-.*+ **]"
1 63 PHE 1.206 0.328 3 0 "[ . 1]"
1 64 THR 1.177 0.304 6 0 "[ . 1]"
1 65 VAL 0.000 0.000 . 0 "[ . 1]"
1 66 GLY 0.000 0.000 . 0 "[ . 1]"
1 67 LYS 4.637 0.921 8 2 "[ -. + 1]"
1 68 GLU 3.289 0.779 2 2 "[ + - 1]"
1 69 SER 1.085 0.306 2 0 "[ . 1]"
1 70 ASN 5.239 0.921 8 3 "[ * - + 1]"
1 71 ILE 3.657 0.685 5 3 "[ *+- 1]"
1 72 GLN 1.769 0.453 5 0 "[ . 1]"
1 73 THR 2.644 0.401 3 0 "[ . 1]"
1 74 MET 2.716 0.937 9 3 "[ . -*+1]"
1 75 GLY 0.000 0.000 . 0 "[ . 1]"
1 76 GLY 2.647 0.401 3 0 "[ . 1]"
1 77 LYS 4.562 0.866 4 1 "[ +. 1]"
1 78 THR 1.343 0.866 4 1 "[ +. 1]"
1 79 PHE 7.286 1.251 10 1 "[ . +]"
1 80 LYS 20.631 1.863 1 9 "[+ *-******]"
1 81 ALA 0.428 0.428 6 0 "[ . 1]"
1 82 THR 0.000 0.000 . 0 "[ . 1]"
1 83 VAL 9.143 1.289 6 10 [**-**+****]
1 84 GLN 17.564 1.289 6 10 [**-**+****]
1 85 MET 4.028 1.048 2 3 "[ + - *1]"
1 86 GLU 9.439 1.048 2 6 "[*+ ** - *1]"
1 87 GLY 0.000 0.000 . 0 "[ . 1]"
1 88 GLY 0.856 0.359 9 0 "[ . 1]"
1 89 LYS 12.912 2.143 8 5 "[ * *. -+*1]"
1 90 LEU 1.234 0.879 4 1 "[ +. 1]"
1 91 VAL 1.079 0.219 3 0 "[ . 1]"
1 92 VAL 2.642 1.796 10 1 "[ . +]"
1 93 ASN 18.428 1.226 6 10 [*****+*-**]
1 94 PHE 4.831 1.796 10 1 "[ . +]"
1 95 PRO 2.695 0.319 3 0 "[ . 1]"
1 96 ASN 1.021 0.303 4 0 "[ . 1]"
1 97 TYR 1.482 0.476 4 0 "[ . 1]"
1 98 HIS 3.470 0.465 8 0 "[ . 1]"
1 99 GLN 2.569 0.333 7 0 "[ . 1]"
1 100 THR 5.242 2.143 8 3 "[ *. -+ 1]"
1 101 SER 1.717 0.879 4 1 "[ +. 1]"
1 102 GLU 4.281 1.048 2 3 "[ + - *1]"
1 103 ILE 3.119 0.941 1 3 "[+ - .* 1]"
1 104 VAL 0.000 0.000 . 0 "[ . 1]"
1 105 GLY 0.190 0.113 1 0 "[ . 1]"
1 106 ASP 1.153 0.191 3 0 "[ . 1]"
1 107 LYS 1.809 1.059 5 1 "[ + 1]"
1 108 LEU 0.234 0.186 9 0 "[ . 1]"
1 109 VAL 0.299 0.245 5 0 "[ . 1]"
1 110 GLU 4.650 1.048 2 3 "[ + - *1]"
1 111 VAL 0.000 0.000 . 0 "[ . 1]"
1 112 SER 0.516 0.220 10 0 "[ . 1]"
1 113 THR 3.137 0.465 8 0 "[ . 1]"
1 114 ILE 2.297 1.506 3 1 "[ + . 1]"
1 115 GLY 0.162 0.162 2 0 "[ . 1]"
1 116 GLY 0.000 0.000 . 0 "[ . 1]"
1 117 VAL 1.736 0.506 6 1 "[ .+ 1]"
1 118 THR 1.284 0.300 3 0 "[ . 1]"
1 119 TYR 2.712 0.527 6 1 "[ .+ 1]"
1 120 GLU 0.177 0.161 5 0 "[ . 1]"
1 121 ARG 0.910 0.250 6 0 "[ . 1]"
1 122 VAL 2.992 0.835 5 2 "[ + -]"
1 123 SER 1.684 0.343 6 0 "[ . 1]"
1 124 LYS 1.006 0.454 3 0 "[ . 1]"
1 125 ARG 2.747 0.960 1 1 "[+ . 1]"
1 126 LEU 1.837 0.299 10 0 "[ . 1]"
1 127 ALA 0.218 0.171 6 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 92 VAL H 1 98 HIS HE1 4.690 . 7.392 4.828 4.357 5.706 . 0 0 "[ . 1]" 1
2 1 57 HIS HE1 1 58 THR H 4.897 2.369 7.425 4.980 4.427 5.581 . 0 0 "[ . 1]" 1
3 1 57 HIS HE1 1 60 THR H 4.956 . 8.026 7.090 5.555 9.202 1.176 9 1 "[ . +1]" 1
4 1 53 TYR QB 1 53 TYR QD 2.761 . 3.553 2.203 2.142 2.273 . 0 0 "[ . 1]" 1
5 1 53 TYR QD 1 59 MET QG 3.761 . 5.864 4.024 2.941 5.211 . 0 0 "[ . 1]" 1
6 1 53 TYR H 1 53 TYR QD 2.879 . 3.915 2.814 2.592 3.266 . 0 0 "[ . 1]" 1
7 1 53 TYR QD 1 54 SER H 3.957 . 5.938 4.416 2.939 5.006 . 0 0 "[ . 1]" 1
8 1 53 TYR QD 1 59 MET H 4.062 . 6.125 5.297 4.228 5.633 . 0 0 "[ . 1]" 1
9 1 14 TYR QD 1 18 MET HG2 3.940 . 5.895 4.702 3.917 5.672 . 0 0 "[ . 1]" 1
10 1 14 TYR HB2 1 14 TYR QD 2.925 . 3.994 2.352 2.222 2.499 . 0 0 "[ . 1]" 1
11 1 14 TYR QD 1 32 ARG HB3 3.965 2.193 5.737 3.668 2.996 4.149 . 0 0 "[ . 1]" 1
12 1 14 TYR HB3 1 14 TYR QD 2.726 . 3.655 2.470 2.404 2.626 . 0 0 "[ . 1]" 1
13 1 14 TYR QD 1 15 ASP HB2 4.514 . 7.061 4.488 3.318 5.092 . 0 0 "[ . 1]" 1
14 1 14 TYR HA 1 14 TYR QD 4.165 . 6.333 3.774 3.690 3.835 . 0 0 "[ . 1]" 1
15 1 11 GLU QG 1 14 TYR QD 4.034 . 6.068 3.507 2.443 4.218 . 0 0 "[ . 1]" 1
16 1 14 TYR HB3 1 119 TYR QD 3.864 2.613 5.115 3.958 3.452 4.486 . 0 0 "[ . 1]" 1
17 1 119 TYR HB3 1 119 TYR QD 2.646 . 3.521 2.491 2.355 2.667 . 0 0 "[ . 1]" 1
18 1 112 SER HB3 1 119 TYR QD 4.298 . 6.607 4.095 2.639 6.270 . 0 0 "[ . 1]" 1
19 1 70 ASN H 1 79 PHE QD 5.724 3.990 7.458 6.496 5.781 7.135 . 0 0 "[ . 1]" 1
20 1 79 PHE QD 1 81 ALA H 3.965 2.413 5.517 4.510 3.546 5.945 0.428 6 0 "[ . 1]" 1
21 1 71 ILE H 1 79 PHE QD 4.566 . 7.141 4.690 4.130 5.602 . 0 0 "[ . 1]" 1
22 1 79 PHE HB2 1 79 PHE QD 2.424 . 3.158 2.579 2.297 2.744 . 0 0 "[ . 1]" 1
23 1 6 PHE QD 1 39 GLU QG 5.427 2.959 7.895 5.508 4.742 6.668 . 0 0 "[ . 1]" 1
24 1 94 PHE QD 1 97 TYR QD 3.939 . 6.505 2.669 2.038 4.487 . 0 0 "[ . 1]" 1
25 1 97 TYR QD 1 114 ILE QG 2.682 . 3.652 1.972 1.582 2.323 0.130 4 0 "[ . 1]" 1
26 1 97 TYR QD 1 98 HIS H 2.942 2.134 3.750 2.857 2.528 3.259 . 0 0 "[ . 1]" 1
27 1 97 TYR QD 1 99 GLN QG 4.582 . 7.185 5.238 4.037 5.968 . 0 0 "[ . 1]" 1
28 1 94 PHE QD 1 97 TYR HB2 3.843 2.333 5.353 4.304 3.722 5.006 . 0 0 "[ . 1]" 1
29 1 94 PHE HB3 1 94 PHE QD 2.679 . 3.576 2.387 2.264 2.561 . 0 0 "[ . 1]" 1
30 1 2 PHE H 1 2 PHE QD 2.935 . 4.012 2.680 2.292 3.375 . 0 0 "[ . 1]" 1
31 1 94 PHE QD 1 95 PRO HD3 3.795 . 5.790 3.566 2.730 4.210 . 0 0 "[ . 1]" 1
32 1 2 PHE QD 1 42 GLN QE 4.565 2.979 6.151 2.919 1.905 3.860 1.074 6 4 "[ *+ -*1]" 1
33 1 2 PHE HB3 1 2 PHE QD 2.722 . 3.648 2.415 2.185 2.683 . 0 0 "[ . 1]" 1
34 1 34 PHE QB 1 34 PHE QD 2.726 . 3.499 2.160 2.080 2.195 . 0 0 "[ . 1]" 1
35 1 13 ASN HD21 1 17 PHE QD 4.006 . 6.022 3.561 2.231 5.630 . 0 0 "[ . 1]" 1
36 1 17 PHE HB3 1 17 PHE QD 2.503 . 3.286 2.456 2.347 2.527 . 0 0 "[ . 1]" 1
37 1 34 PHE QE 1 54 SER H 3.473 . 5.078 3.937 2.577 6.099 1.021 5 1 "[ + 1]" 1
38 1 63 PHE QD 1 64 THR H 4.037 . 6.074 3.152 2.663 3.881 . 0 0 "[ . 1]" 1
39 1 61 ASN HB3 1 63 PHE QD 4.180 . 6.364 3.942 3.452 4.836 . 0 0 "[ . 1]" 1
40 1 63 PHE HB2 1 63 PHE QD 3.053 . 4.218 2.341 2.256 2.473 . 0 0 "[ . 1]" 1
41 1 63 PHE H 1 63 PHE QD 2.853 . 3.871 2.850 2.348 3.272 . 0 0 "[ . 1]" 1
42 1 63 PHE HB3 1 63 PHE QD 2.817 . 3.809 2.506 2.381 2.646 . 0 0 "[ . 1]" 1
43 1 2 PHE QE 1 103 ILE H 3.978 . 5.956 3.111 2.584 3.722 . 0 0 "[ . 1]" 1
44 1 2 PHE HZ 1 90 LEU H 3.417 . 4.840 3.580 2.883 4.422 . 0 0 "[ . 1]" 1
45 1 2 PHE QE 1 90 LEU H 4.460 . 6.988 4.021 3.212 4.479 . 0 0 "[ . 1]" 1
46 1 2 PHE QE 1 90 LEU HG 3.641 . 5.313 3.123 2.219 4.746 . 0 0 "[ . 1]" 1
47 1 92 VAL HB 1 94 PHE QE 3.737 . 5.742 3.311 2.206 6.587 0.845 10 1 "[ . +]" 1
48 1 94 PHE QE 1 97 TYR QD 4.217 . 6.464 3.379 2.467 5.979 . 0 0 "[ . 1]" 1
49 1 79 PHE HZ 1 94 PHE QE 4.563 . 7.261 3.988 3.216 6.271 . 0 0 "[ . 1]" 1
50 1 79 PHE QE 1 94 PHE HZ 3.810 . 5.897 3.636 2.739 5.301 . 0 0 "[ . 1]" 1
51 1 79 PHE HB3 1 79 PHE QE 4.230 . 6.466 4.472 4.447 4.515 . 0 0 "[ . 1]" 1
52 1 79 PHE QE 1 94 PHE QE 3.861 . 5.930 3.512 2.845 4.503 . 0 0 "[ . 1]" 1
53 1 17 PHE HZ 1 112 SER HB2 2.790 . 4.063 3.048 2.330 3.899 . 0 0 "[ . 1]" 1
54 1 17 PHE HZ 1 112 SER HB3 2.541 . 4.048 2.509 2.112 3.732 . 0 0 "[ . 1]" 1
55 1 17 PHE HZ 1 119 TYR HB2 3.920 . 5.916 4.661 3.566 5.690 . 0 0 "[ . 1]" 1
56 1 17 PHE HZ 1 114 ILE QG 3.456 . 5.137 3.638 2.591 6.643 1.506 3 1 "[ + . 1]" 1
57 1 17 PHE HZ 1 97 TYR QE 2.812 . 3.939 2.568 2.084 3.609 . 0 0 "[ . 1]" 1
58 1 79 PHE QD 1 94 PHE HZ 3.346 . 5.046 3.016 1.645 3.404 0.001 1 0 "[ . 1]" 1
59 1 49 TRP HE3 1 63 PHE HZ 4.385 . 6.883 5.140 2.476 7.167 0.284 2 0 "[ . 1]" 1
60 1 79 PHE HZ 1 94 PHE HZ 4.793 3.518 6.068 4.703 3.935 7.319 1.251 10 1 "[ . +]" 1
61 1 49 TRP HD1 1 51 GLN QE 4.128 2.756 5.500 3.309 2.302 4.830 0.454 6 0 "[ . 1]" 1
62 1 49 TRP QB 1 49 TRP HD1 3.049 . 4.211 3.058 2.805 3.260 . 0 0 "[ . 1]" 1
63 1 49 TRP HD1 1 50 SER HB3 4.653 . 7.360 5.567 4.734 6.273 . 0 0 "[ . 1]" 1
64 1 98 HIS H 1 98 HIS HD2 5.238 . 8.667 4.898 4.553 5.213 . 0 0 "[ . 1]" 1
65 1 53 TYR QE 1 59 MET HB2 4.911 2.778 7.044 5.219 4.066 5.854 . 0 0 "[ . 1]" 1
66 1 53 TYR QE 1 59 MET QG 3.850 . 5.606 3.465 2.613 4.144 . 0 0 "[ . 1]" 1
67 1 53 TYR QE 1 57 HIS HD2 4.106 . 6.472 5.446 4.722 6.643 0.171 7 0 "[ . 1]" 1
68 1 97 TYR QE 1 99 GLN H 4.996 3.638 6.354 4.777 4.203 5.135 . 0 0 "[ . 1]" 1
69 1 14 TYR H 1 119 TYR QE 4.052 2.805 5.299 3.831 3.068 4.366 . 0 0 "[ . 1]" 1
70 1 14 TYR QD 1 119 TYR QE 4.950 3.462 6.438 4.206 3.821 4.458 . 0 0 "[ . 1]" 1
71 1 14 TYR HB2 1 119 TYR QE 3.552 2.005 5.099 3.040 2.622 3.699 . 0 0 "[ . 1]" 1
72 1 14 TYR HB3 1 119 TYR QE 3.839 2.268 5.410 2.443 2.020 2.928 0.248 1 0 "[ . 1]" 1
73 1 64 THR HA 1 64 THR HB 2.929 . 4.001 3.006 2.978 3.083 . 0 0 "[ . 1]" 1
74 1 113 THR H 1 113 THR HB 2.729 . 3.660 2.841 2.608 3.038 . 0 0 "[ . 1]" 1
75 1 98 HIS QB 1 113 THR HB 3.670 2.567 4.773 2.283 2.102 2.516 0.465 8 0 "[ . 1]" 1
76 1 98 HIS HD2 1 113 THR HB 3.559 2.232 4.886 3.129 2.587 4.244 . 0 0 "[ . 1]" 1
77 1 113 THR HB 1 114 ILE H 4.240 . 6.952 4.195 3.876 4.414 . 0 0 "[ . 1]" 1
78 1 64 THR HB 1 68 GLU H 4.503 . 7.038 5.964 5.060 6.715 . 0 0 "[ . 1]" 1
79 1 89 LYS QG 1 100 THR HB 4.313 . 6.685 4.631 2.948 5.524 . 0 0 "[ . 1]" 1
80 1 89 LYS QB 1 100 THR HB 3.137 . 4.367 4.186 2.710 6.510 2.143 8 2 "[ -. + 1]" 1
81 1 100 THR HA 1 100 THR HB 2.671 . 3.563 2.861 2.707 3.048 . 0 0 "[ . 1]" 1
82 1 78 THR HA 1 78 THR HB 2.515 . 3.305 3.002 2.889 3.158 . 0 0 "[ . 1]" 1
83 1 78 THR HB 1 79 PHE H 4.014 2.079 5.949 4.102 3.807 4.296 . 0 0 "[ . 1]" 1
84 1 118 THR H 1 118 THR HB 2.250 . 2.883 2.597 2.182 2.940 0.057 7 0 "[ . 1]" 1
85 1 6 PHE HB2 1 38 THR HB 3.565 . 5.291 2.789 2.053 4.564 . 0 0 "[ . 1]" 1
86 1 6 PHE QD 1 38 THR HB 3.473 . 5.005 3.273 2.166 4.788 . 0 0 "[ . 1]" 1
87 1 3 THR HB 1 4 GLY H 3.258 . 4.579 4.116 3.913 4.340 . 0 0 "[ . 1]" 1
88 1 3 THR H 1 3 THR HB 2.761 . 3.714 2.690 2.480 2.925 . 0 0 "[ . 1]" 1
89 1 41 GLN QB 1 48 THR HB 3.336 . 4.818 2.437 2.196 2.896 . 0 0 "[ . 1]" 1
90 1 3 THR HB 1 4 GLY HA2 4.905 2.369 7.441 4.935 4.669 5.200 . 0 0 "[ . 1]" 1
91 1 48 THR H 1 48 THR HB 2.502 . 3.284 2.723 2.610 2.952 . 0 0 "[ . 1]" 1
92 1 73 THR HB 1 77 LYS H 3.244 2.086 4.402 3.913 3.816 4.109 . 0 0 "[ . 1]" 1
93 1 3 THR HB 1 42 GLN H 4.237 . 6.481 4.407 3.921 5.231 . 0 0 "[ . 1]" 1
94 1 48 THR HB 1 62 LYS QD 4.243 . 6.493 5.511 4.690 6.474 . 0 0 "[ . 1]" 1
95 1 73 THR HB 1 74 MET QG 4.018 . 6.146 4.689 3.856 5.645 . 0 0 "[ . 1]" 1
96 1 73 THR HB 1 77 LYS QD 4.226 . 6.458 5.613 4.588 6.458 . 0 0 "[ . 1]" 1
97 1 82 THR HB 1 83 VAL H 3.862 2.090 5.634 4.381 4.170 4.546 . 0 0 "[ . 1]" 1
98 1 27 VAL HA 1 30 LYS HA 4.363 . 6.777 5.603 5.210 6.030 . 0 0 "[ . 1]" 1
99 1 27 VAL HA 1 30 LYS QE 3.974 . 5.955 4.425 2.447 5.209 . 0 0 "[ . 1]" 1
100 1 112 SER HB2 1 113 THR H 3.556 . 5.136 3.855 2.392 4.566 . 0 0 "[ . 1]" 1
101 1 112 SER HB2 1 119 TYR QD 4.419 . 6.860 3.506 2.433 5.147 . 0 0 "[ . 1]" 1
102 1 97 TYR QE 1 112 SER HB2 4.166 . 6.419 4.392 2.560 5.799 . 0 0 "[ . 1]" 1
103 1 112 SER HB2 1 119 TYR HB2 4.294 . 6.652 4.702 3.198 6.015 . 0 0 "[ . 1]" 1
104 1 27 VAL HA 1 31 ALA H 3.730 2.198 5.262 4.020 3.684 4.276 . 0 0 "[ . 1]" 1
105 1 26 ASP HB2 1 27 VAL HA 4.512 . 7.057 5.728 5.580 5.856 . 0 0 "[ . 1]" 1
106 1 27 VAL HA 1 27 VAL HB 2.380 . 3.088 2.873 2.523 3.034 . 0 0 "[ . 1]" 1
107 1 27 VAL HA 1 30 LYS QB 3.812 2.144 5.480 3.105 2.545 4.346 . 0 0 "[ . 1]" 1
108 1 27 VAL HA 1 30 LYS QG 2.935 2.004 3.888 2.723 2.239 3.315 . 0 0 "[ . 1]" 1
109 1 112 SER HB3 1 119 TYR HB2 4.588 . 7.360 4.971 2.540 6.733 . 0 0 "[ . 1]" 1
110 1 97 TYR QE 1 112 SER HB3 4.386 . 6.819 3.609 2.357 4.967 . 0 0 "[ . 1]" 1
111 1 112 SER HB3 1 113 THR H 3.749 . 5.536 3.213 2.376 3.897 . 0 0 "[ . 1]" 1
112 1 112 SER HB3 1 119 TYR H 3.902 2.056 5.748 4.248 2.908 5.426 . 0 0 "[ . 1]" 1
113 1 95 PRO HA 1 95 PRO HD3 3.155 . 4.399 3.510 3.277 3.657 . 0 0 "[ . 1]" 1
114 1 95 PRO HA 1 95 PRO HB3 2.532 . 3.334 2.409 2.355 2.601 . 0 0 "[ . 1]" 1
115 1 95 PRO HA 1 95 PRO HG2 3.718 . 5.446 3.917 3.841 4.157 . 0 0 "[ . 1]" 1
116 1 95 PRO HA 1 95 PRO HB2 2.508 . 3.294 3.061 3.026 3.206 . 0 0 "[ . 1]" 1
117 1 90 LEU HB3 1 101 SER QB 4.000 2.081 5.731 4.521 3.689 6.610 0.879 4 1 "[ +. 1]" 1
118 1 90 LEU HB2 1 101 SER QB 4.628 2.098 7.158 3.175 2.151 5.482 . 0 0 "[ . 1]" 1
119 1 6 PHE HB2 1 123 SER HB2 4.793 . 7.768 4.839 3.683 5.788 . 0 0 "[ . 1]" 1
120 1 108 LEU HB2 1 123 SER HB3 4.217 2.103 6.331 3.281 2.300 5.712 . 0 0 "[ . 1]" 1
121 1 39 GLU QG 1 50 SER HB2 3.932 . 5.873 4.683 3.871 6.272 0.399 3 0 "[ . 1]" 1
122 1 28 ILE HA 1 28 ILE HG12 2.658 . 3.541 2.719 2.354 3.315 . 0 0 "[ . 1]" 1
123 1 101 SER QB 1 102 GLU H 4.143 2.298 5.162 3.263 2.816 3.864 . 0 0 "[ . 1]" 1
124 1 49 TRP HH2 1 101 SER QB 4.500 . 7.125 4.531 2.461 5.454 . 0 0 "[ . 1]" 1
125 1 101 SER H 1 101 SER QB 2.944 . 4.028 2.636 2.337 3.139 . 0 0 "[ . 1]" 1
126 1 50 SER H 1 50 SER HB3 2.717 . 3.640 3.467 2.430 3.853 0.213 4 0 "[ . 1]" 1
127 1 50 SER HB3 1 51 GLN H 4.105 2.196 6.014 3.543 2.768 4.370 . 0 0 "[ . 1]" 1
128 1 95 PRO HA 1 96 ASN HA 3.466 2.013 4.919 4.560 4.385 4.648 . 0 0 "[ . 1]" 1
129 1 108 LEU HB3 1 123 SER HB2 3.811 . 5.627 4.429 2.494 5.618 . 0 0 "[ . 1]" 1
130 1 123 SER HA 1 123 SER HB3 2.958 . 4.052 2.942 2.455 3.116 . 0 0 "[ . 1]" 1
131 1 65 VAL HA 1 66 GLY H 2.220 . 2.836 2.276 2.212 2.371 . 0 0 "[ . 1]" 1
132 1 65 VAL HA 1 65 VAL HB 2.101 . 2.653 2.524 2.427 2.615 . 0 0 "[ . 1]" 1
133 1 65 VAL HA 1 67 LYS H 3.446 . 4.931 3.149 3.001 3.445 . 0 0 "[ . 1]" 1
134 1 123 SER HB2 1 124 LYS H 3.719 2.180 5.258 3.847 3.582 4.230 . 0 0 "[ . 1]" 1
135 1 50 SER HB2 1 51 GLN H 3.242 . 5.114 4.201 3.993 4.417 . 0 0 "[ . 1]" 1
136 1 18 MET HG2 1 28 ILE HA 4.499 . 7.280 5.056 3.604 5.752 . 0 0 "[ . 1]" 1
137 1 6 PHE HB2 1 123 SER HB3 4.596 2.054 7.138 4.313 3.140 5.075 . 0 0 "[ . 1]" 1
138 1 24 SER QB 1 25 SER H 2.920 . 3.930 2.350 1.984 2.696 . 0 0 "[ . 1]" 1
139 1 24 SER QB 1 26 ASP H 3.899 . 5.879 3.754 3.298 4.153 . 0 0 "[ . 1]" 1
140 1 24 SER H 1 24 SER QB 2.707 . 3.623 2.561 2.369 2.822 . 0 0 "[ . 1]" 1
141 1 63 PHE QD 1 65 VAL HA 4.670 . 7.396 2.982 2.647 3.268 . 0 0 "[ . 1]" 1
142 1 65 VAL HA 1 66 GLY HA3 3.536 2.227 4.845 4.501 4.346 4.583 . 0 0 "[ . 1]" 1
143 1 24 SER QB 1 26 ASP HA 5.264 . 8.728 6.048 5.497 6.448 . 0 0 "[ . 1]" 1
144 1 24 SER QB 1 26 ASP HB2 4.437 . 6.877 5.139 4.498 6.026 . 0 0 "[ . 1]" 1
145 1 65 VAL HA 1 83 VAL H 3.965 2.091 5.839 4.304 3.951 4.812 . 0 0 "[ . 1]" 1
146 1 36 ILE HA 1 36 ILE QG 3.502 . 5.035 2.818 2.181 3.249 . 0 0 "[ . 1]" 1
147 1 36 ILE HA 1 36 ILE HB 2.628 . 3.491 3.011 2.964 3.045 . 0 0 "[ . 1]" 1
148 1 3 THR HA 1 40 VAL HB 2.410 . 3.136 2.383 2.127 2.724 . 0 0 "[ . 1]" 1
149 1 54 SER HA 1 54 SER HB2 2.612 . 3.465 2.808 2.318 3.105 . 0 0 "[ . 1]" 1
150 1 54 SER HA 1 54 SER HB3 2.554 . 3.369 2.519 2.352 2.970 . 0 0 "[ . 1]" 1
151 1 34 PHE QB 1 54 SER HB2 3.944 2.003 5.726 3.034 2.238 4.533 . 0 0 "[ . 1]" 1
152 1 34 PHE QE 1 36 ILE HA 4.231 . 6.536 4.964 2.351 8.347 1.811 5 1 "[ + 1]" 1
153 1 36 ILE H 1 36 ILE HA 2.993 . 4.112 2.885 2.481 3.002 . 0 0 "[ . 1]" 1
154 1 3 THR H 1 3 THR HA 2.897 . 3.946 2.642 2.396 2.822 . 0 0 "[ . 1]" 1
155 1 54 SER H 1 54 SER HB3 2.396 . 3.114 3.390 2.962 3.790 0.676 10 1 "[ . +]" 1
156 1 3 THR HA 1 41 GLN HA 2.848 2.047 3.649 2.886 2.422 3.371 . 0 0 "[ . 1]" 1
157 1 23 ILE HA 1 24 SER QB 3.942 . 5.885 4.547 4.001 4.788 . 0 0 "[ . 1]" 1
158 1 14 TYR HA 1 119 TYR QD 3.861 . 5.814 2.775 2.117 4.153 . 0 0 "[ . 1]" 1
159 1 14 TYR HA 1 119 TYR QE 3.796 . 5.738 2.728 2.253 3.374 . 0 0 "[ . 1]" 1
160 1 14 TYR HA 1 14 TYR HB2 2.835 . 3.839 2.441 2.364 2.510 . 0 0 "[ . 1]" 1
161 1 14 TYR HA 1 14 TYR HB3 2.854 . 3.872 2.520 2.406 2.659 . 0 0 "[ . 1]" 1
162 1 117 VAL HA 1 118 THR H 2.015 . 2.523 2.163 2.042 2.252 . 0 0 "[ . 1]" 1
163 1 117 VAL H 1 117 VAL HA 2.312 . 2.980 2.959 2.908 3.035 0.055 5 0 "[ . 1]" 1
164 1 54 SER HB3 1 55 GLY H 3.334 . 4.923 3.906 3.343 4.737 . 0 0 "[ . 1]" 1
165 1 34 PHE QE 1 54 SER HB3 4.227 . 6.529 4.876 2.958 5.763 . 0 0 "[ . 1]" 1
166 1 34 PHE QE 1 54 SER HB2 4.478 . 6.990 4.595 3.793 5.669 . 0 0 "[ . 1]" 1
167 1 117 VAL HA 1 117 VAL HB 2.367 . 3.067 2.541 2.297 2.676 . 0 0 "[ . 1]" 1
168 1 14 TYR HA 1 17 PHE HB3 3.669 . 5.352 2.570 2.177 2.925 . 0 0 "[ . 1]" 1
169 1 3 THR HA 1 41 GLN QB 4.020 . 6.040 4.649 4.283 5.006 . 0 0 "[ . 1]" 1
170 1 117 VAL HA 1 118 THR HB 3.856 . 5.715 4.552 4.100 5.047 . 0 0 "[ . 1]" 1
171 1 25 SER HA 1 28 ILE HB 3.025 . 4.386 2.918 2.354 3.961 . 0 0 "[ . 1]" 1
172 1 25 SER HA 1 28 ILE HG12 4.740 2.192 7.288 4.734 4.034 5.704 . 0 0 "[ . 1]" 1
173 1 83 VAL HA 1 84 GLN QB 4.075 . 6.150 4.417 4.142 4.714 . 0 0 "[ . 1]" 1
174 1 83 VAL HA 1 84 GLN QG 4.636 2.079 5.919 3.902 3.557 4.649 . 0 0 "[ . 1]" 1
175 1 25 SER HA 1 29 GLU H 2.971 . 4.101 3.611 3.267 3.930 . 0 0 "[ . 1]" 1
176 1 25 SER HA 1 28 ILE H 3.478 . 4.990 3.781 3.241 4.284 . 0 0 "[ . 1]" 1
177 1 83 VAL H 1 83 VAL HA 2.741 . 3.680 2.887 2.825 2.929 . 0 0 "[ . 1]" 1
178 1 53 TYR H 1 58 THR HA 3.289 . 4.732 3.689 3.050 4.193 . 0 0 "[ . 1]" 1
179 1 52 HIS HA 1 58 THR HA 2.385 . 3.096 2.456 2.191 2.769 . 0 0 "[ . 1]" 1
180 1 58 THR HA 1 58 THR HB 2.803 . 3.785 3.061 3.000 3.170 . 0 0 "[ . 1]" 1
181 1 118 THR H 1 118 THR HA 2.721 . 3.647 2.903 2.816 2.986 . 0 0 "[ . 1]" 1
182 1 113 THR HA 1 118 THR HA 2.770 . 3.729 2.386 2.091 2.655 . 0 0 "[ . 1]" 1
183 1 38 THR HA 1 52 HIS H 2.939 . 4.092 3.437 2.973 3.953 . 0 0 "[ . 1]" 1
184 1 51 GLN H 1 60 THR HA 3.249 . 4.569 3.334 2.951 3.750 . 0 0 "[ . 1]" 1
185 1 50 SER HA 1 60 THR HA 2.758 . 3.852 2.276 1.952 2.552 . 0 0 "[ . 1]" 1
186 1 38 THR HA 1 51 GLN HA 2.405 . 3.160 2.425 2.133 2.891 . 0 0 "[ . 1]" 1
187 1 60 THR HA 1 60 THR HB 2.808 . 3.793 2.324 2.184 2.624 . 0 0 "[ . 1]" 1
188 1 38 THR HA 1 39 GLU QG 4.659 . 7.332 4.107 3.356 5.769 . 0 0 "[ . 1]" 1
189 1 111 VAL HA 1 112 SER H 2.325 . 3.001 2.185 2.035 2.363 . 0 0 "[ . 1]" 1
190 1 109 VAL HA 1 109 VAL HB 2.521 . 3.315 2.930 2.507 3.096 . 0 0 "[ . 1]" 1
191 1 58 THR HA 1 59 MET HB2 4.236 . 6.545 5.527 4.617 5.967 . 0 0 "[ . 1]" 1
192 1 58 THR HA 1 59 MET QG 4.166 . 6.419 4.031 3.649 4.833 . 0 0 "[ . 1]" 1
193 1 69 SER H 1 82 THR HA 4.374 . 6.766 5.120 4.324 5.663 . 0 0 "[ . 1]" 1
194 1 17 PHE HA 1 17 PHE QD 2.766 . 3.722 2.919 2.711 3.243 . 0 0 "[ . 1]" 1
195 1 17 PHE HA 1 20 LEU H 3.123 . 4.342 3.672 3.458 3.905 . 0 0 "[ . 1]" 1
196 1 16 GLU QG 1 17 PHE HA 4.916 . 7.937 5.746 5.441 5.948 . 0 0 "[ . 1]" 1
197 1 25 SER HA 1 28 ILE HG13 4.526 2.056 6.996 3.173 2.386 4.377 . 0 0 "[ . 1]" 1
198 1 17 PHE HA 1 119 TYR QD 4.964 . 7.928 5.418 5.035 5.860 . 0 0 "[ . 1]" 1
199 1 17 PHE HA 1 21 LEU H 3.992 . 5.984 4.254 3.969 4.662 . 0 0 "[ . 1]" 1
200 1 17 PHE HA 1 18 MET H 3.084 2.015 4.153 3.650 3.564 3.862 . 0 0 "[ . 1]" 1
201 1 68 GLU HA 1 82 THR HA 2.968 . 4.069 3.198 2.778 3.844 . 0 0 "[ . 1]" 1
202 1 82 THR HA 1 83 VAL HB 3.807 . 5.619 4.824 4.685 4.913 . 0 0 "[ . 1]" 1
203 1 17 PHE HA 1 119 TYR HB2 4.016 . 6.032 5.017 4.585 5.461 . 0 0 "[ . 1]" 1
204 1 113 THR H 1 113 THR HA 2.711 . 3.630 2.925 2.837 2.968 . 0 0 "[ . 1]" 1
205 1 113 THR HA 1 117 VAL H 3.738 . 5.492 4.456 3.991 4.880 . 0 0 "[ . 1]" 1
206 1 72 GLN HA 1 78 THR HA 1.952 . 2.728 2.294 2.055 2.468 . 0 0 "[ . 1]" 1
207 1 71 ILE H 1 78 THR HA 3.819 2.024 5.614 4.606 4.012 5.113 . 0 0 "[ . 1]" 1
208 1 78 THR HA 1 79 PHE QD 4.305 . 6.622 3.973 3.285 4.358 . 0 0 "[ . 1]" 1
209 1 117 VAL H 1 118 THR HA 4.614 . 7.246 5.087 4.928 5.266 . 0 0 "[ . 1]" 1
210 1 17 PHE HZ 1 118 THR HA 4.414 . 6.871 5.542 4.380 7.171 0.300 3 0 "[ . 1]" 1
211 1 17 PHE QD 1 118 THR HA 3.692 2.095 5.289 4.273 3.516 4.811 . 0 0 "[ . 1]" 1
212 1 72 GLN QG 1 78 THR HA 3.594 . 5.232 2.953 2.250 4.465 . 0 0 "[ . 1]" 1
213 1 72 GLN QB 1 78 THR HA 4.093 . 6.187 3.812 2.306 4.253 . 0 0 "[ . 1]" 1
214 1 77 LYS HB3 1 78 THR HA 4.599 . 7.243 5.133 4.454 5.536 . 0 0 "[ . 1]" 1
215 1 113 THR HA 1 114 ILE QG 4.834 . 7.671 4.360 3.626 6.038 . 0 0 "[ . 1]" 1
216 1 118 THR HA 1 119 TYR HB2 4.075 . 6.150 4.609 4.359 4.862 . 0 0 "[ . 1]" 1
217 1 64 THR HA 1 65 VAL HB 3.529 . 5.086 4.426 4.286 4.621 . 0 0 "[ . 1]" 1
218 1 58 THR HA 1 59 MET H 2.382 . 3.091 2.203 2.068 2.298 . 0 0 "[ . 1]" 1
219 1 37 VAL H 1 37 VAL HA 2.990 . 4.108 2.948 2.863 2.984 . 0 0 "[ . 1]" 1
220 1 77 LYS H 1 78 THR HA 4.847 . 7.784 5.276 4.940 5.474 . 0 0 "[ . 1]" 1
221 1 72 GLN QE 1 78 THR HA 3.621 . 5.560 4.390 2.549 5.945 0.385 1 0 "[ . 1]" 1
222 1 114 ILE HA 1 115 GLY H 2.840 . 3.848 2.254 2.070 2.622 . 0 0 "[ . 1]" 1
223 1 34 PHE QD 1 54 SER HA 4.292 . 6.595 4.442 3.344 5.509 . 0 0 "[ . 1]" 1
224 1 53 TYR H 1 54 SER HA 5.091 . 8.331 5.634 5.401 6.102 . 0 0 "[ . 1]" 1
225 1 114 ILE HA 1 114 ILE QG 2.702 . 3.615 2.681 2.319 2.994 . 0 0 "[ . 1]" 1
226 1 2 PHE HA 1 103 ILE QG 4.448 . 6.353 4.043 2.706 5.239 . 0 0 "[ . 1]" 1
227 1 73 THR HA 1 73 THR HB 2.648 . 3.525 2.399 2.305 2.516 . 0 0 "[ . 1]" 1
228 1 2 PHE HA 1 2 PHE HB3 2.319 . 2.991 2.463 2.387 2.651 . 0 0 "[ . 1]" 1
229 1 2 PHE HA 1 2 PHE HB2 2.413 . 3.141 3.022 3.000 3.045 . 0 0 "[ . 1]" 1
230 1 2 PHE HA 1 40 VAL HB 4.588 . 7.198 5.346 5.027 5.577 . 0 0 "[ . 1]" 1
231 1 2 PHE HA 1 2 PHE QD 2.637 . 3.506 2.883 2.245 3.475 . 0 0 "[ . 1]" 1
232 1 2 PHE HA 1 3 THR H 2.733 . 3.667 3.199 3.039 3.389 . 0 0 "[ . 1]" 1
233 1 92 VAL HA 1 93 ASN H 1.934 . 2.701 2.312 2.171 2.532 . 0 0 "[ . 1]" 1
234 1 73 THR H 1 73 THR HA 2.775 . 3.737 2.883 2.772 2.954 . 0 0 "[ . 1]" 1
235 1 73 THR HA 1 79 PHE HZ 3.895 . 5.943 4.640 3.862 5.193 . 0 0 "[ . 1]" 1
236 1 97 TYR QD 1 114 ILE HA 3.074 . 4.255 2.655 2.140 3.921 . 0 0 "[ . 1]" 1
237 1 73 THR HA 1 75 GLY H 3.316 . 5.079 4.457 3.968 4.831 . 0 0 "[ . 1]" 1
238 1 92 VAL H 1 92 VAL HA 2.389 . 3.102 2.982 2.934 3.031 . 0 0 "[ . 1]" 1
239 1 74 MET HA 1 74 MET QB 2.140 . 2.712 2.422 2.282 2.598 . 0 0 "[ . 1]" 1
240 1 92 VAL HA 1 92 VAL HB 2.454 . 3.207 2.535 2.431 2.590 . 0 0 "[ . 1]" 1
241 1 30 LYS HA 1 30 LYS QE 4.332 . 6.678 4.520 4.128 5.474 . 0 0 "[ . 1]" 1
242 1 30 LYS HA 1 30 LYS QB 3.053 . 4.218 2.309 2.103 2.465 . 0 0 "[ . 1]" 1
243 1 30 LYS HA 1 30 LYS QG 2.223 . 2.841 3.134 2.894 3.366 0.525 7 1 "[ . + 1]" 1
244 1 15 ASP HA 1 15 ASP HB3 2.112 . 2.669 2.586 2.205 3.153 0.484 2 0 "[ . 1]" 1
245 1 16 GLU HA 1 19 LYS QB 2.559 . 3.391 2.671 2.345 3.122 . 0 0 "[ . 1]" 1
246 1 19 LYS HA 1 19 LYS QD 1.895 . 2.344 3.268 2.027 4.082 1.738 9 6 "[* -.***+1]" 1
247 1 19 LYS HA 1 19 LYS HG2 2.076 . 2.615 2.636 2.293 3.286 0.671 2 1 "[ + . 1]" 1
248 1 83 VAL HA 1 92 VAL HA 2.943 2.035 3.851 3.236 3.052 3.682 . 0 0 "[ . 1]" 1
249 1 32 ARG HA 1 32 ARG HB2 2.479 . 3.247 2.316 2.167 2.443 . 0 0 "[ . 1]" 1
250 1 32 ARG HA 1 32 ARG HB3 2.635 . 3.503 2.491 2.400 2.603 . 0 0 "[ . 1]" 1
251 1 30 LYS HA 1 32 ARG H 3.729 . 5.699 4.760 4.577 4.990 . 0 0 "[ . 1]" 1
252 1 30 LYS H 1 30 LYS HA 2.552 . 3.366 2.940 2.829 2.988 . 0 0 "[ . 1]" 1
253 1 30 LYS HA 1 33 ASN HD21 3.798 2.120 5.476 3.713 2.791 4.452 . 0 0 "[ . 1]" 1
254 1 30 LYS HA 1 31 ALA H 2.693 . 3.600 3.595 3.524 3.692 0.092 5 0 "[ . 1]" 1
255 1 19 LYS H 1 19 LYS HA 2.398 . 3.117 2.851 2.721 2.987 . 0 0 "[ . 1]" 1
256 1 19 LYS HA 1 23 ILE H 3.495 . 5.022 3.307 2.708 3.821 . 0 0 "[ . 1]" 1
257 1 14 TYR QD 1 15 ASP HA 4.725 . 7.553 3.212 2.696 3.693 . 0 0 "[ . 1]" 1
258 1 32 ARG H 1 32 ARG HA 2.435 . 3.176 2.822 2.639 2.933 . 0 0 "[ . 1]" 1
259 1 74 MET H 1 74 MET HA 2.421 . 3.154 2.875 2.743 2.952 . 0 0 "[ . 1]" 1
260 1 74 MET HA 1 75 GLY H 2.953 . 4.033 3.593 3.336 3.711 . 0 0 "[ . 1]" 1
261 1 8 MET HA 1 9 GLU H 4.246 2.236 6.256 2.177 2.049 2.273 0.187 3 0 "[ . 1]" 1
262 1 73 THR HA 1 74 MET H 2.355 . 3.048 2.597 2.394 2.909 . 0 0 "[ . 1]" 1
263 1 114 ILE H 1 114 ILE HA 2.918 . 3.982 2.985 2.913 3.010 . 0 0 "[ . 1]" 1
264 1 97 TYR HA 1 97 TYR HB2 2.616 . 3.471 2.452 2.384 2.610 . 0 0 "[ . 1]" 1
265 1 19 LYS HA 1 28 ILE HG12 4.093 . 6.289 5.260 4.764 5.851 . 0 0 "[ . 1]" 1
266 1 15 ASP HB3 1 16 GLU HA 4.267 2.093 6.441 4.831 4.146 5.921 . 0 0 "[ . 1]" 1
267 1 34 PHE HA 1 35 LYS QD 3.867 2.339 5.395 3.163 2.632 4.404 . 0 0 "[ . 1]" 1
268 1 32 ARG HA 1 32 ARG QD 4.064 . 6.128 4.372 4.083 4.580 . 0 0 "[ . 1]" 1
269 1 16 GLU HA 1 17 PHE H 3.133 . 4.360 3.524 3.444 3.645 . 0 0 "[ . 1]" 1
270 1 15 ASP HA 1 16 GLU H 2.979 . 4.044 3.572 3.479 3.705 . 0 0 "[ . 1]" 1
271 1 24 SER H 1 24 SER HA 2.933 . 4.008 2.890 2.730 2.993 . 0 0 "[ . 1]" 1
272 1 34 PHE HA 1 34 PHE QD 3.410 . 4.863 3.416 2.367 3.725 . 0 0 "[ . 1]" 1
273 1 112 SER HA 1 113 THR H 2.513 . 3.302 2.439 2.318 2.561 . 0 0 "[ . 1]" 1
274 1 29 GLU H 1 29 GLU HA 2.399 . 3.119 2.834 2.730 2.942 . 0 0 "[ . 1]" 1
275 1 68 GLU H 1 68 GLU HA 2.445 . 3.192 2.934 2.803 2.997 . 0 0 "[ . 1]" 1
276 1 24 SER HA 1 26 ASP H 4.562 . 7.148 5.293 4.990 5.664 . 0 0 "[ . 1]" 1
277 1 23 ILE H 1 23 ILE HA 2.314 . 2.983 2.963 2.896 3.013 0.030 10 0 "[ . 1]" 1
278 1 34 PHE HA 1 34 PHE QB 2.205 . 2.813 2.164 2.075 2.394 . 0 0 "[ . 1]" 1
279 1 29 GLU HA 1 29 GLU QG 2.795 . 3.771 3.156 2.463 3.535 . 0 0 "[ . 1]" 1
280 1 29 GLU HA 1 29 GLU HB2 1.813 . 2.224 2.483 2.258 3.050 0.826 8 2 "[ - . + 1]" 1
281 1 29 GLU HA 1 29 GLU HB3 2.035 . 2.553 2.556 2.321 3.035 0.482 1 0 "[ . 1]" 1
282 1 28 ILE HB 1 29 GLU HA 3.406 2.121 4.691 4.188 3.767 4.504 . 0 0 "[ . 1]" 1
283 1 16 GLU HA 1 16 GLU QG 2.396 . 3.113 2.927 2.521 3.168 0.055 5 0 "[ . 1]" 1
284 1 23 ILE HA 1 23 ILE QG . . 2.794 2.598 2.427 3.254 0.460 10 0 "[ . 1]" 1
285 1 101 SER HA 1 111 VAL H 3.071 . 4.250 3.473 2.846 4.070 . 0 0 "[ . 1]" 1
286 1 101 SER H 1 101 SER HA 2.796 . 3.773 2.962 2.846 3.022 . 0 0 "[ . 1]" 1
287 1 100 THR H 1 112 SER HA 2.901 . 3.953 3.280 2.959 3.546 . 0 0 "[ . 1]" 1
288 1 123 SER HA 1 124 LYS H 2.324 . 2.999 2.268 2.072 2.377 . 0 0 "[ . 1]" 1
289 1 69 SER HA 1 70 ASN H 2.795 . 3.737 3.000 2.604 3.457 . 0 0 "[ . 1]" 1
290 1 7 GLU H 1 125 ARG HA 3.138 2.131 4.145 3.867 3.666 4.032 . 0 0 "[ . 1]" 1
291 1 125 ARG HA 1 127 ALA H 3.849 . 5.700 3.798 3.417 4.150 . 0 0 "[ . 1]" 1
292 1 6 PHE QD 1 125 ARG HA 2.909 . 3.967 2.558 1.963 3.215 . 0 0 "[ . 1]" 1
293 1 101 SER HA 1 110 GLU HA 2.940 . 4.020 2.433 2.192 2.796 . 0 0 "[ . 1]" 1
294 1 112 SER HA 1 119 TYR HB2 4.979 . 7.958 6.660 5.436 7.751 . 0 0 "[ . 1]" 1
295 1 112 SER HA 1 112 SER HB2 2.673 . 3.566 2.873 2.496 3.210 . 0 0 "[ . 1]" 1
296 1 69 SER HA 1 69 SER HB2 2.584 . 3.418 2.752 2.343 3.128 . 0 0 "[ . 1]" 1
297 1 125 ARG HA 1 125 ARG HB2 2.037 . 2.556 2.368 2.263 2.667 0.111 6 0 "[ . 1]" 1
298 1 6 PHE HB2 1 125 ARG HA 4.881 2.844 6.918 4.790 4.267 5.048 . 0 0 "[ . 1]" 1
299 1 68 GLU HA 1 80 LYS QB 4.628 . 7.273 4.996 4.432 5.432 . 0 0 "[ . 1]" 1
300 1 68 GLU HA 1 68 GLU QB 2.099 . 2.649 2.386 2.212 2.523 . 0 0 "[ . 1]" 1
301 1 69 SER HA 1 70 ASN HB2 4.471 . 6.977 5.180 4.641 5.505 . 0 0 "[ . 1]" 1
302 1 9 GLU HB2 1 123 SER HA 4.208 2.170 6.246 5.225 3.708 6.166 . 0 0 "[ . 1]" 1
303 1 123 SER HA 1 124 LYS QG 3.785 . 5.755 3.745 3.286 4.552 . 0 0 "[ . 1]" 1
304 1 71 ILE HA 1 71 ILE HG13 1.920 . 2.381 2.637 2.076 3.066 0.685 5 3 "[ *+- 1]" 1
305 1 18 MET HA 1 21 LEU QB 3.454 2.141 4.979 2.675 2.173 3.753 . 0 0 "[ . 1]" 1
306 1 71 ILE HA 1 72 GLN QB 4.527 . 7.082 4.416 4.089 4.611 . 0 0 "[ . 1]" 1
307 1 26 ASP HA 1 26 ASP HB2 2.208 . 2.817 2.494 2.320 2.809 . 0 0 "[ . 1]" 1
308 1 9 GLU HA 1 9 GLU QG 2.007 . 2.511 2.410 2.091 2.681 0.170 3 0 "[ . 1]" 1
309 1 51 GLN HA 1 51 GLN HB3 2.975 . 4.081 2.537 2.343 3.023 . 0 0 "[ . 1]" 1
310 1 18 MET HA 1 28 ILE HG12 4.890 . 7.782 4.776 4.484 5.171 . 0 0 "[ . 1]" 1
311 1 18 MET HA 1 19 LYS H 3.201 . 4.647 3.605 3.428 3.782 . 0 0 "[ . 1]" 1
312 1 18 MET H 1 18 MET HA 2.506 . 3.291 2.877 2.742 2.925 . 0 0 "[ . 1]" 1
313 1 71 ILE HA 1 72 GLN H 2.240 . 2.867 2.265 2.134 2.440 . 0 0 "[ . 1]" 1
314 1 26 ASP HA 1 27 VAL H 3.060 2.008 4.112 3.640 3.577 3.753 . 0 0 "[ . 1]" 1
315 1 26 ASP HA 1 29 GLU H 3.939 2.145 5.733 4.396 3.977 4.985 . 0 0 "[ . 1]" 1
316 1 51 GLN HA 1 52 HIS H 2.719 . 3.643 2.235 2.111 2.362 . 0 0 "[ . 1]" 1
317 1 41 GLN H 1 49 TRP HA 3.283 . 4.822 3.916 3.261 4.508 . 0 0 "[ . 1]" 1
318 1 47 PHE HA 1 49 TRP H 4.770 . 7.546 5.756 5.395 5.994 . 0 0 "[ . 1]" 1
319 1 50 SER HA 1 50 SER HB2 2.893 . 3.939 2.894 2.398 3.163 . 0 0 "[ . 1]" 1
320 1 8 MET HA 1 123 SER HA 2.620 . 3.536 2.480 1.988 3.221 . 0 0 "[ . 1]" 1
321 1 42 GLN HA 1 47 PHE HA 2.477 . 3.244 2.475 2.105 2.762 . 0 0 "[ . 1]" 1
322 1 47 PHE HA 1 48 THR HB 4.255 . 6.518 4.604 4.316 4.939 . 0 0 "[ . 1]" 1
323 1 12 LYS HA 1 13 ASN H 2.454 . 3.207 2.177 1.986 2.464 . 0 0 "[ . 1]" 1
324 1 77 LYS HA 1 78 THR H 2.242 . 2.913 2.229 1.971 2.533 . 0 0 "[ . 1]" 1
325 1 57 HIS HA 1 57 HIS HB2 2.135 . 2.705 2.563 2.423 2.779 0.074 9 0 "[ . 1]" 1
326 1 77 LYS HA 1 77 LYS HB2 2.796 . 3.773 2.475 2.184 3.023 . 0 0 "[ . 1]" 1
327 1 57 HIS HA 1 57 HIS HB3 2.958 . 4.052 3.048 2.954 3.163 . 0 0 "[ . 1]" 1
328 1 77 LYS HA 1 77 LYS QD 3.059 . 4.229 4.091 3.942 4.262 0.033 8 0 "[ . 1]" 1
329 1 12 LYS HA 1 12 LYS HB3 2.644 . 3.518 3.046 3.018 3.072 . 0 0 "[ . 1]" 1
330 1 12 LYS HA 1 12 LYS QD 2.014 . 2.521 2.483 2.095 3.957 1.436 8 1 "[ . + 1]" 1
331 1 12 LYS HA 1 12 LYS HB2 2.051 . 2.577 2.512 2.360 2.769 0.192 4 0 "[ . 1]" 1
332 1 26 ASP HA 1 27 VAL HA 4.378 . 6.774 4.570 4.471 4.693 . 0 0 "[ . 1]" 1
333 1 63 PHE HA 1 63 PHE HB2 2.477 . 3.244 2.435 2.389 2.516 . 0 0 "[ . 1]" 1
334 1 6 PHE HA 1 6 PHE HB2 2.628 . 3.491 3.043 3.028 3.073 . 0 0 "[ . 1]" 1
335 1 6 PHE HA 1 125 ARG HA 2.324 . 3.040 2.363 1.917 2.711 . 0 0 "[ . 1]" 1
336 1 6 PHE HA 1 6 PHE QD 2.617 . 3.473 3.008 2.546 3.441 . 0 0 "[ . 1]" 1
337 1 6 PHE HA 1 7 GLU H 2.354 . 3.046 2.257 2.175 2.370 . 0 0 "[ . 1]" 1
338 1 6 PHE H 1 6 PHE HA 2.440 . 3.184 2.986 2.938 3.021 . 0 0 "[ . 1]" 1
339 1 6 PHE HA 1 38 THR H 4.523 . 7.074 4.813 4.582 5.227 . 0 0 "[ . 1]" 1
340 1 34 PHE QE 1 53 TYR HA 4.741 2.202 7.280 3.944 2.364 7.089 . 0 0 "[ . 1]" 1
341 1 34 PHE QD 1 53 TYR HA 3.946 2.004 5.888 4.274 3.456 5.459 . 0 0 "[ . 1]" 1
342 1 53 TYR HA 1 53 TYR QD 2.352 . 3.043 3.047 2.534 3.738 0.695 6 4 "[**- .+ 1]" 1
343 1 69 SER H 1 80 LYS HA 2.342 . 3.166 2.463 2.165 2.810 . 0 0 "[ . 1]" 1
344 1 2 PHE HZ 1 102 GLU HA 3.205 . 4.813 3.070 2.098 4.567 . 0 0 "[ . 1]" 1
345 1 2 PHE QE 1 102 GLU HA 3.709 . 5.429 2.529 2.216 3.380 . 0 0 "[ . 1]" 1
346 1 119 TYR HA 1 120 GLU H 2.214 . 2.827 2.282 2.126 2.448 . 0 0 "[ . 1]" 1
347 1 69 SER HA 1 80 LYS HA 2.244 . 2.966 2.493 1.969 2.873 . 0 0 "[ . 1]" 1
348 1 59 MET HA 1 59 MET HB2 2.246 . 2.877 2.641 2.432 3.044 0.167 4 0 "[ . 1]" 1
349 1 59 MET HA 1 59 MET HB3 2.286 . 2.939 2.372 2.196 2.583 . 0 0 "[ . 1]" 1
350 1 59 MET HA 1 59 MET QG 3.349 . 4.751 3.142 2.160 3.515 . 0 0 "[ . 1]" 1
351 1 80 LYS HA 1 80 LYS QB . . 2.331 2.309 2.103 2.440 0.109 3 0 "[ . 1]" 1
352 1 102 GLU HA 1 103 ILE QG 4.206 . 6.491 4.224 3.409 5.892 . 0 0 "[ . 1]" 1
353 1 102 GLU HA 1 103 ILE H 2.265 . 2.851 2.394 2.193 2.618 . 0 0 "[ . 1]" 1
354 1 12 LYS QG 1 119 TYR HA 4.795 . 7.771 3.677 3.024 4.599 . 0 0 "[ . 1]" 1
355 1 126 LEU HA 1 126 LEU HB3 1.854 . 2.284 2.402 2.244 2.583 0.299 10 0 "[ . 1]" 1
356 1 35 LYS HA 1 35 LYS QG 2.378 . 3.085 2.721 2.110 3.569 0.484 10 0 "[ . 1]" 1
357 1 35 LYS HA 1 35 LYS QD 3.318 . 4.694 3.523 2.932 3.976 . 0 0 "[ . 1]" 1
358 1 35 LYS H 1 35 LYS HA 2.788 . 3.760 2.274 2.183 2.649 . 0 0 "[ . 1]" 1
359 1 45 GLN H 1 45 GLN HA 2.339 . 3.023 2.935 2.845 2.986 . 0 0 "[ . 1]" 1
360 1 79 PHE HA 1 79 PHE HB2 2.687 . 3.590 2.464 2.410 2.543 . 0 0 "[ . 1]" 1
361 1 45 GLN HA 1 45 GLN QG 2.337 . 3.020 2.472 2.259 2.630 . 0 0 "[ . 1]" 1
362 1 21 LEU HA 1 21 LEU QB 2.535 . 2.978 2.476 2.362 2.579 . 0 0 "[ . 1]" 1
363 1 35 LYS HA 1 36 ILE QG 4.701 . 7.413 3.211 2.708 4.006 . 0 0 "[ . 1]" 1
364 1 20 LEU QB 1 21 LEU HA 3.807 . 5.619 4.064 3.711 4.401 . 0 0 "[ . 1]" 1
365 1 5 LYS HA 1 5 LYS HG2 2.205 . 2.813 2.478 2.276 2.696 . 0 0 "[ . 1]" 1
366 1 5 LYS HA 1 5 LYS HG3 3.245 . 4.561 3.616 3.437 3.780 . 0 0 "[ . 1]" 1
367 1 89 LYS HA 1 89 LYS QE 3.493 . 5.018 5.014 4.182 5.723 0.705 4 2 "[ - +. 1]" 1
368 1 45 GLN HA 1 45 GLN QB 2.253 . 2.888 2.492 2.338 2.599 . 0 0 "[ . 1]" 1
369 1 45 GLN HA 1 46 ASP H 2.948 2.004 3.892 3.495 3.405 3.593 . 0 0 "[ . 1]" 1
370 1 45 GLN HA 1 65 VAL H 3.024 . 4.285 3.659 3.111 4.011 . 0 0 "[ . 1]" 1
371 1 126 LEU HA 1 127 ALA H 3.093 . 4.289 3.023 2.649 3.453 . 0 0 "[ . 1]" 1
372 1 126 LEU H 1 126 LEU HA 2.394 . 3.110 2.910 2.741 2.948 . 0 0 "[ . 1]" 1
373 1 7 GLU H 1 7 GLU HA 2.304 . 2.967 2.989 2.859 3.067 0.100 10 0 "[ . 1]" 1
374 1 5 LYS H 1 5 LYS HA 2.591 . 3.430 2.922 2.808 2.990 . 0 0 "[ . 1]" 1
375 1 5 LYS HA 1 6 PHE QD 3.179 . 4.472 3.233 2.651 3.852 . 0 0 "[ . 1]" 1
376 1 20 LEU H 1 21 LEU HA 4.452 . 6.929 5.384 5.131 5.600 . 0 0 "[ . 1]" 1
377 1 45 GLN HA 1 45 GLN HE21 3.062 . 4.234 4.469 3.928 5.115 0.881 3 3 "[ +*- 1]" 1
378 1 6 PHE HA 1 127 ALA H 4.503 . 7.037 5.042 4.404 5.635 . 0 0 "[ . 1]" 1
379 1 89 LYS H 1 89 LYS HA 2.377 . 3.083 2.947 2.861 3.005 . 0 0 "[ . 1]" 1
380 1 8 MET HG2 1 35 LYS HA 4.640 . 7.296 5.390 4.400 6.688 . 0 0 "[ . 1]" 1
381 1 6 PHE HA 1 38 THR HB 4.378 . 6.774 5.413 3.997 7.172 0.398 1 0 "[ . 1]" 1
382 1 36 ILE HA 1 53 TYR HA 2.885 . 3.925 2.909 2.120 3.647 . 0 0 "[ . 1]" 1
383 1 110 GLU HA 1 110 GLU QG 2.465 . 3.225 2.736 2.435 3.115 . 0 0 "[ . 1]" 1
384 1 85 MET HA 1 85 MET QB 2.271 . 2.916 2.383 2.326 2.578 . 0 0 "[ . 1]" 1
385 1 85 MET HA 1 89 LYS QB 4.746 . 7.688 4.725 4.140 5.727 . 0 0 "[ . 1]" 1
386 1 62 LYS HA 1 62 LYS QG . . 2.308 2.574 2.267 3.367 1.059 4 1 "[ +. 1]" 1
387 1 11 GLU HA 1 11 GLU QG 1.982 . 2.473 2.683 2.357 3.233 0.760 9 1 "[ . +1]" 1
388 1 39 GLU HA 1 39 GLU HB3 2.196 . 2.799 2.574 2.306 3.002 0.203 7 0 "[ . 1]" 1
389 1 46 ASP HA 1 46 ASP HB3 2.196 . 2.799 2.671 2.516 3.139 0.340 6 0 "[ . 1]" 1
390 1 106 ASP HA 1 106 ASP HB2 2.271 . 2.916 2.929 2.413 3.107 0.191 3 0 "[ . 1]" 1
391 1 106 ASP HA 1 106 ASP HB3 2.300 . 2.961 2.654 2.391 3.101 0.140 6 0 "[ . 1]" 1
392 1 86 GLU HA 1 86 GLU QG 2.926 . 3.996 2.645 2.143 3.363 . 0 0 "[ . 1]" 1
393 1 86 GLU HA 1 86 GLU HB3 2.072 . 2.609 2.598 2.423 2.907 0.298 8 0 "[ . 1]" 1
394 1 126 LEU HA 1 126 LEU HB2 1.957 . 2.436 2.441 2.342 2.637 0.201 6 0 "[ . 1]" 1
395 1 32 ARG HA 1 33 ASN HA 4.512 . 7.057 4.658 4.479 4.877 . 0 0 "[ . 1]" 1
396 1 126 LEU HA 1 127 ALA HA 3.871 2.077 5.665 4.660 4.413 5.118 . 0 0 "[ . 1]" 1
397 1 52 HIS HA 1 53 TYR H 1.934 . 2.401 2.165 2.010 2.294 . 0 0 "[ . 1]" 1
398 1 99 GLN HA 1 100 THR H 2.318 . 2.979 2.465 2.265 2.636 . 0 0 "[ . 1]" 1
399 1 107 LYS HA 1 108 LEU H 2.170 . 2.759 2.276 2.227 2.398 . 0 0 "[ . 1]" 1
400 1 46 ASP HA 1 64 THR HA 2.510 . 3.236 2.503 2.139 3.050 . 0 0 "[ . 1]" 1
401 1 106 ASP H 1 106 ASP HA 2.341 . 3.026 2.974 2.944 3.020 . 0 0 "[ . 1]" 1
402 1 106 ASP HA 1 107 LYS H 2.867 . 3.790 3.284 3.147 3.361 . 0 0 "[ . 1]" 1
403 1 99 GLN HA 1 113 THR H 2.943 2.114 3.772 3.284 2.872 3.454 . 0 0 "[ . 1]" 1
404 1 71 ILE H 1 72 GLN HA 3.900 . 5.831 5.062 4.558 5.258 . 0 0 "[ . 1]" 1
405 1 46 ASP HA 1 47 PHE H 2.223 . 2.841 2.110 1.987 2.229 . 0 0 "[ . 1]" 1
406 1 46 ASP H 1 46 ASP HA 2.592 . 3.432 2.921 2.820 2.982 . 0 0 "[ . 1]" 1
407 1 80 LYS HA 1 81 ALA H 2.085 . 2.729 2.236 2.058 2.486 . 0 0 "[ . 1]" 1
408 1 13 ASN HA 1 14 TYR H 2.698 . 3.478 3.002 2.809 3.251 . 0 0 "[ . 1]" 1
409 1 98 HIS HA 1 98 HIS QB 2.650 . 3.528 2.350 2.300 2.478 . 0 0 "[ . 1]" 1
410 1 39 GLU HA 1 39 GLU QG 2.176 . 2.768 2.481 2.156 2.830 0.062 7 0 "[ . 1]" 1
411 1 96 ASN HA 1 96 ASN HB2 2.569 . 3.394 2.513 2.310 3.094 . 0 0 "[ . 1]" 1
412 1 96 ASN HA 1 96 ASN HB3 2.157 . 2.739 2.631 2.245 3.042 0.303 4 0 "[ . 1]" 1
413 1 93 ASN HA 1 98 HIS HA 2.778 . 3.742 2.789 2.596 2.945 . 0 0 "[ . 1]" 1
414 1 93 ASN HA 1 94 PHE H 1.974 . 2.461 2.123 2.031 2.244 . 0 0 "[ . 1]" 1
415 1 70 ASN HA 1 71 ILE H 2.456 . 3.448 3.099 2.921 3.353 . 0 0 "[ . 1]" 1
416 1 72 GLN HA 1 79 PHE QD 4.328 . 6.713 3.997 2.804 4.582 . 0 0 "[ . 1]" 1
417 1 93 ASN HA 1 99 GLN H 3.559 2.032 5.086 4.407 3.996 4.616 . 0 0 "[ . 1]" 1
418 1 93 ASN HA 1 97 TYR QD 4.271 2.098 6.444 5.268 4.860 5.680 . 0 0 "[ . 1]" 1
419 1 94 PHE HA 1 95 PRO HD2 2.901 . 3.883 3.036 2.426 3.452 . 0 0 "[ . 1]" 1
420 1 94 PHE HA 1 95 PRO HD3 2.856 . 3.850 2.258 2.118 2.458 . 0 0 "[ . 1]" 1
421 1 94 PHE HA 1 94 PHE HB3 2.393 . 3.109 2.579 2.455 3.028 . 0 0 "[ . 1]" 1
422 1 93 ASN HA 1 93 ASN HB3 2.078 . 2.618 2.427 2.179 2.584 . 0 0 "[ . 1]" 1
423 1 120 GLU HA 1 120 GLU HB3 2.506 . 3.291 3.073 3.021 3.141 . 0 0 "[ . 1]" 1
424 1 120 GLU HA 1 120 GLU HB2 2.530 . 3.330 2.538 2.476 2.618 . 0 0 "[ . 1]" 1
425 1 120 GLU HA 1 120 GLU QG 2.459 . 3.215 2.529 2.365 2.806 . 0 0 "[ . 1]" 1
426 1 42 GLN HA 1 42 GLN QG 2.895 . 3.643 2.486 2.364 2.573 . 0 0 "[ . 1]" 1
427 1 42 GLN HA 1 42 GLN QB 2.446 . 3.194 2.378 2.342 2.418 . 0 0 "[ . 1]" 1
428 1 5 LYS HB2 1 127 ALA HA 3.507 . 5.293 3.851 2.446 5.063 . 0 0 "[ . 1]" 1
429 1 5 LYS HG3 1 127 ALA HA 4.426 2.004 6.848 5.297 4.482 6.580 . 0 0 "[ . 1]" 1
430 1 31 ALA HA 1 53 TYR QB 4.614 . 7.246 5.736 3.897 7.659 0.413 9 0 "[ . 1]" 1
431 1 61 ASN H 1 61 ASN HA 2.240 . 2.867 2.954 2.814 3.000 0.133 8 0 "[ . 1]" 1
432 1 120 GLU HA 1 121 ARG H 2.055 . 2.685 2.271 2.029 2.447 . 0 0 "[ . 1]" 1
433 1 31 ALA HA 1 33 ASN H 3.838 . 5.680 4.369 4.123 4.640 . 0 0 "[ . 1]" 1
434 1 1 ALA HA 1 2 PHE H 3.126 . 4.348 2.280 2.106 2.549 . 0 0 "[ . 1]" 1
435 1 1 ALA HA 1 2 PHE QD 4.203 2.076 6.330 3.530 2.342 4.992 . 0 0 "[ . 1]" 1
436 1 1 ALA HA 1 3 THR H 3.451 2.135 4.767 3.892 3.342 4.283 . 0 0 "[ . 1]" 1
437 1 1 ALA HA 1 42 GLN QE 4.090 2.017 6.163 4.329 3.505 5.033 . 0 0 "[ . 1]" 1
438 1 61 ASN HA 1 62 LYS HA 3.983 . 5.966 4.461 4.333 4.538 . 0 0 "[ . 1]" 1
439 1 93 ASN HA 1 93 ASN QD 2.337 . 3.020 4.074 3.918 4.246 1.226 6 10 [*****+*-**] 1
440 1 61 ASN HA 1 61 ASN QD 2.720 . 3.645 2.724 2.144 4.264 0.619 9 1 "[ . +1]" 1
441 1 61 ASN HA 1 62 LYS HB2 4.050 . 6.213 4.676 4.396 5.941 . 0 0 "[ . 1]" 1
442 1 61 ASN HA 1 61 ASN HB2 2.292 . 2.949 3.019 2.745 3.105 0.156 3 0 "[ . 1]" 1
443 1 61 ASN HA 1 61 ASN HB3 2.208 . 2.817 2.452 2.285 2.606 . 0 0 "[ . 1]" 1
444 1 1 ALA HA 1 42 GLN QB 4.003 2.102 5.904 3.109 2.060 4.366 0.042 2 0 "[ . 1]" 1
445 1 31 ALA HA 1 36 ILE QG 3.861 . 5.724 2.920 2.159 4.232 . 0 0 "[ . 1]" 1
446 1 30 LYS HA 1 31 ALA HA 3.825 . 5.792 4.822 4.549 4.970 . 0 0 "[ . 1]" 1
447 1 1 ALA HA 1 43 ASP H 4.557 . 7.215 6.488 5.867 7.271 0.056 7 0 "[ . 1]" 1
448 1 95 PRO HD2 1 95 PRO HG2 2.531 . 3.332 2.412 2.361 2.637 . 0 0 "[ . 1]" 1
449 1 95 PRO HD2 1 95 PRO HG3 2.393 . 3.109 3.005 2.925 3.044 . 0 0 "[ . 1]" 1
450 1 94 PHE QD 1 95 PRO HD2 3.827 . 5.657 3.117 2.806 3.436 . 0 0 "[ . 1]" 1
451 1 95 PRO HB2 1 95 PRO HD2 2.481 . 3.250 2.914 2.735 3.301 0.051 3 0 "[ . 1]" 1
452 1 95 PRO HB3 1 95 PRO HD3 3.803 . 5.611 4.109 4.014 4.159 . 0 0 "[ . 1]" 1
453 1 95 PRO HD3 1 95 PRO HG3 2.563 . 3.384 2.290 2.073 2.371 . 0 0 "[ . 1]" 1
454 1 44 GLY QA 1 45 GLN QB 4.392 . 4.943 3.799 3.493 4.124 . 0 0 "[ . 1]" 1
455 1 105 GLY HA2 1 106 ASP H 3.010 . 4.077 3.384 3.204 3.671 . 0 0 "[ . 1]" 1
456 1 105 GLY HA2 1 106 ASP HB2 4.112 . 6.225 5.405 4.759 5.854 . 0 0 "[ . 1]" 1
457 1 115 GLY H 1 115 GLY HA2 2.466 . 3.226 2.239 2.129 2.403 . 0 0 "[ . 1]" 1
458 1 115 GLY HA2 1 116 GLY H 2.693 . 3.409 2.968 2.637 3.213 . 0 0 "[ . 1]" 1
459 1 87 GLY HA2 1 89 LYS H 3.835 . 5.674 4.717 4.343 5.409 . 0 0 "[ . 1]" 1
460 1 105 GLY HA3 1 106 ASP H 2.684 . 3.584 2.198 2.057 2.389 . 0 0 "[ . 1]" 1
461 1 44 GLY QA 1 46 ASP H 3.447 . 4.897 3.542 3.383 3.718 . 0 0 "[ . 1]" 1
462 1 44 GLY QA 1 45 GLN H 2.425 2.013 3.291 2.093 1.968 2.412 0.045 10 0 "[ . 1]" 1
463 1 104 VAL HA 1 105 GLY HA2 3.397 . 4.839 4.304 4.184 4.455 . 0 0 "[ . 1]" 1
464 1 96 ASN HD22 1 115 GLY HA2 4.985 . 7.970 6.116 4.946 7.385 . 0 0 "[ . 1]" 1
465 1 76 GLY H 1 76 GLY HA3 2.306 . 2.971 2.917 2.817 2.974 0.003 8 0 "[ . 1]" 1
466 1 55 GLY H 1 55 GLY HA2 2.446 . 3.194 2.747 2.387 3.002 . 0 0 "[ . 1]" 1
467 1 75 GLY H 1 75 GLY HA2 2.368 . 3.069 2.879 2.829 2.955 . 0 0 "[ . 1]" 1
468 1 72 GLN QG 1 76 GLY HA2 4.116 . 5.853 4.033 2.316 5.163 . 0 0 "[ . 1]" 1
469 1 85 MET QB 1 88 GLY HA2 4.186 . 6.455 4.104 2.957 5.735 . 0 0 "[ . 1]" 1
470 1 88 GLY HA2 1 89 LYS H 2.839 . 3.845 3.123 2.696 3.628 . 0 0 "[ . 1]" 1
471 1 4 GLY H 1 4 GLY HA2 2.612 . 3.465 2.637 2.497 2.772 . 0 0 "[ . 1]" 1
472 1 22 GLY H 1 22 GLY HA3 2.282 . 2.933 2.970 2.896 3.044 0.111 8 0 "[ . 1]" 1
473 1 75 GLY H 1 75 GLY HA3 2.170 . 2.759 2.245 2.144 2.380 . 0 0 "[ . 1]" 1
474 1 72 GLN QB 1 76 GLY HA3 4.971 . 7.942 4.269 3.943 4.833 . 0 0 "[ . 1]" 1
475 1 61 ASN HB3 1 62 LYS H 3.900 . 5.831 3.792 3.342 4.167 . 0 0 "[ . 1]" 1
476 1 61 ASN HB2 1 62 LYS H 3.598 2.020 5.176 4.240 2.968 4.619 . 0 0 "[ . 1]" 1
477 1 54 SER HA 1 55 GLY HA2 3.893 2.281 5.505 4.676 4.112 5.018 . 0 0 "[ . 1]" 1
478 1 88 GLY HA2 1 89 LYS QB 4.503 . 7.038 5.158 4.528 5.626 . 0 0 "[ . 1]" 1
479 1 65 VAL HA 1 66 GLY HA2 3.471 . 4.977 4.455 4.328 4.558 . 0 0 "[ . 1]" 1
480 1 66 GLY HA2 1 85 MET H 4.153 . 6.309 5.685 5.258 6.134 . 0 0 "[ . 1]" 1
481 1 74 MET H 1 75 GLY HA3 3.831 2.098 5.564 4.939 4.694 5.152 . 0 0 "[ . 1]" 1
482 1 4 GLY H 1 4 GLY HA3 2.715 . 3.636 2.945 2.888 2.992 . 0 0 "[ . 1]" 1
483 1 121 ARG QB 1 121 ARG QD 2.821 . 3.816 2.398 2.079 3.083 . 0 0 "[ . 1]" 1
484 1 21 LEU QB 1 22 GLY HA3 4.211 2.078 6.344 4.425 3.969 4.967 . 0 0 "[ . 1]" 1
485 1 125 ARG QD 1 125 ARG QG 2.279 . 2.427 2.117 2.008 2.206 . 0 0 "[ . 1]" 1
486 1 125 ARG HB2 1 125 ARG QD 2.715 . 3.636 2.404 2.198 3.098 . 0 0 "[ . 1]" 1
487 1 5 LYS QE 1 126 LEU HB2 4.944 . 7.889 5.445 4.767 6.597 . 0 0 "[ . 1]" 1
488 1 47 PHE HB2 1 63 PHE QD 4.193 2.074 6.312 4.245 3.239 5.643 . 0 0 "[ . 1]" 1
489 1 47 PHE HB2 1 63 PHE QE 3.910 . 5.898 3.775 2.969 4.643 . 0 0 "[ . 1]" 1
490 1 47 PHE HB2 1 63 PHE HZ 3.862 2.090 5.634 4.063 3.272 5.084 . 0 0 "[ . 1]" 1
491 1 126 LEU HB3 1 127 ALA H 3.895 2.195 5.595 4.624 4.439 4.752 . 0 0 "[ . 1]" 1
492 1 47 PHE H 1 47 PHE HB3 2.949 . 4.036 3.137 2.308 3.800 . 0 0 "[ . 1]" 1
493 1 47 PHE HB3 1 63 PHE H 3.963 2.093 5.833 3.687 2.853 4.224 . 0 0 "[ . 1]" 1
494 1 47 PHE HB3 1 63 PHE QE 3.878 . 5.840 3.207 2.332 3.890 . 0 0 "[ . 1]" 1
495 1 47 PHE HB3 1 63 PHE HZ 3.849 2.029 5.669 3.625 2.829 4.562 . 0 0 "[ . 1]" 1
496 1 94 PHE QE 1 97 TYR HB2 4.097 . 6.196 5.761 5.250 6.372 0.176 3 0 "[ . 1]" 1
497 1 6 PHE HB2 1 6 PHE QD 2.693 . 3.600 2.441 2.306 2.632 . 0 0 "[ . 1]" 1
498 1 6 PHE H 1 6 PHE HB2 2.753 . 3.700 2.723 2.573 3.021 . 0 0 "[ . 1]" 1
499 1 6 PHE HB2 1 7 GLU H 3.156 . 4.376 3.835 3.212 4.097 . 0 0 "[ . 1]" 1
500 1 94 PHE QD 1 97 TYR HB3 3.618 . 5.349 2.757 2.341 3.468 . 0 0 "[ . 1]" 1
501 1 97 TYR HB3 1 97 TYR QE 4.642 . 7.335 4.430 4.322 4.478 . 0 0 "[ . 1]" 1
502 1 97 TYR HB3 1 97 TYR QD 2.918 . 3.982 2.357 2.251 2.413 . 0 0 "[ . 1]" 1
503 1 93 ASN HA 1 93 ASN HB2 2.271 . 2.916 2.910 2.501 3.071 0.155 6 0 "[ . 1]" 1
504 1 125 ARG QD 1 126 LEU H 4.313 2.082 6.237 4.626 3.495 5.237 . 0 0 "[ . 1]" 1
505 1 67 LYS QE 1 70 ASN QD 4.664 2.446 7.244 4.673 2.787 6.800 . 0 0 "[ . 1]" 1
506 1 126 LEU H 1 126 LEU HB2 3.068 . 4.244 4.054 3.948 4.293 0.049 6 0 "[ . 1]" 1
507 1 21 LEU H 1 21 LEU QB 2.581 . 3.016 2.219 2.083 2.439 . 0 0 "[ . 1]" 1
508 1 21 LEU QB 1 23 ILE H 4.188 2.285 6.091 3.672 2.699 4.506 . 0 0 "[ . 1]" 1
509 1 47 PHE HB3 1 64 THR HA 3.867 2.186 5.548 4.857 3.755 5.852 0.304 6 0 "[ . 1]" 1
510 1 20 LEU H 1 21 LEU QB 3.982 2.170 5.794 4.564 4.156 4.842 . 0 0 "[ . 1]" 1
511 1 21 LEU QB 1 22 GLY H 3.547 2.104 4.990 3.045 2.600 3.682 . 0 0 "[ . 1]" 1
512 1 108 LEU H 1 108 LEU HB3 2.838 . 3.845 3.202 2.342 3.719 . 0 0 "[ . 1]" 1
513 1 90 LEU HB2 1 101 SER H 3.701 . 5.413 4.052 3.547 5.109 . 0 0 "[ . 1]" 1
514 1 32 ARG QD 1 33 ASN HD22 4.302 . 6.665 4.213 3.129 5.249 . 0 0 "[ . 1]" 1
515 1 32 ARG H 1 32 ARG QD 3.133 . 4.360 3.753 3.495 4.452 0.092 1 0 "[ . 1]" 1
516 1 6 PHE HB2 1 108 LEU HB3 4.634 2.045 7.223 5.434 4.331 6.311 . 0 0 "[ . 1]" 1
517 1 90 LEU HB3 1 90 LEU HG 2.625 . 3.486 2.966 2.533 3.115 . 0 0 "[ . 1]" 1
518 1 21 LEU QB 1 23 ILE QG 4.135 . 6.405 3.737 2.358 4.914 . 0 0 "[ . 1]" 1
519 1 125 ARG HA 1 126 LEU HB3 4.870 2.214 7.526 4.655 4.458 4.927 . 0 0 "[ . 1]" 1
520 1 94 PHE HB3 1 97 TYR HB3 3.380 . 4.790 3.485 2.169 3.889 . 0 0 "[ . 1]" 1
521 1 97 TYR HB3 1 114 ILE QG 3.709 . 5.517 4.822 4.335 5.483 . 0 0 "[ . 1]" 1
522 1 32 ARG QD 1 32 ARG HG3 2.294 . 2.952 2.376 2.278 2.506 . 0 0 "[ . 1]" 1
523 1 32 ARG QD 1 32 ARG HG2 2.321 . 2.995 2.274 2.168 2.391 . 0 0 "[ . 1]" 1
524 1 32 ARG HB3 1 32 ARG QD 2.338 . 3.021 2.392 2.178 2.611 . 0 0 "[ . 1]" 1
525 1 125 ARG HB3 1 125 ARG QD 3.059 . 3.801 2.501 2.195 3.271 . 0 0 "[ . 1]" 1
526 1 125 ARG HA 1 125 ARG QD 4.286 . 6.582 4.153 3.881 4.607 . 0 0 "[ . 1]" 1
527 1 97 TYR HB2 1 97 TYR QD 2.627 . 3.490 2.598 2.463 2.822 . 0 0 "[ . 1]" 1
528 1 93 ASN HB3 1 93 ASN QD 3.011 . 3.750 2.859 2.093 3.280 . 0 0 "[ . 1]" 1
529 1 6 PHE HB2 1 108 LEU HB2 4.202 . 6.483 5.351 4.799 6.050 . 0 0 "[ . 1]" 1
530 1 93 ASN H 1 93 ASN HB3 2.755 . 3.704 3.730 3.381 3.934 0.230 9 0 "[ . 1]" 1
531 1 108 LEU HB2 1 109 VAL H 3.918 . 5.837 4.439 4.268 4.619 . 0 0 "[ . 1]" 1
532 1 108 LEU HB3 1 109 VAL H 3.931 2.057 5.805 3.842 3.212 4.560 . 0 0 "[ . 1]" 1
533 1 32 ARG QD 1 33 ASN HD21 4.481 . 7.050 4.372 3.462 5.171 . 0 0 "[ . 1]" 1
534 1 20 LEU QB 1 21 LEU QB 4.135 . 6.273 4.155 3.334 4.794 . 0 0 "[ . 1]" 1
535 1 18 MET HG3 1 21 LEU QB 4.585 2.133 6.957 5.499 3.558 6.900 . 0 0 "[ . 1]" 1
536 1 20 LEU QB 1 114 ILE HB 3.493 2.297 4.689 3.290 2.833 4.063 . 0 0 "[ . 1]" 1
537 1 5 LYS QD 1 5 LYS QE 1.981 . 2.471 2.042 1.964 2.142 . 0 0 "[ . 1]" 1
538 1 5 LYS QE 1 5 LYS HG3 2.319 . 2.991 2.813 2.316 3.178 0.187 6 0 "[ . 1]" 1
539 1 5 LYS QE 1 5 LYS HG2 3.159 . 4.406 3.444 2.453 3.733 . 0 0 "[ . 1]" 1
540 1 13 ASN HD21 1 119 TYR HB3 3.928 . 5.913 5.176 4.222 6.440 0.527 6 1 "[ .+ 1]" 1
541 1 106 ASP H 1 106 ASP HB3 2.851 . 3.867 3.453 2.610 3.738 . 0 0 "[ . 1]" 1
542 1 97 TYR QE 1 114 ILE HB 4.063 2.028 6.098 4.619 2.173 5.636 . 0 0 "[ . 1]" 1
543 1 17 PHE QD 1 119 TYR HB2 3.652 2.135 5.169 2.930 2.485 3.217 . 0 0 "[ . 1]" 1
544 1 20 LEU H 1 20 LEU QB . . 2.308 2.328 2.143 2.525 0.217 9 0 "[ . 1]" 1
545 1 13 ASN HD21 1 119 TYR HB2 3.908 . 5.825 3.747 2.740 4.991 . 0 0 "[ . 1]" 1
546 1 2 PHE HB2 1 2 PHE QD 2.528 . 3.327 2.449 2.128 2.686 . 0 0 "[ . 1]" 1
547 1 80 LYS H 1 80 LYS QE 2.393 . 3.109 4.180 3.329 4.972 1.863 1 9 "[+ *-******]" 1
548 1 15 ASP H 1 15 ASP HB2 2.257 . 2.894 2.719 2.050 3.580 0.686 4 3 "[ +* - 1]" 1
549 1 119 TYR H 1 119 TYR HB2 2.531 . 3.332 3.232 2.691 3.449 0.117 5 0 "[ . 1]" 1
550 1 2 PHE HB2 1 42 GLN QB 3.940 2.097 5.783 4.052 2.843 5.119 . 0 0 "[ . 1]" 1
551 1 15 ASP HA 1 15 ASP HB2 2.404 . 3.127 2.781 2.395 3.099 . 0 0 "[ . 1]" 1
552 1 42 GLN HA 1 43 ASP HB3 3.671 . 5.356 4.951 4.353 5.742 0.386 3 0 "[ . 1]" 1
553 1 17 PHE HA 1 20 LEU QB 2.924 . 3.552 2.837 2.470 3.319 . 0 0 "[ . 1]" 1
554 1 2 PHE HB2 1 3 THR H 3.035 . 4.176 3.689 3.197 3.987 . 0 0 "[ . 1]" 1
555 1 5 LYS QE 1 7 GLU H 4.596 2.119 7.073 4.959 4.092 6.482 . 0 0 "[ . 1]" 1
556 1 16 GLU H 1 17 PHE HB3 3.845 2.097 5.593 4.939 4.424 5.480 . 0 0 "[ . 1]" 1
557 1 15 ASP HB2 1 16 GLU QB 4.206 . 6.491 5.242 4.608 6.120 . 0 0 "[ . 1]" 1
558 1 15 ASP HB3 1 16 GLU QG 4.116 . 6.330 4.324 3.045 5.619 . 0 0 "[ . 1]" 1
559 1 43 ASP HB3 1 46 ASP HB2 4.303 . 6.804 4.044 2.577 5.319 . 0 0 "[ . 1]" 1
560 1 89 LYS QE 1 89 LYS QG 2.473 . 3.238 2.392 2.104 2.724 . 0 0 "[ . 1]" 1
561 1 16 GLU QB 1 17 PHE HB3 3.511 2.051 4.971 4.789 4.571 5.257 0.286 9 0 "[ . 1]" 1
562 1 34 PHE H 1 34 PHE QB 2.552 . 3.366 2.767 2.127 3.237 . 0 0 "[ . 1]" 1
563 1 53 TYR QB 1 54 SER H 3.469 2.136 4.976 3.165 2.345 3.940 . 0 0 "[ . 1]" 1
564 1 14 TYR H 1 14 TYR HB3 2.135 . 2.705 2.452 2.254 2.682 . 0 0 "[ . 1]" 1
565 1 26 ASP HB2 1 27 VAL H 3.407 2.057 4.757 3.879 3.311 4.398 . 0 0 "[ . 1]" 1
566 1 26 ASP HB3 1 27 VAL H 3.560 2.141 4.979 2.551 1.960 3.181 0.181 5 0 "[ . 1]" 1
567 1 79 PHE H 1 79 PHE HB2 2.678 . 3.574 3.985 3.871 4.057 0.483 6 0 "[ . 1]" 1
568 1 53 TYR QB 1 57 HIS HB3 4.753 2.106 7.400 3.707 2.317 4.958 . 0 0 "[ . 1]" 1
569 1 26 ASP HA 1 26 ASP HB3 2.548 . 3.359 3.023 2.985 3.088 . 0 0 "[ . 1]" 1
570 1 12 LYS QD 1 12 LYS QE 2.048 . 2.572 2.070 1.964 2.142 . 0 0 "[ . 1]" 1
571 1 34 PHE QB 1 54 SER HB3 4.072 . 5.829 3.078 2.193 3.395 . 0 0 "[ . 1]" 1
572 1 96 ASN HB2 1 96 ASN HD21 2.320 . 2.993 2.561 2.224 3.143 0.150 4 0 "[ . 1]" 1
573 1 34 PHE QB 1 54 SER H 3.979 . 5.958 4.411 3.494 5.875 . 0 0 "[ . 1]" 1
574 1 13 ASN H 1 14 TYR HB3 4.803 . 7.611 4.719 4.125 5.081 . 0 0 "[ . 1]" 1
575 1 26 ASP H 1 26 ASP HB3 2.417 . 3.147 2.802 2.520 3.310 0.163 5 0 "[ . 1]" 1
576 1 34 PHE QD 1 36 ILE HB 4.930 . 7.969 6.666 5.349 8.216 0.247 5 0 "[ . 1]" 1
577 1 11 GLU QG 1 14 TYR HB2 3.958 . 5.953 4.592 3.777 5.567 . 0 0 "[ . 1]" 1
578 1 35 LYS HA 1 36 ILE HB 3.658 2.248 5.068 4.498 4.255 4.776 . 0 0 "[ . 1]" 1
579 1 94 PHE HB3 1 97 TYR H 2.988 . 4.160 3.115 2.639 3.503 . 0 0 "[ . 1]" 1
580 1 94 PHE H 1 94 PHE HB3 3.022 . 4.163 3.689 2.995 3.821 . 0 0 "[ . 1]" 1
581 1 94 PHE HA 1 94 PHE HB2 2.831 . 3.833 3.013 2.766 3.126 . 0 0 "[ . 1]" 1
582 1 94 PHE HB2 1 97 TYR QD 4.008 . 6.016 3.808 3.387 4.108 . 0 0 "[ . 1]" 1
583 1 79 PHE HB3 1 80 LYS H 2.887 . 3.858 3.524 3.378 3.780 . 0 0 "[ . 1]" 1
584 1 79 PHE HB3 1 79 PHE QD 2.753 . 3.700 2.524 2.397 2.785 . 0 0 "[ . 1]" 1
585 1 96 ASN HB3 1 97 TYR H 3.887 . 5.776 4.104 2.715 4.641 . 0 0 "[ . 1]" 1
586 1 70 ASN HB2 1 71 ILE H 3.663 . 5.340 4.271 3.813 4.804 . 0 0 "[ . 1]" 1
587 1 70 ASN H 1 70 ASN HB2 2.297 . 2.957 2.697 2.459 3.146 0.189 2 0 "[ . 1]" 1
588 1 70 ASN H 1 70 ASN HB3 2.998 . 4.121 3.240 2.667 3.796 . 0 0 "[ . 1]" 1
589 1 70 ASN HB3 1 71 ILE H 3.536 . 5.088 4.171 3.625 4.459 . 0 0 "[ . 1]" 1
590 1 24 SER H 1 26 ASP HB3 4.168 2.077 6.259 5.097 4.234 5.712 . 0 0 "[ . 1]" 1
591 1 94 PHE HB3 1 95 PRO HG3 4.502 2.021 6.983 5.008 4.565 5.796 . 0 0 "[ . 1]" 1
592 1 94 PHE HB3 1 95 PRO HG2 4.622 2.081 7.163 4.719 4.308 5.684 . 0 0 "[ . 1]" 1
593 1 94 PHE HB3 1 95 PRO HD3 3.547 2.136 4.958 3.231 2.774 4.000 . 0 0 "[ . 1]" 1
594 1 94 PHE HB3 1 95 PRO HD2 3.587 2.250 4.924 2.359 1.931 3.392 0.319 3 0 "[ . 1]" 1
595 1 70 ASN HB2 1 71 ILE HG13 4.568 . 7.159 4.987 3.091 6.919 . 0 0 "[ . 1]" 1
596 1 94 PHE HB2 1 95 PRO HD2 3.614 2.060 5.168 3.868 3.534 4.338 . 0 0 "[ . 1]" 1
597 1 94 PHE HB2 1 95 PRO HD3 3.703 2.150 5.256 4.395 4.148 4.649 . 0 0 "[ . 1]" 1
598 1 33 ASN QB 1 33 ASN HD22 2.536 . 3.340 3.273 3.183 3.356 0.016 5 0 "[ . 1]" 1
599 1 94 PHE HB2 1 94 PHE QD 2.430 . 3.168 2.485 2.306 2.696 . 0 0 "[ . 1]" 1
600 1 70 ASN HB2 1 70 ASN QD 2.426 . 3.162 2.881 2.368 3.408 0.246 4 0 "[ . 1]" 1
601 1 33 ASN H 1 33 ASN QB 2.720 . 3.645 2.388 2.157 2.705 . 0 0 "[ . 1]" 1
602 1 28 ILE HB 1 29 GLU HB3 3.950 . 5.900 4.560 3.804 5.975 0.075 8 0 "[ . 1]" 1
603 1 120 GLU HB3 1 120 GLU QG 2.082 . 2.624 2.490 2.292 2.640 0.016 9 0 "[ . 1]" 1
604 1 33 ASN HA 1 33 ASN QB 2.561 . 3.381 2.455 2.362 2.611 . 0 0 "[ . 1]" 1
605 1 12 LYS HB3 1 13 ASN H 4.044 . 6.089 4.431 4.156 4.583 . 0 0 "[ . 1]" 1
606 1 120 GLU H 1 120 GLU QG 3.670 . 5.354 4.210 4.134 4.291 . 0 0 "[ . 1]" 1
607 1 27 VAL H 1 28 ILE HB 4.042 2.092 5.992 5.255 4.688 5.721 . 0 0 "[ . 1]" 1
608 1 13 ASN QB 1 13 ASN HD22 3.077 . 3.371 3.252 3.191 3.515 0.144 6 0 "[ . 1]" 1
609 1 13 ASN QB 1 13 ASN HD21 2.583 . 3.298 2.204 2.012 2.816 . 0 0 "[ . 1]" 1
610 1 13 ASN H 1 13 ASN QB 2.958 . 3.790 3.004 2.861 3.207 . 0 0 "[ . 1]" 1
611 1 13 ASN QB 1 119 TYR QD 4.157 2.074 6.240 3.409 2.532 4.195 . 0 0 "[ . 1]" 1
612 1 53 TYR QE 1 59 MET HB3 4.784 . 7.753 4.415 3.824 5.066 . 0 0 "[ . 1]" 1
613 1 59 MET H 1 59 MET HB3 2.924 . 3.993 3.565 3.357 3.870 . 0 0 "[ . 1]" 1
614 1 12 LYS HB2 1 120 GLU H 4.090 . 6.181 4.312 3.798 5.728 . 0 0 "[ . 1]" 1
615 1 12 LYS HB3 1 120 GLU H 3.991 . 5.987 2.649 2.111 3.898 . 0 0 "[ . 1]" 1
616 1 100 THR H 1 110 GLU QG 3.492 . 5.016 3.687 2.789 5.405 0.389 9 0 "[ . 1]" 1
617 1 13 ASN QB 1 119 TYR HB2 3.901 2.243 5.813 3.352 2.425 5.032 . 0 0 "[ . 1]" 1
618 1 12 LYS QG 1 13 ASN QB 3.836 2.050 5.781 2.958 2.496 3.412 . 0 0 "[ . 1]" 1
619 1 12 LYS HB3 1 13 ASN QB 4.263 2.232 6.231 4.342 4.096 4.713 . 0 0 "[ . 1]" 1
620 1 13 ASN QB 1 16 GLU QG 4.933 . 7.038 5.417 4.591 6.201 . 0 0 "[ . 1]" 1
621 1 12 LYS QD 1 13 ASN QB 4.025 2.090 5.960 3.849 3.301 4.869 . 0 0 "[ . 1]" 1
622 1 16 GLU QB 1 16 GLU QG 2.958 . 4.052 2.043 1.986 2.144 . 0 0 "[ . 1]" 1
623 1 15 ASP HB2 1 16 GLU QG 4.048 2.024 6.072 4.124 3.128 5.521 . 0 0 "[ . 1]" 1
624 1 13 ASN QB 1 119 TYR QE 4.549 . 7.136 5.089 4.316 5.604 . 0 0 "[ . 1]" 1
625 1 13 ASN QB 1 14 TYR H 3.909 2.051 4.932 3.841 3.659 4.070 . 0 0 "[ . 1]" 1
626 1 13 ASN QB 1 118 THR H 4.254 2.063 6.223 5.009 4.376 5.615 . 0 0 "[ . 1]" 1
627 1 101 SER HA 1 110 GLU QG 3.915 . 5.840 3.705 2.862 5.130 . 0 0 "[ . 1]" 1
628 1 9 GLU H 1 9 GLU QG 3.074 . 4.255 3.853 3.087 4.305 0.050 2 0 "[ . 1]" 1
629 1 6 PHE H 1 39 GLU QG 4.099 . 6.279 4.511 3.847 6.356 0.077 7 0 "[ . 1]" 1
630 1 121 ARG QB 1 122 VAL H 2.933 . 4.100 2.604 2.134 3.568 . 0 0 "[ . 1]" 1
631 1 62 LYS HA 1 62 LYS HB2 2.571 . 3.397 3.018 2.522 3.153 . 0 0 "[ . 1]" 1
632 1 62 LYS HA 1 62 LYS HB3 2.644 . 3.518 2.511 2.251 2.815 . 0 0 "[ . 1]" 1
633 1 62 LYS H 1 62 LYS HB2 3.011 . 4.144 2.692 2.288 3.789 . 0 0 "[ . 1]" 1
634 1 67 LYS HB3 1 68 GLU H 3.450 . 5.001 3.561 2.934 4.180 . 0 0 "[ . 1]" 1
635 1 64 THR HB 1 67 LYS HB2 2.891 . 3.867 2.841 2.135 3.499 . 0 0 "[ . 1]" 1
636 1 64 THR HB 1 67 LYS HB3 3.086 . 4.277 2.565 2.208 2.953 . 0 0 "[ . 1]" 1
637 1 85 MET QB 1 86 GLU QG 4.363 . 6.743 4.979 4.448 5.404 . 0 0 "[ . 1]" 1
638 1 62 LYS HB3 1 62 LYS QG 2.549 . 3.361 2.323 2.127 2.520 . 0 0 "[ . 1]" 1
639 1 12 LYS HB2 1 12 LYS QG 2.347 . 3.036 2.366 2.238 2.479 . 0 0 "[ . 1]" 1
640 1 5 LYS HG3 1 39 GLU QG 3.827 2.075 5.579 3.298 2.056 5.294 0.019 5 0 "[ . 1]" 1
641 1 5 LYS HG2 1 39 GLU QG 3.894 2.046 5.742 2.410 1.965 4.097 0.081 10 0 "[ . 1]" 1
642 1 121 ARG QB 1 121 ARG HG3 2.390 . 3.104 2.274 2.100 2.644 . 0 0 "[ . 1]" 1
643 1 23 ILE HB 1 28 ILE HG12 3.410 . 4.839 3.251 2.411 4.487 . 0 0 "[ . 1]" 1
644 1 18 MET HB3 1 23 ILE HB 4.113 2.202 6.024 2.877 2.313 4.579 . 0 0 "[ . 1]" 1
645 1 18 MET HB2 1 23 ILE HB 4.057 2.107 6.007 4.236 3.445 5.804 . 0 0 "[ . 1]" 1
646 1 5 LYS HB2 1 5 LYS QE 3.011 . 4.144 3.780 3.379 4.091 . 0 0 "[ . 1]" 1
647 1 67 LYS HB2 1 67 LYS QE 3.966 . 5.932 3.651 2.377 4.273 . 0 0 "[ . 1]" 1
648 1 67 LYS HB3 1 67 LYS QE 3.328 . 4.713 3.783 2.115 4.432 . 0 0 "[ . 1]" 1
649 1 8 MET HB3 1 35 LYS HA 4.905 . 7.811 4.617 4.085 5.251 . 0 0 "[ . 1]" 1
650 1 8 MET HB2 1 35 LYS HA 4.820 2.094 7.546 6.188 5.428 7.004 . 0 0 "[ . 1]" 1
651 1 8 MET HB2 1 8 MET HG3 2.865 . 3.891 2.554 2.293 3.059 . 0 0 "[ . 1]" 1
652 1 83 VAL HA 1 92 VAL HB 3.523 . 5.075 4.707 4.564 4.938 . 0 0 "[ . 1]" 1
653 1 29 GLU HB3 1 29 GLU QG 2.528 . 3.327 2.407 2.149 2.551 . 0 0 "[ . 1]" 1
654 1 84 GLN QG 1 86 GLU QG 4.184 . 6.380 3.934 2.464 5.026 . 0 0 "[ . 1]" 1
655 1 103 ILE HB 1 103 ILE QG 2.149 . 2.727 2.236 2.036 2.429 . 0 0 "[ . 1]" 1
656 1 29 GLU H 1 29 GLU QG . . 2.822 2.619 2.278 3.982 1.160 1 1 "[+ . 1]" 1
657 1 23 ILE H 1 23 ILE HB 2.611 . 3.463 2.830 2.574 3.674 0.211 10 0 "[ . 1]" 1
658 1 103 ILE H 1 103 ILE HB 2.298 . 2.958 2.708 2.299 3.422 0.464 3 0 "[ . 1]" 1
659 1 91 VAL H 1 91 VAL HB 3.628 . 5.273 3.536 3.164 3.798 . 0 0 "[ . 1]" 1
660 1 5 LYS H 1 5 LYS HB3 2.482 . 3.252 3.015 2.743 3.384 0.132 8 0 "[ . 1]" 1
661 1 29 GLU QG 1 30 LYS H 3.660 . 5.382 3.011 2.225 4.481 . 0 0 "[ . 1]" 1
662 1 92 VAL H 1 92 VAL HB 3.194 . 4.469 3.876 3.815 3.951 . 0 0 "[ . 1]" 1
663 1 107 LYS HB3 1 108 LEU H 3.206 . 4.591 2.556 2.047 2.936 . 0 0 "[ . 1]" 1
664 1 91 VAL HB 1 98 HIS HE1 3.838 2.031 5.645 3.896 2.882 5.464 . 0 0 "[ . 1]" 1
665 1 40 VAL H 1 40 VAL HB 2.187 . 2.785 2.707 2.569 2.925 0.140 7 0 "[ . 1]" 1
666 1 61 ASN QD 1 72 GLN QG 4.077 2.145 6.261 4.106 3.165 5.674 . 0 0 "[ . 1]" 1
667 1 72 GLN H 1 72 GLN QG 2.622 . 3.481 3.152 2.377 3.934 0.453 5 0 "[ . 1]" 1
668 1 72 GLN QG 1 73 THR H 3.740 2.092 5.473 3.865 3.399 4.306 . 0 0 "[ . 1]" 1
669 1 3 THR H 1 40 VAL HB 3.435 . 5.012 4.315 3.942 4.676 . 0 0 "[ . 1]" 1
670 1 89 LYS H 1 89 LYS QB 3.736 . 5.481 2.637 2.130 3.164 . 0 0 "[ . 1]" 1
671 1 80 LYS H 1 80 LYS QB 2.760 . 2.916 2.614 2.247 3.035 0.119 6 0 "[ . 1]" 1
672 1 80 LYS QB 1 81 ALA H 3.660 2.108 5.212 3.661 3.475 3.953 . 0 0 "[ . 1]" 1
673 1 86 GLU H 1 89 LYS QB 3.974 2.146 5.614 3.479 2.652 4.685 . 0 0 "[ . 1]" 1
674 1 2 PHE HA 1 103 ILE HB 5.054 . 8.247 5.659 4.083 6.711 . 0 0 "[ . 1]" 1
675 1 80 LYS QB 1 80 LYS QE 3.302 . 4.665 3.313 2.077 3.848 . 0 0 "[ . 1]" 1
676 1 89 LYS QB 1 89 LYS QE 2.453 . 3.205 3.039 2.041 3.774 0.569 9 1 "[ . +1]" 1
677 1 72 GLN QB 1 72 GLN QG 2.346 . 3.034 2.076 1.974 2.134 . 0 0 "[ . 1]" 1
678 1 8 MET HB3 1 8 MET HG3 2.961 . 4.057 2.978 2.443 3.188 . 0 0 "[ . 1]" 1
679 1 120 GLU H 1 120 GLU HB2 2.709 . 3.627 3.297 3.096 3.579 . 0 0 "[ . 1]" 1
680 1 11 GLU QG 1 12 LYS H 3.967 . 5.995 4.565 4.297 4.907 . 0 0 "[ . 1]" 1
681 1 111 VAL H 1 111 VAL HB 2.715 . 3.636 3.298 3.016 3.575 . 0 0 "[ . 1]" 1
682 1 109 VAL H 1 109 VAL HB 2.226 . 2.846 2.715 2.331 3.091 0.245 5 0 "[ . 1]" 1
683 1 18 MET HB2 1 18 MET HG2 1.907 . 2.362 2.530 2.387 2.956 0.594 4 1 "[ +. 1]" 1
684 1 124 LYS QB 1 124 LYS QG . . 2.228 2.093 1.985 2.162 . 0 0 "[ . 1]" 1
685 1 120 GLU HB2 1 120 GLU QG 2.454 . 3.207 2.345 2.257 2.553 . 0 0 "[ . 1]" 1
686 1 30 LYS QB 1 31 ALA H 3.314 2.101 4.527 2.647 2.230 3.827 . 0 0 "[ . 1]" 1
687 1 18 MET H 1 18 MET HG3 3.210 . 4.498 3.684 2.773 3.965 . 0 0 "[ . 1]" 1
688 1 18 MET H 1 18 MET HG2 3.345 . 4.744 2.779 2.296 3.980 . 0 0 "[ . 1]" 1
689 1 99 GLN QG 1 100 THR H 3.428 2.096 4.927 2.651 1.892 3.677 0.204 10 0 "[ . 1]" 1
690 1 41 GLN HE21 1 41 GLN HG2 2.575 . 3.404 2.718 2.093 3.616 0.212 1 0 "[ . 1]" 1
691 1 41 GLN HE21 1 41 GLN HG3 2.483 . 3.254 2.927 2.441 3.646 0.392 6 0 "[ . 1]" 1
692 1 41 GLN HE22 1 41 GLN HG2 3.452 . 4.941 3.721 3.411 4.154 . 0 0 "[ . 1]" 1
693 1 41 GLN HE22 1 41 GLN HG3 3.448 . 4.934 3.782 3.592 4.095 . 0 0 "[ . 1]" 1
694 1 119 TYR H 1 120 GLU HB2 3.863 2.066 5.660 4.763 3.936 5.196 . 0 0 "[ . 1]" 1
695 1 9 GLU HB3 1 9 GLU QG 2.205 . 2.813 2.417 2.206 2.561 . 0 0 "[ . 1]" 1
696 1 8 MET HA 1 8 MET HG3 2.865 . 3.891 2.709 2.421 3.534 . 0 0 "[ . 1]" 1
697 1 99 GLN HE22 1 99 GLN QG 3.170 . 4.426 3.337 3.209 3.505 . 0 0 "[ . 1]" 1
698 1 99 GLN HA 1 99 GLN QG 2.503 . 3.286 2.964 2.137 3.619 0.333 7 0 "[ . 1]" 1
699 1 39 GLU HA 1 39 GLU HB2 2.757 . 3.707 2.978 2.377 3.097 . 0 0 "[ . 1]" 1
700 1 104 VAL HA 1 104 VAL HB 2.613 . 3.466 3.061 2.990 3.185 . 0 0 "[ . 1]" 1
701 1 39 GLU HB2 1 50 SER HB2 3.927 . 5.972 3.111 2.047 5.623 . 0 0 "[ . 1]" 1
702 1 18 MET HA 1 18 MET HG2 3.083 . 4.271 3.062 2.375 3.625 . 0 0 "[ . 1]" 1
703 1 41 GLN HG2 1 48 THR HB 3.958 . 6.052 5.033 4.245 5.476 . 0 0 "[ . 1]" 1
704 1 41 GLN HG3 1 48 THR HB 3.806 . 5.691 4.793 3.824 5.461 . 0 0 "[ . 1]" 1
705 1 39 GLU HB3 1 50 SER HB2 3.977 . 5.961 4.108 3.347 5.377 . 0 0 "[ . 1]" 1
706 1 18 MET HG2 1 28 ILE HG12 3.569 2.140 4.998 4.280 3.454 4.742 . 0 0 "[ . 1]" 1
707 1 11 GLU QG 1 14 TYR HB3 3.837 . 5.681 3.998 3.488 4.645 . 0 0 "[ . 1]" 1
708 1 49 TRP QB 1 51 GLN QE 4.854 2.136 5.200 4.657 3.309 6.034 0.834 2 1 "[ + . 1]" 1
709 1 49 TRP QB 1 49 TRP HE3 2.970 . 3.765 2.459 2.362 2.605 . 0 0 "[ . 1]" 1
710 1 49 TRP QB 1 61 ASN QD 4.692 . 7.395 5.087 3.249 6.559 . 0 0 "[ . 1]" 1
711 1 49 TRP QB 1 50 SER H 3.688 . 5.477 3.712 2.720 4.153 . 0 0 "[ . 1]" 1
712 1 94 PHE H 1 98 HIS QB 3.362 . 4.734 3.895 3.530 4.419 . 0 0 "[ . 1]" 1
713 1 98 HIS QB 1 98 HIS HD2 2.804 . 3.787 2.670 2.511 3.042 . 0 0 "[ . 1]" 1
714 1 98 HIS QB 1 113 THR H 3.873 . 5.805 3.535 2.754 4.106 . 0 0 "[ . 1]" 1
715 1 49 TRP H 1 49 TRP QB 2.829 . 3.616 2.493 2.171 3.212 . 0 0 "[ . 1]" 1
716 1 84 GLN QE 1 84 GLN QG 2.721 . 3.447 2.481 2.191 2.812 . 0 0 "[ . 1]" 1
717 1 51 GLN QE 1 51 GLN HG3 2.833 . 3.836 2.877 2.399 3.419 . 0 0 "[ . 1]" 1
718 1 84 GLN QG 1 91 VAL H 4.571 . 7.216 4.368 3.070 5.492 . 0 0 "[ . 1]" 1
719 1 51 GLN HG3 1 52 HIS H 3.761 2.065 5.457 4.437 3.129 5.232 . 0 0 "[ . 1]" 1
720 1 92 VAL H 1 99 GLN QG 3.931 . 5.905 4.017 3.038 5.073 . 0 0 "[ . 1]" 1
721 1 84 GLN H 1 84 GLN QG . . 2.139 2.576 2.081 3.091 0.952 6 5 "[ *- .+ **1]" 1
722 1 85 MET QG 1 89 LYS H 3.962 . 5.927 4.375 3.280 5.384 . 0 0 "[ . 1]" 1
723 1 65 VAL H 1 65 VAL HB 2.220 . 2.836 2.442 2.209 2.770 . 0 0 "[ . 1]" 1
724 1 74 MET QB 1 75 GLY H 3.221 2.062 4.380 2.858 2.355 3.514 . 0 0 "[ . 1]" 1
725 1 61 ASN QD 1 72 GLN QB 3.974 2.115 5.833 2.640 2.034 4.833 0.081 2 0 "[ . 1]" 1
726 1 72 GLN QB 1 72 GLN QE 2.709 . 3.627 3.096 2.297 3.758 0.131 9 0 "[ . 1]" 1
727 1 72 GLN QB 1 73 THR H 3.168 . 4.455 2.658 2.331 3.069 . 0 0 "[ . 1]" 1
728 1 77 LYS H 1 77 LYS HB2 2.302 . 2.964 2.648 2.300 3.011 0.047 1 0 "[ . 1]" 1
729 1 77 LYS H 1 77 LYS HB3 2.640 . 3.511 2.491 2.219 3.549 0.038 4 0 "[ . 1]" 1
730 1 19 LYS QB 1 20 LEU H 2.598 . 3.441 2.485 2.144 2.623 . 0 0 "[ . 1]" 1
731 1 42 GLN QE 1 42 GLN QG 2.223 . 2.841 2.272 2.153 2.432 . 0 0 "[ . 1]" 1
732 1 63 PHE QE 1 83 VAL HB 4.504 . 7.210 2.833 1.967 4.350 . 0 0 "[ . 1]" 1
733 1 47 PHE HB3 1 49 TRP QB 4.819 2.078 7.560 5.245 3.820 6.885 . 0 0 "[ . 1]" 1
734 1 93 ASN HA 1 98 HIS QB 3.403 2.076 4.248 3.246 2.652 3.771 . 0 0 "[ . 1]" 1
735 1 51 GLN HB2 1 51 GLN HG2 2.465 . 3.225 2.778 2.433 3.075 . 0 0 "[ . 1]" 1
736 1 51 GLN HA 1 51 GLN HG3 3.022 . 4.163 2.815 2.210 3.711 . 0 0 "[ . 1]" 1
737 1 85 MET QB 1 85 MET QG 2.812 . 3.801 2.097 2.082 2.114 . 0 0 "[ . 1]" 1
738 1 72 GLN HA 1 72 GLN QB 2.359 . 3.055 2.391 2.146 2.570 . 0 0 "[ . 1]" 1
739 1 18 MET HB2 1 18 MET HG3 2.059 . 2.589 2.568 2.378 3.103 0.514 7 1 "[ . + 1]" 1
740 1 19 LYS QB 1 19 LYS QE 2.778 . 3.742 2.486 1.968 3.652 . 0 0 "[ . 1]" 1
741 1 85 MET HA 1 85 MET QG 2.722 . 3.648 2.291 2.115 2.414 . 0 0 "[ . 1]" 1
742 1 42 GLN QG 1 44 GLY QA 4.407 . 6.815 5.412 3.441 7.453 0.638 6 1 "[ .+ 1]" 1
743 1 83 VAL HA 1 83 VAL HB 2.526 . 3.324 3.042 2.933 3.124 . 0 0 "[ . 1]" 1
744 1 74 MET HA 1 74 MET QG 2.530 . 3.330 2.746 2.181 3.238 . 0 0 "[ . 1]" 1
745 1 72 GLN QB 1 76 GLY HA2 3.692 2.035 5.349 2.820 2.376 3.433 . 0 0 "[ . 1]" 1
746 1 18 MET HA 1 18 MET HB2 2.326 . 3.002 3.025 2.977 3.050 0.048 7 0 "[ . 1]" 1
747 1 11 GLU HA 1 11 GLU HB3 2.793 . 3.768 2.450 2.163 3.126 . 0 0 "[ . 1]" 1
748 1 18 MET HB3 1 18 MET HG2 2.706 . 3.621 2.862 2.258 3.045 . 0 0 "[ . 1]" 1
749 1 18 MET HB3 1 18 MET HG3 2.360 . 3.056 2.516 2.353 2.955 . 0 0 "[ . 1]" 1
750 1 11 GLU HA 1 11 GLU HB2 2.729 . 3.660 2.996 2.764 3.215 . 0 0 "[ . 1]" 1
751 1 83 VAL HB 1 91 VAL H 4.078 . 6.174 5.360 5.095 5.950 . 0 0 "[ . 1]" 1
752 1 83 VAL HB 1 84 GLN H 2.398 . 3.121 4.016 3.764 4.410 1.289 6 10 [**-**+****] 1
753 1 45 GLN QG 1 65 VAL H 3.671 2.092 5.208 3.468 2.776 4.828 . 0 0 "[ . 1]" 1
754 1 72 GLN QG 1 79 PHE H 4.487 2.136 6.838 4.626 3.985 5.622 . 0 0 "[ . 1]" 1
755 1 72 GLN QE 1 72 GLN QG 3.884 2.152 5.616 2.302 2.118 2.506 0.034 3 0 "[ . 1]" 1
756 1 45 GLN QG 1 46 ASP H 4.286 . 6.582 4.564 4.320 4.768 . 0 0 "[ . 1]" 1
757 1 79 PHE QE 1 92 VAL HB 4.534 . 7.123 5.353 3.780 6.056 . 0 0 "[ . 1]" 1
758 1 8 MET HB2 1 36 ILE H 3.823 . 5.788 4.530 2.988 6.059 0.271 3 0 "[ . 1]" 1
759 1 102 GLU QG 1 103 ILE H 3.423 . 5.003 3.471 2.227 3.955 . 0 0 "[ . 1]" 1
760 1 5 LYS HB2 1 6 PHE H 3.523 2.043 5.003 4.383 4.037 4.523 . 0 0 "[ . 1]" 1
761 1 5 LYS H 1 5 LYS HB2 2.954 . 4.044 2.833 2.132 3.412 . 0 0 "[ . 1]" 1
762 1 5 LYS HB2 1 127 ALA H 3.882 2.135 5.629 4.629 4.162 5.213 . 0 0 "[ . 1]" 1
763 1 92 VAL HB 1 94 PHE HZ 4.214 . 6.505 5.059 3.900 8.301 1.796 10 1 "[ . +]" 1
764 1 122 VAL HB 1 123 SER H 3.468 . 4.971 3.961 3.615 4.205 . 0 0 "[ . 1]" 1
765 1 8 MET H 1 8 MET HG3 3.462 . 4.960 4.551 4.387 4.932 . 0 0 "[ . 1]" 1
766 1 72 GLN H 1 72 GLN QB 2.223 . 2.841 2.576 2.404 2.984 0.143 1 0 "[ . 1]" 1
767 1 74 MET H 1 74 MET QG 2.406 . 3.130 2.999 2.183 4.067 0.937 9 3 "[ . -*+1]" 1
768 1 125 ARG HB3 1 126 LEU H 3.898 . 5.798 4.066 3.752 4.256 . 0 0 "[ . 1]" 1
769 1 18 MET HB2 1 19 LYS H 3.116 . 4.330 3.012 2.715 3.332 . 0 0 "[ . 1]" 1
770 1 18 MET HB2 1 23 ILE H 4.102 . 6.205 5.462 5.008 6.163 . 0 0 "[ . 1]" 1
771 1 40 VAL H 1 41 GLN QB 4.147 . 6.420 4.984 4.670 5.645 . 0 0 "[ . 1]" 1
772 1 125 ARG HB2 1 126 LEU H 3.906 2.100 5.712 3.130 2.466 4.188 . 0 0 "[ . 1]" 1
773 1 6 PHE QD 1 125 ARG HB2 4.107 . 6.223 3.185 2.532 4.059 . 0 0 "[ . 1]" 1
774 1 35 LYS H 1 35 LYS QB 2.546 . 3.356 3.352 2.993 3.502 0.146 9 0 "[ . 1]" 1
775 1 23 ILE HA 1 27 VAL HB 4.234 2.091 6.377 5.887 5.091 6.780 0.403 5 0 "[ . 1]" 1
776 1 35 LYS HA 1 35 LYS QB 3.096 . 4.294 2.284 2.056 2.477 . 0 0 "[ . 1]" 1
777 1 125 ARG HA 1 125 ARG HB3 2.609 . 3.460 2.636 2.428 3.191 . 0 0 "[ . 1]" 1
778 1 18 MET HB2 1 28 ILE HG12 2.711 . 3.579 2.584 2.214 3.239 . 0 0 "[ . 1]" 1
779 1 41 GLN QB 1 41 GLN HG3 2.423 . 3.157 2.266 2.170 2.440 . 0 0 "[ . 1]" 1
780 1 41 GLN QB 1 41 GLN HG2 1.872 . 2.310 2.353 2.051 2.508 0.198 8 0 "[ . 1]" 1
781 1 18 MET HB3 1 28 ILE HG12 2.825 2.115 3.535 2.414 2.061 2.921 0.054 2 0 "[ . 1]" 1
782 1 86 GLU HB2 1 86 GLU QG 2.112 . 2.669 2.316 2.166 2.530 . 0 0 "[ . 1]" 1
783 1 28 ILE HB 1 28 ILE HG12 2.806 . 3.790 3.019 2.950 3.070 . 0 0 "[ . 1]" 1
784 1 95 PRO HB2 1 95 PRO HD3 3.074 . 4.255 3.851 3.784 4.111 . 0 0 "[ . 1]" 1
785 1 94 PHE HB3 1 95 PRO HB2 4.053 . 6.218 4.501 4.126 5.148 . 0 0 "[ . 1]" 1
786 1 32 ARG HB2 1 32 ARG QD 2.524 . 3.320 2.740 2.305 3.201 . 0 0 "[ . 1]" 1
787 1 95 PRO HB3 1 95 PRO HD2 3.795 . 5.595 3.945 3.839 4.081 . 0 0 "[ . 1]" 1
788 1 34 PHE QD 1 36 ILE QG 4.359 2.064 6.122 4.879 4.067 6.136 0.014 5 0 "[ . 1]" 1
789 1 34 PHE QE 1 36 ILE QG 4.599 . 6.513 5.194 3.369 7.945 1.432 5 1 "[ + 1]" 1
790 1 41 GLN H 1 41 GLN QB 2.885 . 3.925 2.748 2.671 2.870 . 0 0 "[ . 1]" 1
791 1 32 ARG H 1 32 ARG HB3 2.062 . 2.594 2.392 2.156 2.561 . 0 0 "[ . 1]" 1
792 1 36 ILE H 1 36 ILE QG 2.913 . 3.365 2.427 1.769 2.874 0.083 1 0 "[ . 1]" 1
793 1 14 TYR QE 1 32 ARG HB2 3.725 . 5.478 3.078 2.643 3.507 . 0 0 "[ . 1]" 1
794 1 45 GLN QB 1 46 ASP H 3.483 2.244 4.722 3.227 2.788 3.495 . 0 0 "[ . 1]" 1
795 1 57 HIS HB2 1 57 HIS HD2 2.711 . 3.630 2.903 2.690 3.271 . 0 0 "[ . 1]" 1
796 1 52 HIS HA 1 59 MET QG 4.014 2.023 6.005 4.613 3.805 5.550 . 0 0 "[ . 1]" 1
797 1 57 HIS HB2 1 58 THR H 3.524 2.197 4.851 4.183 3.927 4.449 . 0 0 "[ . 1]" 1
798 1 51 GLN H 1 59 MET QG 4.242 2.160 6.324 3.791 2.666 5.242 . 0 0 "[ . 1]" 1
799 1 28 ILE H 1 28 ILE HG13 2.211 . 2.822 1.973 1.702 2.298 . 0 0 "[ . 1]" 1
800 1 89 LYS H 1 89 LYS QD 3.339 . 4.733 4.140 3.466 4.730 . 0 0 "[ . 1]" 1
801 1 53 TYR QE 1 57 HIS HB3 3.798 2.220 5.376 3.024 1.840 3.731 0.380 1 0 "[ . 1]" 1
802 1 3 THR H 1 42 GLN QB 3.362 . 4.775 3.393 2.853 4.113 . 0 0 "[ . 1]" 1
803 1 57 HIS HB3 1 57 HIS HD2 3.231 . 4.536 3.901 3.745 3.968 . 0 0 "[ . 1]" 1
804 1 42 GLN QB 1 42 GLN QE 2.709 . 3.627 3.488 2.291 3.737 0.110 7 0 "[ . 1]" 1
805 1 14 TYR QE 1 32 ARG HB3 3.979 2.166 5.792 2.310 2.111 2.660 0.055 4 0 "[ . 1]" 1
806 1 29 GLU HA 1 32 ARG HB3 3.904 2.121 5.687 4.109 3.559 4.379 . 0 0 "[ . 1]" 1
807 1 28 ILE HA 1 28 ILE HG13 3.123 . 4.342 3.404 3.027 3.675 . 0 0 "[ . 1]" 1
808 1 23 ILE QG 1 28 ILE HG12 4.192 2.022 6.362 4.619 3.132 6.177 . 0 0 "[ . 1]" 1
809 1 27 VAL HB 1 28 ILE HG12 4.339 . 6.733 4.469 3.353 5.755 . 0 0 "[ . 1]" 1
810 1 7 GLU H 1 124 LYS QD 4.395 . 6.892 4.604 3.094 5.410 . 0 0 "[ . 1]" 1
811 1 86 GLU H 1 89 LYS QD 4.556 . 7.148 4.851 4.170 5.645 . 0 0 "[ . 1]" 1
812 1 29 GLU H 1 29 GLU HB3 2.400 . 3.120 2.711 2.333 3.569 0.449 3 0 "[ . 1]" 1
813 1 29 GLU H 1 29 GLU HB2 3.469 . 4.973 3.278 2.290 3.842 . 0 0 "[ . 1]" 1
814 1 19 LYS QD 1 23 ILE H 4.700 . 7.461 5.994 4.554 7.011 . 0 0 "[ . 1]" 1
815 1 89 LYS QD 1 100 THR HB 4.142 2.060 6.224 3.845 2.238 5.041 . 0 0 "[ . 1]" 1
816 1 89 LYS QD 1 101 SER H 4.516 2.102 6.930 4.713 3.210 6.413 . 0 0 "[ . 1]" 1
817 1 68 GLU QB 1 69 SER H 3.016 . 4.153 3.286 3.092 3.484 . 0 0 "[ . 1]" 1
818 1 59 MET HB2 1 59 MET QG 2.318 . 2.990 2.326 2.144 2.562 . 0 0 "[ . 1]" 1
819 1 84 GLN QB 1 85 MET H 3.057 2.028 4.086 2.569 2.329 2.890 . 0 0 "[ . 1]" 1
820 1 125 ARG QG 1 126 LEU H 3.953 2.147 5.759 3.555 2.351 4.266 . 0 0 "[ . 1]" 1
821 1 125 ARG QG 1 127 ALA H 3.978 2.070 5.886 3.603 2.023 4.762 0.047 7 0 "[ . 1]" 1
822 1 125 ARG HA 1 125 ARG QG 3.227 . 4.529 3.224 2.382 3.531 . 0 0 "[ . 1]" 1
823 1 80 LYS QD 1 81 ALA H 4.877 2.172 7.582 5.576 4.979 5.962 . 0 0 "[ . 1]" 1
824 1 67 LYS QD 1 70 ASN QD 4.769 2.177 7.361 4.849 3.368 6.835 . 0 0 "[ . 1]" 1
825 1 5 LYS H 1 5 LYS QD 3.498 . 5.027 4.690 4.435 4.834 . 0 0 "[ . 1]" 1
826 1 35 LYS H 1 35 LYS QD 2.455 . 3.209 2.832 2.332 3.189 . 0 0 "[ . 1]" 1
827 1 27 VAL H 1 29 GLU HB3 4.748 2.097 7.399 6.738 5.599 7.489 0.090 8 0 "[ . 1]" 1
828 1 29 GLU HB2 1 30 LYS H 3.583 . 5.188 3.898 2.663 4.368 . 0 0 "[ . 1]" 1
829 1 28 ILE H 1 29 GLU HB3 4.798 . 7.601 5.275 4.720 6.290 . 0 0 "[ . 1]" 1
830 1 25 SER HA 1 29 GLU HB2 4.273 2.134 6.412 5.525 4.336 6.283 . 0 0 "[ . 1]" 1
831 1 95 PRO HD3 1 95 PRO HG2 2.155 . 2.735 2.764 2.696 2.926 0.191 4 0 "[ . 1]" 1
832 1 95 PRO HB2 1 95 PRO HG2 1.820 . 2.234 2.399 2.304 2.522 0.288 3 0 "[ . 1]" 1
833 1 80 LYS QB 1 80 LYS QD 2.382 . 3.091 2.285 2.057 2.662 . 0 0 "[ . 1]" 1
834 1 125 ARG QG 1 126 LEU HA 3.954 2.064 5.844 3.564 2.959 4.347 . 0 0 "[ . 1]" 1
835 1 125 ARG HB3 1 125 ARG QG 2.253 . 2.888 2.332 2.098 2.457 . 0 0 "[ . 1]" 1
836 1 94 PHE HA 1 95 PRO HG2 3.970 2.082 5.858 4.874 4.662 5.082 . 0 0 "[ . 1]" 1
837 1 12 LYS QD 1 13 ASN H 3.312 . 4.880 3.336 2.511 5.316 0.436 8 0 "[ . 1]" 1
838 1 6 PHE QD 1 125 ARG QG 3.986 2.279 5.693 4.149 3.292 4.691 . 0 0 "[ . 1]" 1
839 1 51 GLN HB3 1 51 GLN HG2 1.821 . 2.236 2.386 2.220 2.757 0.521 2 1 "[ + . 1]" 1
840 1 97 TYR HB2 1 114 ILE QG 3.970 2.167 5.773 3.468 2.712 4.230 . 0 0 "[ . 1]" 1
841 1 95 PRO HB3 1 95 PRO HG2 2.648 . 3.525 2.706 2.593 2.914 . 0 0 "[ . 1]" 1
842 1 108 LEU HB3 1 108 LEU HG 2.799 . 3.779 2.424 2.251 2.825 . 0 0 "[ . 1]" 1
843 1 97 TYR QE 1 114 ILE QG 3.573 2.034 4.266 2.688 1.558 3.787 0.476 4 0 "[ . 1]" 1
844 1 121 ARG HG3 1 122 VAL H 3.749 2.029 5.469 4.159 2.734 4.876 . 0 0 "[ . 1]" 1
845 1 20 LEU HA 1 20 LEU HG 2.376 . 3.082 2.822 2.649 3.013 . 0 0 "[ . 1]" 1
846 1 32 ARG HA 1 32 ARG HG2 2.836 . 3.842 3.792 3.696 3.901 0.059 1 0 "[ . 1]" 1
847 1 32 ARG HB2 1 32 ARG HG3 2.447 . 3.196 2.490 2.242 2.655 . 0 0 "[ . 1]" 1
848 1 32 ARG HA 1 32 ARG HG3 2.694 . 3.602 3.798 3.632 3.925 0.323 10 0 "[ . 1]" 1
849 1 18 MET HA 1 23 ILE QG 4.153 . 6.309 4.150 2.717 5.335 . 0 0 "[ . 1]" 1
850 1 121 ARG HG2 1 122 VAL H 3.840 . 5.773 4.453 2.809 5.217 . 0 0 "[ . 1]" 1
851 1 32 ARG H 1 32 ARG HG2 2.569 . 3.394 2.470 2.097 2.781 . 0 0 "[ . 1]" 1
852 1 32 ARG HG2 1 33 ASN HD21 3.407 2.183 4.631 3.316 2.793 4.034 . 0 0 "[ . 1]" 1
853 1 32 ARG HG3 1 33 ASN HD21 3.366 2.019 4.713 3.407 2.989 3.788 . 0 0 "[ . 1]" 1
854 1 23 ILE H 1 23 ILE QG 2.107 . 2.662 2.586 2.129 3.244 0.582 6 2 "[ -.+ 1]" 1
855 1 32 ARG H 1 32 ARG HG3 2.571 . 3.397 3.719 3.423 3.855 0.458 10 0 "[ . 1]" 1
856 1 32 ARG HG2 1 33 ASN HD22 3.417 . 4.909 4.007 3.464 4.495 . 0 0 "[ . 1]" 1
857 1 71 ILE H 1 71 ILE HG12 3.849 . 5.700 4.068 3.802 4.525 . 0 0 "[ . 1]" 1
858 1 20 LEU HG 1 21 LEU H 3.729 . 5.467 4.727 4.324 5.029 . 0 0 "[ . 1]" 1
859 1 71 ILE H 1 71 ILE HG13 4.064 . 6.128 3.335 2.538 4.254 . 0 0 "[ . 1]" 1
860 1 71 ILE HG13 1 79 PHE QE 4.018 . 6.138 5.698 5.355 6.500 0.362 6 0 "[ . 1]" 1
861 1 20 LEU H 1 20 LEU HG 2.382 . 3.091 2.524 2.151 2.983 . 0 0 "[ . 1]" 1
862 1 23 ILE QG 1 24 SER H 4.335 . 6.684 4.427 4.239 4.562 . 0 0 "[ . 1]" 1
863 1 14 TYR QE 1 32 ARG HG2 4.385 . 6.817 4.406 3.927 4.654 . 0 0 "[ . 1]" 1
864 1 71 ILE HG13 1 83 VAL HB 3.846 . 5.718 5.380 4.883 5.851 0.133 5 0 "[ . 1]" 1
865 1 20 LEU QB 1 20 LEU HG 2.398 . 2.408 2.460 2.324 2.617 0.209 5 0 "[ . 1]" 1
866 1 5 LYS QD 1 5 LYS HG2 2.292 . 2.949 2.205 2.075 2.448 . 0 0 "[ . 1]" 1
867 1 106 ASP HB2 1 107 LYS QG 4.178 . 6.442 3.799 3.172 4.618 . 0 0 "[ . 1]" 1
868 1 62 LYS H 1 62 LYS QG 2.790 . 3.763 3.166 2.245 3.891 0.128 5 0 "[ . 1]" 1
869 1 62 LYS QG 1 63 PHE H 3.944 . 5.889 4.192 3.658 4.693 . 0 0 "[ . 1]" 1
870 1 19 LYS H 1 19 LYS HG3 2.751 . 3.697 3.076 2.377 3.904 0.207 10 0 "[ . 1]" 1
871 1 30 LYS H 1 30 LYS QG 2.404 . 3.127 2.139 1.883 2.436 . 0 0 "[ . 1]" 1
872 1 80 LYS H 1 80 LYS QG 2.510 . 3.298 2.842 1.834 3.492 0.194 6 0 "[ . 1]" 1
873 1 19 LYS QB 1 19 LYS HG2 2.605 . 3.453 2.377 2.097 2.594 . 0 0 "[ . 1]" 1
874 1 77 LYS HB2 1 77 LYS HG3 2.616 . 3.471 2.500 2.240 2.768 . 0 0 "[ . 1]" 1
875 1 67 LYS QE 1 67 LYS HG2 2.190 . 2.789 2.603 2.211 3.582 0.793 4 1 "[ +. 1]" 1
876 1 30 LYS QB 1 30 LYS QG 1.845 . 2.271 2.013 1.967 2.120 . 0 0 "[ . 1]" 1
877 1 64 THR HB 1 67 LYS HG2 3.164 . 4.419 3.987 2.662 4.720 0.301 10 0 "[ . 1]" 1
878 1 86 GLU H 1 89 LYS QG 4.070 2.018 6.161 4.129 2.330 5.128 . 0 0 "[ . 1]" 1
879 1 77 LYS HG2 1 78 THR H 3.173 2.180 4.166 3.297 2.454 3.807 . 0 0 "[ . 1]" 1
880 1 89 LYS H 1 89 LYS QG . . 2.375 2.771 2.207 4.203 1.828 8 2 "[ . +-1]" 1
881 1 67 LYS HG2 1 68 GLU H 3.260 2.121 4.399 2.738 2.064 4.033 0.057 1 0 "[ . 1]" 1
882 1 12 LYS H 1 12 LYS QG 3.126 . 4.348 4.178 3.971 4.373 0.025 4 0 "[ . 1]" 1
883 1 67 LYS HG2 1 70 ASN QD 4.309 2.051 6.567 4.873 2.839 7.488 0.921 8 1 "[ . + 1]" 1
884 1 103 ILE H 1 103 ILE QG 3.163 . 3.353 3.008 2.142 4.294 0.941 1 3 "[+ - .* 1]" 1
885 1 80 LYS QG 1 81 ALA H 3.470 . 4.975 4.423 4.262 4.593 . 0 0 "[ . 1]" 1
886 1 35 LYS H 1 35 LYS QG 2.688 . 3.591 3.406 3.021 3.815 0.224 10 0 "[ . 1]" 1
887 1 35 LYS QG 1 36 ILE H 3.809 2.123 5.495 3.771 3.140 4.807 . 0 0 "[ . 1]" 1
888 1 30 LYS QG 1 31 ALA H 3.398 . 4.876 3.686 2.843 4.191 . 0 0 "[ . 1]" 1
889 1 27 VAL H 1 30 LYS QG 3.923 . 5.847 4.675 4.396 5.005 . 0 0 "[ . 1]" 1
890 1 89 LYS QG 1 101 SER H 4.158 2.092 6.224 4.169 2.357 5.622 . 0 0 "[ . 1]" 1
891 1 7 GLU QB 1 124 LYS QG 4.011 . 6.063 2.713 2.245 4.349 . 0 0 "[ . 1]" 1
892 1 90 LEU MD2 1 90 LEU HG 2.116 . 2.676 2.162 2.124 2.231 . 0 0 "[ . 1]" 1
893 1 124 LYS QG 1 125 ARG H 4.059 . 6.157 4.310 3.780 4.830 . 0 0 "[ . 1]" 1
894 1 7 GLU H 1 124 LYS QG 4.188 2.178 6.115 3.142 2.745 4.424 . 0 0 "[ . 1]" 1
895 1 124 LYS QE 1 124 LYS QG 2.135 . 2.705 2.258 1.994 2.864 0.159 8 0 "[ . 1]" 1
896 1 91 VAL HB 1 91 VAL MG1 1.692 . 2.050 2.147 2.087 2.269 0.219 3 0 "[ . 1]" 1
897 1 2 PHE H 1 3 THR H 2.458 . 3.137 2.434 2.082 2.706 . 0 0 "[ . 1]" 1
898 1 3 THR H 1 4 GLY H 3.548 . 5.103 4.602 4.432 4.807 . 0 0 "[ . 1]" 1
899 1 3 THR H 1 42 GLN H 3.530 2.230 4.830 4.039 3.534 4.561 . 0 0 "[ . 1]" 1
900 1 4 GLY H 1 41 GLN H 3.902 2.099 5.705 4.922 4.658 5.225 . 0 0 "[ . 1]" 1
901 1 5 LYS H 1 6 PHE H 3.554 . 5.133 4.274 3.994 4.514 . 0 0 "[ . 1]" 1
902 1 6 PHE H 1 38 THR H 3.031 . 4.179 3.102 2.835 3.289 . 0 0 "[ . 1]" 1
903 1 6 PHE H 1 7 GLU H 3.570 . 5.163 4.432 4.328 4.577 . 0 0 "[ . 1]" 1
904 1 7 GLU H 1 8 MET H 3.482 . 4.997 4.339 4.131 4.541 . 0 0 "[ . 1]" 1
905 1 9 GLU H 1 10 SER H 3.121 2.106 4.136 3.266 2.605 3.936 . 0 0 "[ . 1]" 1
906 1 10 SER H 1 122 VAL H 3.986 2.078 5.894 5.018 4.087 6.339 0.445 7 0 "[ . 1]" 1
907 1 12 LYS H 1 13 ASN H 3.348 . 4.749 3.968 3.343 4.325 . 0 0 "[ . 1]" 1
908 1 13 ASN H 1 15 ASP H 4.358 . 6.733 4.735 4.293 5.136 . 0 0 "[ . 1]" 1
909 1 16 GLU H 1 17 PHE H 2.587 . 3.423 2.656 2.505 2.886 . 0 0 "[ . 1]" 1
910 1 17 PHE H 1 20 LEU H 3.876 . 5.754 4.815 4.651 4.968 . 0 0 "[ . 1]" 1
911 1 18 MET H 1 19 LYS H 2.572 . 3.317 2.762 2.620 3.071 . 0 0 "[ . 1]" 1
912 1 18 MET H 1 20 LEU H 3.441 . 4.921 4.364 4.093 4.503 . 0 0 "[ . 1]" 1
913 1 19 LYS H 1 20 LEU H 2.878 2.037 3.719 2.801 2.556 3.179 . 0 0 "[ . 1]" 1
914 1 20 LEU H 1 21 LEU H 2.605 . 3.269 2.793 2.489 3.086 . 0 0 "[ . 1]" 1
915 1 21 LEU H 1 22 GLY H 2.520 . 3.082 2.733 2.392 2.968 . 0 0 "[ . 1]" 1
916 1 23 ILE H 1 24 SER H 3.529 . 5.086 4.445 4.143 4.779 . 0 0 "[ . 1]" 1
917 1 25 SER H 1 26 ASP H 2.501 . 3.283 1.834 1.572 2.148 0.147 1 0 "[ . 1]" 1
918 1 25 SER H 1 27 VAL H 3.841 . 5.709 4.587 4.217 5.339 . 0 0 "[ . 1]" 1
919 1 26 ASP H 1 27 VAL H 3.047 . 4.123 3.403 3.132 3.743 . 0 0 "[ . 1]" 1
920 1 27 VAL H 1 28 ILE H 2.382 . 3.124 2.595 2.316 2.777 . 0 0 "[ . 1]" 1
921 1 25 SER H 1 28 ILE H 3.856 . 5.714 4.858 4.467 5.352 . 0 0 "[ . 1]" 1
922 1 30 LYS H 1 31 ALA H 2.544 . 3.369 2.496 2.215 2.714 . 0 0 "[ . 1]" 1
923 1 31 ALA H 1 32 ARG H 2.727 . 3.591 2.910 2.745 3.139 . 0 0 "[ . 1]" 1
924 1 31 ALA H 1 34 PHE H 4.512 . 7.056 5.382 4.891 6.362 . 0 0 "[ . 1]" 1
925 1 33 ASN H 1 34 PHE H 2.892 2.177 3.607 2.909 2.557 3.325 . 0 0 "[ . 1]" 1
926 1 32 ARG H 1 35 LYS H 4.270 . 6.598 5.068 4.667 6.248 . 0 0 "[ . 1]" 1
927 1 36 ILE H 1 37 VAL H 3.866 2.165 5.567 4.574 4.359 4.786 . 0 0 "[ . 1]" 1
928 1 4 GLY H 1 40 VAL H 2.665 . 3.553 2.760 2.350 3.016 . 0 0 "[ . 1]" 1
929 1 41 GLN H 1 50 SER H 3.803 . 5.611 4.951 4.696 5.261 . 0 0 "[ . 1]" 1
930 1 40 VAL H 1 41 GLN H 3.594 . 5.209 4.486 4.323 4.686 . 0 0 "[ . 1]" 1
931 1 42 GLN H 1 43 ASP H 3.618 . 5.254 4.302 3.995 4.487 . 0 0 "[ . 1]" 1
932 1 43 ASP H 1 46 ASP H 3.487 . 5.007 3.563 3.280 3.857 . 0 0 "[ . 1]" 1
933 1 43 ASP H 1 47 PHE H 3.971 . 5.942 4.896 4.543 5.237 . 0 0 "[ . 1]" 1
934 1 44 GLY H 1 46 ASP H 3.797 . 5.599 4.676 4.509 4.792 . 0 0 "[ . 1]" 1
935 1 45 GLN H 1 46 ASP H 2.224 . 2.842 2.372 2.186 2.520 . 0 0 "[ . 1]" 1
936 1 46 ASP H 1 47 PHE H 3.529 . 5.086 4.479 4.169 4.660 . 0 0 "[ . 1]" 1
937 1 48 THR H 1 49 TRP H 3.449 . 4.936 4.162 4.039 4.393 . 0 0 "[ . 1]" 1
938 1 49 TRP H 1 50 SER H 3.497 . 5.026 4.261 3.982 4.377 . 0 0 "[ . 1]" 1
939 1 50 SER H 1 51 GLN H 3.393 . 4.832 4.261 4.080 4.493 . 0 0 "[ . 1]" 1
940 1 52 HIS H 1 53 TYR H 3.416 . 4.879 4.237 4.115 4.396 . 0 0 "[ . 1]" 1
941 1 53 TYR H 1 57 HIS H 2.902 . 3.885 3.252 2.736 3.641 . 0 0 "[ . 1]" 1
942 1 53 TYR H 1 59 MET H 3.737 2.107 5.367 4.807 4.580 5.037 . 0 0 "[ . 1]" 1
943 1 55 GLY H 1 56 GLY H 2.450 . 3.200 2.592 2.047 2.927 . 0 0 "[ . 1]" 1
944 1 56 GLY H 1 57 HIS H 2.709 . 4.213 2.638 1.992 3.206 . 0 0 "[ . 1]" 1
945 1 57 HIS H 1 58 THR H 3.452 . 4.974 4.323 3.925 4.533 . 0 0 "[ . 1]" 1
946 1 61 ASN H 1 62 LYS H 3.522 . 5.073 4.121 3.857 4.413 . 0 0 "[ . 1]" 1
947 1 62 LYS H 1 63 PHE H 3.554 . 5.133 4.360 4.067 4.546 . 0 0 "[ . 1]" 1
948 1 47 PHE H 1 63 PHE H 3.102 . 4.305 3.404 3.190 3.953 . 0 0 "[ . 1]" 1
949 1 48 THR H 1 63 PHE H 3.869 . 5.840 5.140 4.931 5.641 . 0 0 "[ . 1]" 1
950 1 47 PHE H 1 64 THR H 3.918 2.087 5.749 5.010 4.777 5.430 . 0 0 "[ . 1]" 1
951 1 63 PHE H 1 64 THR H 3.472 . 4.979 4.363 4.274 4.449 . 0 0 "[ . 1]" 1
952 1 64 THR H 1 65 VAL H 3.360 . 4.771 4.374 3.995 4.641 . 0 0 "[ . 1]" 1
953 1 67 LYS H 1 68 GLU H 3.885 . 5.772 4.403 4.235 4.488 . 0 0 "[ . 1]" 1
954 1 68 GLU H 1 69 SER H 3.489 . 5.011 4.440 4.253 4.593 . 0 0 "[ . 1]" 1
955 1 69 SER H 1 71 ILE H 3.988 . 5.976 4.224 3.921 4.520 . 0 0 "[ . 1]" 1
956 1 69 SER H 1 70 ASN H 2.814 . 3.704 3.010 2.742 3.397 . 0 0 "[ . 1]" 1
957 1 72 GLN H 1 73 THR H 3.545 . 5.116 4.512 4.341 4.796 . 0 0 "[ . 1]" 1
958 1 74 MET H 1 76 GLY H 3.836 . 5.675 3.785 3.560 4.159 . 0 0 "[ . 1]" 1
959 1 75 GLY H 1 76 GLY H 2.498 . 3.278 2.452 2.127 2.585 . 0 0 "[ . 1]" 1
960 1 76 GLY H 1 77 LYS H 2.485 . 3.140 2.572 1.993 2.821 . 0 0 "[ . 1]" 1
961 1 74 MET H 1 77 LYS H 3.860 . 5.723 5.037 4.625 5.431 . 0 0 "[ . 1]" 1
962 1 77 LYS H 1 78 THR H 3.691 . 5.394 4.509 4.286 4.819 . 0 0 "[ . 1]" 1
963 1 78 THR H 1 79 PHE H 3.536 . 5.142 4.572 4.231 4.718 . 0 0 "[ . 1]" 1
964 1 71 ILE H 1 80 LYS H 5.374 . 8.848 6.108 5.736 6.629 . 0 0 "[ . 1]" 1
965 1 79 PHE H 1 80 LYS H 3.457 . 4.951 4.478 4.363 4.583 . 0 0 "[ . 1]" 1
966 1 80 LYS H 1 81 ALA H 3.288 . 4.639 4.091 3.748 4.442 . 0 0 "[ . 1]" 1
967 1 82 THR H 1 83 VAL H 3.449 . 4.936 4.315 4.127 4.655 . 0 0 "[ . 1]" 1
968 1 66 GLY H 1 84 GLN H 3.818 2.087 5.549 4.896 4.745 5.029 . 0 0 "[ . 1]" 1
969 1 84 GLN H 1 85 MET H 3.659 . 5.333 4.530 4.440 4.601 . 0 0 "[ . 1]" 1
970 1 85 MET H 1 86 GLU H 3.608 . 5.235 4.145 3.530 4.410 . 0 0 "[ . 1]" 1
971 1 86 GLU H 1 91 VAL H 3.936 . 5.875 4.819 4.366 5.612 . 0 0 "[ . 1]" 1
972 1 87 GLY H 1 88 GLY H 3.198 2.118 4.278 2.846 2.250 4.010 . 0 0 "[ . 1]" 1
973 1 88 GLY H 1 89 LYS H 2.466 . 3.149 2.386 1.970 2.777 . 0 0 "[ . 1]" 1
974 1 89 LYS H 1 90 LEU H 3.675 . 5.363 4.486 4.284 4.841 . 0 0 "[ . 1]" 1
975 1 90 LEU H 1 101 SER H 2.650 . 3.500 2.789 2.366 3.401 . 0 0 "[ . 1]" 1
976 1 91 VAL H 1 92 VAL H 3.779 . 5.564 4.443 4.280 4.579 . 0 0 "[ . 1]" 1
977 1 92 VAL H 1 99 GLN H 2.345 . 2.932 2.556 2.426 2.802 . 0 0 "[ . 1]" 1
978 1 92 VAL H 1 93 ASN H 3.324 . 4.749 4.424 4.326 4.519 . 0 0 "[ . 1]" 1
979 1 93 ASN N 1 94 PHE H 3.265 . 4.597 3.615 3.249 3.807 . 0 0 "[ . 1]" 1
980 1 99 GLN H 1 100 THR H 3.369 . 4.788 4.419 4.321 4.593 . 0 0 "[ . 1]" 1
981 1 102 GLU H 1 103 ILE H 3.748 . 5.503 4.488 4.327 4.601 . 0 0 "[ . 1]" 1
982 1 103 ILE H 1 104 VAL H 3.779 . 5.564 4.504 4.359 4.666 . 0 0 "[ . 1]" 1
983 1 104 VAL H 1 109 VAL H 3.092 . 4.287 3.967 3.524 4.114 . 0 0 "[ . 1]" 1
984 1 106 ASP H 1 107 LYS H 2.306 . 2.814 2.312 2.014 2.724 . 0 0 "[ . 1]" 1
985 1 107 LYS H 1 108 LEU H 3.714 . 5.438 4.463 4.344 4.600 . 0 0 "[ . 1]" 1
986 1 104 VAL H 1 108 LEU H 3.667 . 5.348 4.696 4.325 4.855 . 0 0 "[ . 1]" 1
987 1 108 LEU H 1 109 VAL H 3.344 . 4.742 4.363 4.121 4.530 . 0 0 "[ . 1]" 1
988 1 109 VAL H 1 110 GLU H 3.602 . 5.224 4.360 4.045 4.550 . 0 0 "[ . 1]" 1
989 1 102 GLU H 1 111 VAL H 3.785 . 5.671 4.963 4.453 5.281 . 0 0 "[ . 1]" 1
990 1 100 THR H 1 112 SER H 3.722 . 5.510 4.951 4.673 5.120 . 0 0 "[ . 1]" 1
991 1 112 SER H 1 121 ARG H 3.907 . 5.825 5.353 4.837 5.668 . 0 0 "[ . 1]" 1
992 1 113 THR H 1 114 ILE H 3.538 . 5.102 4.254 4.100 4.378 . 0 0 "[ . 1]" 1
993 1 114 ILE H 1 115 GLY H 3.538 . 5.102 4.284 4.121 4.527 . 0 0 "[ . 1]" 1
994 1 114 ILE H 1 119 TYR H 3.858 2.083 5.633 5.062 4.690 5.268 . 0 0 "[ . 1]" 1
995 1 115 GLY H 1 116 GLY H 2.551 . 3.192 2.826 2.615 3.072 . 0 0 "[ . 1]" 1
996 1 117 VAL H 1 118 THR H 3.635 . 5.287 4.513 4.363 4.685 . 0 0 "[ . 1]" 1
997 1 118 THR H 1 119 TYR H 3.231 . 4.536 4.570 4.436 4.661 0.125 4 0 "[ . 1]" 1
998 1 119 TYR H 1 120 GLU H 3.529 . 5.086 4.400 4.257 4.576 . 0 0 "[ . 1]" 1
999 1 126 LEU H 1 127 ALA H 2.298 . 2.797 2.102 1.628 2.446 0.171 6 0 "[ . 1]" 1
1000 1 49 TRP HE1 1 51 GLN QE 3.461 2.065 4.457 2.460 1.841 3.254 0.224 9 0 "[ . 1]" 1
1001 1 118 THR HA 1 119 TYR H 2.433 . 3.013 2.156 2.019 2.248 . 0 0 "[ . 1]" 1
1002 1 113 THR HA 1 119 TYR H 2.961 2.008 3.914 3.511 3.351 3.700 . 0 0 "[ . 1]" 1
1003 1 13 ASN QB 1 119 TYR H 4.816 2.100 7.532 4.958 4.507 5.452 . 0 0 "[ . 1]" 1
1004 1 119 TYR H 1 119 TYR HB3 2.669 . 3.560 2.671 2.467 2.843 . 0 0 "[ . 1]" 1
1005 1 118 THR HB 1 119 TYR H 3.200 2.075 4.325 3.858 3.557 4.183 . 0 0 "[ . 1]" 1
1006 1 119 TYR H 1 119 TYR HA 2.481 . 3.251 2.965 2.924 3.033 . 0 0 "[ . 1]" 1
1007 1 49 TRP H 1 62 LYS HA 3.124 2.127 4.121 3.521 3.126 4.025 . 0 0 "[ . 1]" 1
1008 1 49 TRP H 1 62 LYS QG 4.124 . 6.321 4.053 3.106 4.875 . 0 0 "[ . 1]" 1
1009 1 49 TRP H 1 49 TRP HA 2.414 . 3.143 2.980 2.932 3.000 . 0 0 "[ . 1]" 1
1010 1 48 THR HA 1 49 TRP H 2.275 . 2.822 2.074 1.907 2.260 . 0 0 "[ . 1]" 1
1011 1 48 THR HB 1 49 TRP H 3.592 . 5.204 4.283 4.064 4.493 . 0 0 "[ . 1]" 1
1012 1 49 TRP H 1 61 ASN H 2.865 . 3.891 3.251 2.769 3.688 . 0 0 "[ . 1]" 1
1013 1 108 LEU HA 1 109 VAL H 2.605 . 3.369 2.208 2.039 2.408 . 0 0 "[ . 1]" 1
1014 1 103 ILE HA 1 109 VAL H 2.948 . 3.997 3.303 2.819 3.690 . 0 0 "[ . 1]" 1
1015 1 37 VAL H 1 52 HIS HA 3.961 2.076 5.846 4.984 4.776 5.189 . 0 0 "[ . 1]" 1
1016 1 36 ILE HA 1 37 VAL H 2.383 . 3.093 2.270 2.115 2.456 . 0 0 "[ . 1]" 1
1017 1 37 VAL H 1 53 TYR HA 3.501 2.120 4.882 3.835 3.229 4.474 . 0 0 "[ . 1]" 1
1018 1 36 ILE HB 1 37 VAL H 3.259 . 4.587 3.989 3.748 4.388 . 0 0 "[ . 1]" 1
1019 1 66 GLY H 1 83 VAL H 3.199 . 4.478 3.561 3.031 3.980 . 0 0 "[ . 1]" 1
1020 1 83 VAL H 1 83 VAL HB 2.628 . 3.492 2.702 2.645 2.763 . 0 0 "[ . 1]" 1
1021 1 82 THR HA 1 83 VAL H 2.630 . 3.268 2.190 2.051 2.328 . 0 0 "[ . 1]" 1
1022 1 104 VAL H 1 104 VAL HA 2.874 . 3.907 2.947 2.887 3.004 . 0 0 "[ . 1]" 1
1023 1 103 ILE HA 1 104 VAL H 2.305 . 2.869 2.244 2.126 2.328 . 0 0 "[ . 1]" 1
1024 1 104 VAL H 1 104 VAL HB 2.429 . 3.167 2.690 2.470 2.872 . 0 0 "[ . 1]" 1
1025 1 103 ILE HB 1 104 VAL H 3.334 2.030 4.638 4.209 3.914 4.411 . 0 0 "[ . 1]" 1
1026 1 104 VAL H 1 108 LEU HA 2.980 . 4.090 3.075 2.903 3.371 . 0 0 "[ . 1]" 1
1027 1 104 VAL H 1 106 ASP H 3.940 . 5.881 5.306 5.024 5.552 . 0 0 "[ . 1]" 1
1028 1 110 GLU H 1 111 VAL H 3.377 . 4.803 4.430 4.143 4.664 . 0 0 "[ . 1]" 1
1029 1 110 GLU H 1 121 ARG QD 4.543 . 7.122 5.395 4.447 6.277 . 0 0 "[ . 1]" 1
1030 1 110 GLU H 1 122 VAL HA 3.735 . 5.479 3.767 3.386 4.204 . 0 0 "[ . 1]" 1
1031 1 110 GLU H 1 110 GLU QG 4.227 . 6.460 4.083 3.855 4.284 . 0 0 "[ . 1]" 1
1032 1 110 GLU H 1 121 ARG HA 3.773 2.051 5.495 4.733 4.599 4.946 . 0 0 "[ . 1]" 1
1033 1 110 GLU H 1 110 GLU HA 2.532 . 3.333 2.964 2.874 3.011 . 0 0 "[ . 1]" 1
1034 1 42 GLN QE 1 43 ASP H 4.591 . 7.226 5.554 4.452 6.478 . 0 0 "[ . 1]" 1
1035 1 42 GLN QG 1 43 ASP H 3.494 . 5.042 3.379 2.498 4.159 . 0 0 "[ . 1]" 1
1036 1 34 PHE QB 1 35 LYS H 3.376 . 4.839 3.466 1.733 3.901 0.180 5 0 "[ . 1]" 1
1037 1 34 PHE QD 1 35 LYS H 4.064 2.032 6.096 3.397 2.899 4.100 . 0 0 "[ . 1]" 1
1038 1 31 ALA HA 1 35 LYS H 2.811 . 3.716 3.103 2.708 3.572 . 0 0 "[ . 1]" 1
1039 1 42 GLN HA 1 43 ASP H 2.275 . 2.922 2.234 2.120 2.353 . 0 0 "[ . 1]" 1
1040 1 43 ASP H 1 46 ASP HB2 3.921 2.003 5.839 3.960 3.228 5.088 . 0 0 "[ . 1]" 1
1041 1 43 ASP H 1 47 PHE HA 3.483 2.112 4.854 3.635 3.235 4.101 . 0 0 "[ . 1]" 1
1042 1 42 GLN QB 1 43 ASP H 3.517 . 5.063 3.297 2.700 3.962 . 0 0 "[ . 1]" 1
1043 1 125 ARG QD 1 127 ALA H 4.094 . 6.194 4.286 3.006 5.325 . 0 0 "[ . 1]" 1
1044 1 43 ASP H 1 43 ASP HB3 2.378 . 3.085 3.131 2.750 3.762 0.677 2 2 "[ +- . 1]" 1
1045 1 125 ARG HB2 1 127 ALA H 4.126 2.028 6.224 3.502 2.417 5.568 . 0 0 "[ . 1]" 1
1046 1 127 ALA H 1 127 ALA HA 2.393 . 3.109 2.857 2.163 2.993 . 0 0 "[ . 1]" 1
1047 1 39 GLU H 1 49 TRP HD1 4.201 . 6.502 5.629 3.987 7.029 0.527 2 1 "[ + . 1]" 1
1048 1 41 GLN H 1 42 GLN H 3.546 2.003 5.089 4.141 3.863 4.413 . 0 0 "[ . 1]" 1
1049 1 39 GLU H 1 51 GLN HG3 4.864 . 7.730 5.126 4.277 6.005 . 0 0 "[ . 1]" 1
1050 1 43 ASP H 1 44 GLY H 3.397 2.088 4.706 3.959 3.372 4.199 . 0 0 "[ . 1]" 1
1051 1 41 GLN HA 1 42 GLN H 2.264 . 2.905 2.251 2.114 2.448 . 0 0 "[ . 1]" 1
1052 1 42 GLN H 1 42 GLN HA 2.878 . 3.913 2.937 2.850 3.019 . 0 0 "[ . 1]" 1
1053 1 39 GLU H 1 40 VAL HA 3.686 . 5.384 4.760 4.643 5.038 . 0 0 "[ . 1]" 1
1054 1 42 GLN H 1 42 GLN QB 2.397 . 3.115 2.683 2.308 2.916 . 0 0 "[ . 1]" 1
1055 1 39 GLU H 1 40 VAL H 3.625 . 5.294 4.269 4.029 4.389 . 0 0 "[ . 1]" 1
1056 1 39 GLU H 1 39 GLU QG 3.528 . 5.084 3.103 2.488 3.933 . 0 0 "[ . 1]" 1
1057 1 41 GLN QB 1 42 GLN H 3.657 . 5.329 3.708 3.076 4.001 . 0 0 "[ . 1]" 1
1058 1 38 THR HA 1 39 GLU H 2.002 . 2.503 2.166 2.027 2.309 . 0 0 "[ . 1]" 1
1059 1 38 THR HB 1 39 GLU H 3.233 . 4.539 3.977 3.750 4.247 . 0 0 "[ . 1]" 1
1060 1 39 GLU H 1 39 GLU HB2 2.329 . 3.007 2.648 2.370 3.259 0.252 7 0 "[ . 1]" 1
1061 1 39 GLU H 1 50 SER HB2 3.888 2.146 5.630 3.911 3.270 5.148 . 0 0 "[ . 1]" 1
1062 1 8 MET H 1 9 GLU H 3.428 . 4.931 4.565 4.437 4.748 . 0 0 "[ . 1]" 1
1063 1 5 LYS QE 1 126 LEU H 4.005 . 6.129 4.574 3.780 5.908 . 0 0 "[ . 1]" 1
1064 1 8 MET H 1 36 ILE H 4.163 2.073 6.253 4.738 4.030 5.846 . 0 0 "[ . 1]" 1
1065 1 8 MET H 1 38 THR H 3.775 2.015 5.535 4.503 3.910 5.045 . 0 0 "[ . 1]" 1
1066 1 8 MET H 1 8 MET HA 2.713 . 3.633 2.894 2.689 2.995 . 0 0 "[ . 1]" 1
1067 1 8 MET H 1 37 VAL HA 2.841 . 3.850 2.916 2.442 3.217 . 0 0 "[ . 1]" 1
1068 1 8 MET H 1 8 MET HB3 2.432 . 3.171 2.519 2.353 2.829 . 0 0 "[ . 1]" 1
1069 1 8 MET H 1 8 MET HB2 2.224 . 2.842 2.626 2.258 3.078 0.236 3 0 "[ . 1]" 1
1070 1 8 MET H 1 37 VAL H 3.711 . 5.432 5.053 4.713 5.270 . 0 0 "[ . 1]" 1
1071 1 8 MET H 1 124 LYS H 3.952 2.062 5.842 4.973 4.636 5.318 . 0 0 "[ . 1]" 1
1072 1 125 ARG HA 1 126 LEU H 2.431 . 3.170 2.172 2.092 2.218 . 0 0 "[ . 1]" 1
1073 1 5 LYS HB2 1 126 LEU H 4.115 2.023 6.207 5.128 4.560 5.696 . 0 0 "[ . 1]" 1
1074 1 11 GLU HA 1 122 VAL H 4.280 . 6.570 6.217 5.052 7.405 0.835 5 1 "[ + 1]" 1
1075 1 122 VAL H 1 122 VAL HB 2.166 . 2.752 2.769 2.395 3.361 0.609 10 1 "[ . +]" 1
1076 1 122 VAL H 1 123 SER H 3.689 . 5.390 4.456 4.269 4.627 . 0 0 "[ . 1]" 1
1077 1 9 GLU H 1 122 VAL H 4.030 . 6.161 4.827 4.042 6.044 . 0 0 "[ . 1]" 1
1078 1 50 SER H 1 50 SER HB2 2.444 . 3.191 2.810 2.547 3.308 0.117 7 0 "[ . 1]" 1
1079 1 39 GLU HB2 1 50 SER H 4.061 2.108 6.014 4.074 3.710 5.850 . 0 0 "[ . 1]" 1
1080 1 50 SER H 1 50 SER HA 2.839 . 3.847 2.964 2.904 3.034 . 0 0 "[ . 1]" 1
1081 1 10 SER HB2 1 122 VAL H 3.249 . 4.614 2.728 1.978 3.991 . 0 0 "[ . 1]" 1
1082 1 49 TRP HA 1 50 SER H 2.111 . 2.668 2.207 2.038 2.382 . 0 0 "[ . 1]" 1
1083 1 40 VAL HA 1 50 SER H 2.944 . 3.918 3.302 3.044 3.506 . 0 0 "[ . 1]" 1
1084 1 49 TRP HD1 1 50 SER H 3.259 . 4.587 3.559 2.645 4.263 . 0 0 "[ . 1]" 1
1085 1 114 ILE H 1 114 ILE QG 3.837 . 5.678 3.185 2.674 4.426 . 0 0 "[ . 1]" 1
1086 1 113 THR HA 1 114 ILE H 2.293 . 2.750 2.240 2.147 2.375 . 0 0 "[ . 1]" 1
1087 1 114 ILE H 1 114 ILE HB 2.546 . 3.356 2.968 2.634 3.301 . 0 0 "[ . 1]" 1
1088 1 114 ILE H 1 117 VAL HB 3.852 . 5.716 5.062 4.582 5.357 . 0 0 "[ . 1]" 1
1089 1 114 ILE H 1 116 GLY HA2 3.965 2.050 5.880 5.141 4.860 5.431 . 0 0 "[ . 1]" 1
1090 1 47 PHE H 1 65 VAL H 3.612 2.023 5.201 4.453 4.050 5.146 . 0 0 "[ . 1]" 1
1091 1 64 THR HA 1 65 VAL H 2.191 . 2.591 2.215 2.135 2.284 . 0 0 "[ . 1]" 1
1092 1 65 VAL H 1 65 VAL HA 2.490 . 3.265 2.872 2.798 2.927 . 0 0 "[ . 1]" 1
1093 1 63 PHE QD 1 65 VAL H 4.306 2.135 6.477 3.910 3.481 4.329 . 0 0 "[ . 1]" 1
1094 1 45 GLN QB 1 65 VAL H 3.968 . 5.943 3.999 2.603 4.531 . 0 0 "[ . 1]" 1
1095 1 64 THR HB 1 65 VAL H 3.407 . 4.893 4.127 3.983 4.430 . 0 0 "[ . 1]" 1
1096 1 40 VAL H 1 40 VAL HA 2.947 . 4.033 2.978 2.886 3.002 . 0 0 "[ . 1]" 1
1097 1 39 GLU QG 1 40 VAL H 3.929 . 5.914 4.016 3.137 4.622 . 0 0 "[ . 1]" 1
1098 1 3 THR HA 1 40 VAL H 3.398 . 4.842 4.161 3.694 4.472 . 0 0 "[ . 1]" 1
1099 1 39 GLU HA 1 40 VAL H 1.932 . 2.499 2.207 2.063 2.369 . 0 0 "[ . 1]" 1
1100 1 86 GLU H 1 86 GLU HA 2.383 . 3.093 2.956 2.884 3.022 . 0 0 "[ . 1]" 1
1101 1 86 GLU H 1 86 GLU QG 2.102 . 2.654 3.008 2.402 3.505 0.851 2 3 "[ + *. - 1]" 1
1102 1 39 GLU HB3 1 40 VAL H 3.311 . 4.644 3.389 2.890 4.414 . 0 0 "[ . 1]" 1
1103 1 85 MET HA 1 86 GLU H 2.122 . 2.684 2.209 2.018 2.465 . 0 0 "[ . 1]" 1
1104 1 98 HIS H 1 113 THR HB 3.076 . 4.259 3.553 3.149 3.818 . 0 0 "[ . 1]" 1
1105 1 98 HIS H 1 113 THR H 2.749 . 3.693 3.090 2.796 3.372 . 0 0 "[ . 1]" 1
1106 1 98 HIS H 1 115 GLY H 3.885 . 5.875 5.067 4.779 5.335 . 0 0 "[ . 1]" 1
1107 1 97 TYR HA 1 98 HIS H 2.254 . 2.889 2.185 2.093 2.279 . 0 0 "[ . 1]" 1
1108 1 98 HIS H 1 98 HIS QB 2.466 . 3.226 2.717 2.605 3.044 . 0 0 "[ . 1]" 1
1109 1 97 TYR HB3 1 98 HIS H 3.246 . 4.506 3.978 3.591 4.205 . 0 0 "[ . 1]" 1
1110 1 98 HIS H 1 98 HIS HA 2.243 . 2.872 2.934 2.865 2.975 0.103 2 0 "[ . 1]" 1
1111 1 98 HIS H 1 114 ILE HA 3.345 . 4.744 3.528 3.326 3.754 . 0 0 "[ . 1]" 1
1112 1 41 GLN H 1 41 GLN HA 2.812 . 3.801 2.909 2.808 2.991 . 0 0 "[ . 1]" 1
1113 1 98 HIS H 1 114 ILE H 3.703 . 5.517 4.983 4.710 5.312 . 0 0 "[ . 1]" 1
1114 1 59 MET H 1 59 MET QG 2.322 . 2.996 2.634 2.023 3.238 0.242 4 0 "[ . 1]" 1
1115 1 40 VAL HA 1 41 GLN H 2.073 . 2.559 2.238 2.096 2.351 . 0 0 "[ . 1]" 1
1116 1 6 PHE QD 1 38 THR H 3.588 2.067 5.109 4.572 4.039 4.811 . 0 0 "[ . 1]" 1
1117 1 53 TYR QE 1 59 MET H 5.164 . 8.415 5.405 4.526 5.937 . 0 0 "[ . 1]" 1
1118 1 59 MET H 1 59 MET HB2 2.816 . 3.807 3.614 2.882 3.967 0.160 3 0 "[ . 1]" 1
1119 1 38 THR H 1 38 THR HB 2.555 . 3.371 2.715 2.267 3.225 . 0 0 "[ . 1]" 1
1120 1 37 VAL HA 1 38 THR H 2.081 . 2.623 2.306 2.239 2.412 . 0 0 "[ . 1]" 1
1121 1 41 GLN H 1 48 THR HB 2.771 . 3.674 2.865 2.535 3.471 . 0 0 "[ . 1]" 1
1122 1 58 THR HB 1 59 MET H 3.308 . 4.639 4.101 3.830 4.362 . 0 0 "[ . 1]" 1
1123 1 5 LYS QD 1 38 THR H 4.067 . 6.243 3.683 2.770 5.071 . 0 0 "[ . 1]" 1
1124 1 50 SER HB3 1 59 MET H 5.456 . 8.919 5.273 3.918 6.768 . 0 0 "[ . 1]" 1
1125 1 98 HIS H 1 114 ILE HB 5.632 . 9.281 5.765 4.521 6.396 . 0 0 "[ . 1]" 1
1126 1 36 ILE H 1 36 ILE HB 2.432 . 3.171 2.525 2.298 2.846 . 0 0 "[ . 1]" 1
1127 1 8 MET HG3 1 9 GLU H 3.435 . 4.986 3.096 2.320 3.906 . 0 0 "[ . 1]" 1
1128 1 9 GLU H 1 9 GLU HB2 2.243 . 2.872 2.986 2.431 3.714 0.842 8 1 "[ . + 1]" 1
1129 1 9 GLU H 1 9 GLU HA 2.910 . 3.968 2.918 2.826 2.998 . 0 0 "[ . 1]" 1
1130 1 35 LYS HA 1 36 ILE H 2.477 . 3.244 2.351 2.020 2.661 . 0 0 "[ . 1]" 1
1131 1 9 GLU H 1 123 SER HA 2.977 . 4.173 3.207 2.623 3.768 . 0 0 "[ . 1]" 1
1132 1 68 GLU H 1 68 GLU QB 2.970 . 4.073 2.330 2.069 2.493 . 0 0 "[ . 1]" 1
1133 1 67 LYS HA 1 68 GLU H 2.174 . 2.765 2.281 2.106 2.554 . 0 0 "[ . 1]" 1
1134 1 67 LYS HG3 1 68 GLU H 3.051 . 4.277 2.758 1.891 3.157 . 0 0 "[ . 1]" 1
1135 1 71 ILE H 1 79 PHE H 3.624 . 5.266 3.718 3.257 4.428 . 0 0 "[ . 1]" 1
1136 1 91 VAL HA 1 99 GLN H 3.303 . 4.666 3.921 3.721 4.256 . 0 0 "[ . 1]" 1
1137 1 98 HIS QB 1 99 GLN H 3.248 2.160 4.462 3.583 3.455 3.741 . 0 0 "[ . 1]" 1
1138 1 99 GLN H 1 99 GLN QG 2.985 . 4.099 3.712 3.032 4.376 0.277 10 0 "[ . 1]" 1
1139 1 98 HIS HA 1 99 GLN H 2.177 . 2.769 2.342 2.244 2.563 . 0 0 "[ . 1]" 1
1140 1 99 GLN H 1 113 THR H 3.773 2.134 5.412 4.733 4.583 4.950 . 0 0 "[ . 1]" 1
1141 1 112 SER H 1 120 GLU HA 3.128 . 4.351 3.536 3.274 3.779 . 0 0 "[ . 1]" 1
1142 1 112 SER H 1 112 SER HB2 2.782 . 3.750 2.772 2.479 3.970 0.220 10 0 "[ . 1]" 1
1143 1 112 SER H 1 112 SER HB3 3.183 . 4.450 3.413 2.842 3.889 . 0 0 "[ . 1]" 1
1144 1 112 SER H 1 119 TYR H 2.465 . 3.224 2.820 2.561 3.088 . 0 0 "[ . 1]" 1
1145 1 111 VAL H 1 120 GLU HA 3.712 . 5.536 4.645 4.372 4.794 . 0 0 "[ . 1]" 1
1146 1 99 GLN QG 1 111 VAL H 4.751 . 7.573 4.739 3.395 5.926 . 0 0 "[ . 1]" 1
1147 1 111 VAL H 1 111 VAL HA 2.500 . 3.281 2.905 2.842 2.974 . 0 0 "[ . 1]" 1
1148 1 110 GLU QG 1 111 VAL H 3.863 2.139 5.587 2.610 2.245 2.945 . 0 0 "[ . 1]" 1
1149 1 110 GLU HA 1 111 VAL H 2.224 . 2.842 2.227 2.078 2.507 . 0 0 "[ . 1]" 1
1150 1 111 VAL HB 1 112 SER H 3.555 2.139 4.971 4.270 4.081 4.469 . 0 0 "[ . 1]" 1
1151 1 45 GLN H 1 45 GLN QB 2.158 . 2.740 2.276 2.065 2.524 . 0 0 "[ . 1]" 1
1152 1 45 GLN H 1 46 ASP HB2 3.859 2.137 5.581 4.381 4.040 4.616 . 0 0 "[ . 1]" 1
1153 1 124 LYS H 1 124 LYS QG 2.508 . 2.782 2.138 1.730 2.601 . 0 0 "[ . 1]" 1
1154 1 7 GLU H 1 124 LYS H 2.806 . 3.790 2.930 2.412 3.272 . 0 0 "[ . 1]" 1
1155 1 8 MET HA 1 124 LYS H 3.431 2.029 4.833 3.682 3.209 4.245 . 0 0 "[ . 1]" 1
1156 1 6 PHE HA 1 124 LYS H 3.823 . 5.650 4.554 4.015 4.954 . 0 0 "[ . 1]" 1
1157 1 124 LYS H 1 124 LYS QB 2.822 . 3.818 2.953 2.689 3.208 . 0 0 "[ . 1]" 1
1158 1 9 GLU H 1 124 LYS H 3.293 . 4.648 4.622 3.892 5.102 0.454 3 0 "[ . 1]" 1
1159 1 123 SER H 1 124 LYS H 3.305 . 4.710 4.384 4.209 4.531 . 0 0 "[ . 1]" 1
1160 1 123 SER HB3 1 124 LYS H 3.403 2.005 4.801 3.668 2.654 4.038 . 0 0 "[ . 1]" 1
1161 1 6 PHE HB2 1 124 LYS H 4.181 2.014 6.348 5.427 4.924 6.238 . 0 0 "[ . 1]" 1
1162 1 108 LEU H 1 124 LYS H 3.977 2.089 5.865 4.978 4.761 5.183 . 0 0 "[ . 1]" 1
1163 1 124 LYS H 1 125 ARG H 3.383 . 4.850 4.535 4.335 4.680 . 0 0 "[ . 1]" 1
1164 1 112 SER H 1 120 GLU H 3.679 . 5.380 4.849 4.572 5.051 . 0 0 "[ . 1]" 1
1165 1 61 ASN H 1 61 ASN HB2 2.534 . 3.337 2.840 2.514 3.680 0.343 1 0 "[ . 1]" 1
1166 1 125 ARG H 1 125 ARG QD . . 3.986 4.080 3.792 4.481 0.495 6 0 "[ . 1]" 1
1167 1 124 LYS HA 1 125 ARG H 2.393 . 3.109 2.219 2.026 2.409 . 0 0 "[ . 1]" 1
1168 1 125 ARG H 1 125 ARG HA 2.832 . 3.835 2.927 2.867 3.002 . 0 0 "[ . 1]" 1
1169 1 6 PHE HB2 1 125 ARG H 5.408 . 8.860 6.542 5.692 7.277 . 0 0 "[ . 1]" 1
1170 1 116 GLY HA2 1 117 VAL H 2.900 . 3.861 3.364 3.121 3.652 . 0 0 "[ . 1]" 1
1171 1 125 ARG H 1 125 ARG QG 2.811 . 3.798 2.778 2.207 3.980 0.182 7 0 "[ . 1]" 1
1172 1 114 ILE H 1 117 VAL H 2.824 . 3.699 3.051 2.599 3.376 . 0 0 "[ . 1]" 1
1173 1 125 ARG H 1 125 ARG HB3 2.296 . 2.955 2.613 2.407 2.819 . 0 0 "[ . 1]" 1
1174 1 117 VAL H 1 117 VAL HB 2.169 . 2.757 2.809 2.468 3.047 0.290 3 0 "[ . 1]" 1
1175 1 107 LYS H 1 125 ARG H 4.439 . 6.902 5.558 5.088 6.059 . 0 0 "[ . 1]" 1
1176 1 83 VAL H 1 84 GLN H 3.554 . 5.133 4.549 4.253 4.705 . 0 0 "[ . 1]" 1
1177 1 13 ASN HD21 1 120 GLU H 5.405 . 8.859 6.102 5.584 7.937 . 0 0 "[ . 1]" 1
1178 1 79 PHE H 1 79 PHE QE 3.706 . 5.423 4.334 4.077 4.607 . 0 0 "[ . 1]" 1
1179 1 84 GLN H 1 92 VAL HA 3.258 . 4.531 3.838 3.404 4.169 . 0 0 "[ . 1]" 1
1180 1 107 LYS HA 1 125 ARG H 3.390 2.076 4.704 3.468 3.148 3.935 . 0 0 "[ . 1]" 1
1181 1 60 THR HB 1 61 ASN H 2.466 . 3.226 2.920 2.527 3.423 0.197 4 0 "[ . 1]" 1
1182 1 83 VAL HA 1 84 GLN H 2.227 . 2.847 2.239 2.153 2.315 . 0 0 "[ . 1]" 1
1183 1 13 ASN QB 1 120 GLU H 4.422 . 6.353 4.399 3.838 4.874 . 0 0 "[ . 1]" 1
1184 1 84 GLN H 1 91 VAL H 2.604 . 3.388 2.799 2.649 3.163 . 0 0 "[ . 1]" 1
1185 1 84 GLN H 1 84 GLN QB 2.342 . 3.028 2.827 2.218 3.189 0.161 7 0 "[ . 1]" 1
1186 1 60 THR HA 1 61 ASN H 2.148 . 2.725 2.173 2.031 2.534 . 0 0 "[ . 1]" 1
1187 1 84 GLN H 1 84 GLN HA 2.488 . 3.262 2.993 2.963 3.016 . 0 0 "[ . 1]" 1
1188 1 12 LYS H 1 120 GLU H 3.796 . 5.673 4.196 3.349 4.941 . 0 0 "[ . 1]" 1
1189 1 102 GLU H 1 109 VAL H 2.899 . 3.910 3.415 3.024 3.631 . 0 0 "[ . 1]" 1
1190 1 120 GLU H 1 121 ARG H 3.409 2.074 4.744 4.177 3.510 4.483 . 0 0 "[ . 1]" 1
1191 1 111 VAL HA 1 120 GLU H 3.655 2.048 5.262 4.738 4.384 4.933 . 0 0 "[ . 1]" 1
1192 1 119 TYR HB3 1 120 GLU H 3.489 2.185 4.793 4.135 3.730 4.398 . 0 0 "[ . 1]" 1
1193 1 102 GLU H 1 102 GLU QG 3.067 . 4.243 2.632 2.272 4.183 . 0 0 "[ . 1]" 1
1194 1 50 SER HA 1 61 ASN H 2.973 . 4.178 3.282 2.812 4.025 . 0 0 "[ . 1]" 1
1195 1 119 TYR QD 1 120 GLU H 4.021 . 6.162 2.974 1.719 3.712 0.161 5 0 "[ . 1]" 1
1196 1 48 THR HA 1 61 ASN H 3.823 . 5.650 4.638 4.117 5.010 . 0 0 "[ . 1]" 1
1197 1 120 GLU H 1 120 GLU HB3 2.479 . 3.247 2.844 2.717 3.043 . 0 0 "[ . 1]" 1
1198 1 101 SER HA 1 102 GLU H 2.146 . 2.721 2.261 2.126 2.426 . 0 0 "[ . 1]" 1
1199 1 12 LYS QG 1 120 GLU H 3.836 . 5.679 3.391 2.442 4.600 . 0 0 "[ . 1]" 1
1200 1 102 GLU H 1 110 GLU QG 5.323 . 8.704 5.280 4.555 6.363 . 0 0 "[ . 1]" 1
1201 1 101 SER H 1 102 GLU H 3.434 2.045 4.823 4.426 4.103 4.678 . 0 0 "[ . 1]" 1
1202 1 78 THR HA 1 79 PHE H 2.143 . 2.717 2.248 2.160 2.380 . 0 0 "[ . 1]" 1
1203 1 79 PHE H 1 79 PHE HA 2.561 . 3.381 2.906 2.791 2.972 . 0 0 "[ . 1]" 1
1204 1 79 PHE H 1 79 PHE QD 2.629 . 3.493 2.384 1.998 2.945 . 0 0 "[ . 1]" 1
1205 1 79 PHE H 1 79 PHE HB3 2.872 . 3.903 3.514 3.335 3.591 . 0 0 "[ . 1]" 1
1206 1 117 VAL HB 1 118 THR H 3.237 . 4.547 4.222 3.910 4.410 . 0 0 "[ . 1]" 1
1207 1 123 SER H 1 123 SER HA 2.202 . 2.808 2.912 2.735 2.991 0.183 9 0 "[ . 1]" 1
1208 1 107 LYS HB3 1 123 SER H 4.172 2.151 6.193 3.905 3.458 4.480 . 0 0 "[ . 1]" 1
1209 1 108 LEU HG 1 123 SER H 4.132 . 6.281 5.408 3.362 6.012 . 0 0 "[ . 1]" 1
1210 1 122 VAL HA 1 123 SER H 2.261 . 2.900 2.235 2.023 2.465 . 0 0 "[ . 1]" 1
1211 1 108 LEU H 1 123 SER H 2.951 . 4.040 2.797 2.481 3.184 . 0 0 "[ . 1]" 1
1212 1 123 SER H 1 123 SER HB3 2.682 . 3.581 2.877 2.404 3.924 0.343 6 0 "[ . 1]" 1
1213 1 89 LYS QB 1 90 LEU H 3.813 2.144 5.482 3.098 2.694 3.931 . 0 0 "[ . 1]" 1
1214 1 90 LEU H 1 90 LEU HB3 3.602 . 5.224 3.680 3.459 3.793 . 0 0 "[ . 1]" 1
1215 1 90 LEU H 1 90 LEU HB2 2.075 . 2.613 2.480 2.230 2.632 0.019 8 0 "[ . 1]" 1
1216 1 6 PHE QD 1 7 GLU H 4.562 . 7.163 4.267 4.065 4.512 . 0 0 "[ . 1]" 1
1217 1 7 GLU H 1 123 SER HB3 4.069 2.098 6.040 4.770 3.096 5.709 . 0 0 "[ . 1]" 1
1218 1 7 GLU H 1 123 SER HA 3.885 2.182 5.588 4.665 4.255 5.092 . 0 0 "[ . 1]" 1
1219 1 7 GLU H 1 7 GLU QB 2.166 . 2.752 2.465 2.281 2.659 . 0 0 "[ . 1]" 1
1220 1 7 GLU H 1 126 LEU H 3.718 2.103 5.333 4.889 4.439 5.188 . 0 0 "[ . 1]" 1
1221 1 61 ASN QD 1 72 GLN H 3.912 2.057 5.767 4.109 3.656 4.686 . 0 0 "[ . 1]" 1
1222 1 72 GLN H 1 72 GLN HA 2.671 . 3.562 2.958 2.892 2.997 . 0 0 "[ . 1]" 1
1223 1 123 SER H 1 123 SER HB2 2.695 . 3.603 3.113 2.523 3.625 0.022 8 0 "[ . 1]" 1
1224 1 90 LEU H 1 101 SER QB 3.883 2.112 5.654 3.155 2.149 4.614 . 0 0 "[ . 1]" 1
1225 1 94 PHE H 1 97 TYR H 3.326 2.064 4.588 3.355 2.758 4.187 . 0 0 "[ . 1]" 1
1226 1 94 PHE H 1 94 PHE QD 3.021 . 4.162 3.305 2.638 4.423 0.261 10 0 "[ . 1]" 1
1227 1 27 VAL H 1 28 ILE HG13 5.523 2.128 8.918 3.739 3.469 4.200 . 0 0 "[ . 1]" 1
1228 1 27 VAL H 1 27 VAL HB 2.321 . 2.994 2.648 2.525 2.925 . 0 0 "[ . 1]" 1
1229 1 27 VAL H 1 27 VAL HA 2.654 . 3.534 2.901 2.844 2.945 . 0 0 "[ . 1]" 1
1230 1 93 ASN HB3 1 94 PHE H 3.754 . 5.602 3.546 3.110 4.106 . 0 0 "[ . 1]" 1
1231 1 27 VAL H 1 30 LYS H 3.907 . 5.893 5.201 4.922 5.473 . 0 0 "[ . 1]" 1
1232 1 68 GLU HA 1 81 ALA H 3.411 2.078 4.744 3.654 3.158 4.555 . 0 0 "[ . 1]" 1
1233 1 68 GLU HA 1 69 SER H 2.138 . 2.710 2.271 2.056 2.520 . 0 0 "[ . 1]" 1
1234 1 69 SER H 1 81 ALA H 2.611 . 3.422 2.933 2.649 3.230 . 0 0 "[ . 1]" 1
1235 1 94 PHE H 1 97 TYR QD 4.128 . 6.258 4.827 4.304 5.367 . 0 0 "[ . 1]" 1
1236 1 69 SER H 1 69 SER HB3 2.857 . 3.877 3.702 2.985 4.183 0.306 2 0 "[ . 1]" 1
1237 1 92 VAL H 1 98 HIS HA 3.423 . 4.891 4.088 3.927 4.296 . 0 0 "[ . 1]" 1
1238 1 91 VAL HA 1 92 VAL H 2.185 . 2.782 2.238 2.156 2.368 . 0 0 "[ . 1]" 1
1239 1 107 LYS HB2 1 108 LEU H 3.449 2.099 4.799 3.664 3.329 3.992 . 0 0 "[ . 1]" 1
1240 1 52 HIS H 1 59 MET H 3.710 . 5.450 4.943 4.712 5.113 . 0 0 "[ . 1]" 1
1241 1 108 LEU H 1 108 LEU HA 2.658 . 3.541 2.988 2.939 3.021 . 0 0 "[ . 1]" 1
1242 1 37 VAL H 1 52 HIS H 2.807 . 3.792 3.111 2.884 3.509 . 0 0 "[ . 1]" 1
1243 1 108 LEU H 1 108 LEU HB2 2.358 . 3.053 2.548 2.206 3.239 0.186 9 0 "[ . 1]" 1
1244 1 51 GLN HG2 1 52 HIS H 3.781 2.157 5.405 4.663 4.099 5.122 . 0 0 "[ . 1]" 1
1245 1 51 GLN HB3 1 52 HIS H 3.363 . 4.861 2.970 2.407 4.169 . 0 0 "[ . 1]" 1
1246 1 52 HIS H 1 52 HIS HA 2.428 . 3.165 2.980 2.920 3.020 . 0 0 "[ . 1]" 1
1247 1 51 GLN HB2 1 52 HIS H 3.751 . 5.565 3.933 3.515 4.536 . 0 0 "[ . 1]" 1
1248 1 6 PHE H 1 38 THR HB 3.710 . 5.528 3.613 2.155 5.095 . 0 0 "[ . 1]" 1
1249 1 5 LYS HA 1 6 PHE H 1.943 . 2.415 2.155 1.997 2.220 . 0 0 "[ . 1]" 1
1250 1 6 PHE H 1 6 PHE QD 2.541 . 3.348 2.746 2.417 3.223 . 0 0 "[ . 1]" 1
1251 1 5 LYS QD 1 6 PHE H 3.894 2.093 5.695 2.538 1.929 3.454 0.164 7 0 "[ . 1]" 1
1252 1 110 GLU H 1 121 ARG H 2.865 . 3.764 2.924 2.555 3.198 . 0 0 "[ . 1]" 1
1253 1 121 ARG H 1 121 ARG QB 2.348 . 3.037 2.968 2.531 3.287 0.250 6 0 "[ . 1]" 1
1254 1 120 GLU QG 1 121 ARG H 3.111 . 4.268 2.814 2.128 3.914 . 0 0 "[ . 1]" 1
1255 1 110 GLU QG 1 121 ARG H 4.538 . 7.103 4.291 3.645 5.279 . 0 0 "[ . 1]" 1
1256 1 121 ARG H 1 121 ARG QD 3.815 . 5.634 4.248 3.112 4.975 . 0 0 "[ . 1]" 1
1257 1 24 SER H 1 25 SER H 2.770 . 3.729 2.821 2.435 3.103 . 0 0 "[ . 1]" 1
1258 1 23 ILE HA 1 24 SER H 2.181 . 2.872 2.259 2.085 2.529 . 0 0 "[ . 1]" 1
1259 1 34 PHE H 1 54 SER HB3 4.387 2.100 6.674 5.984 5.186 6.787 0.113 7 0 "[ . 1]" 1
1260 1 106 ASP H 1 106 ASP HB2 2.773 . 3.734 2.545 2.323 3.028 . 0 0 "[ . 1]" 1
1261 1 106 ASP H 1 107 LYS QG 4.083 2.183 5.983 3.517 2.888 4.944 . 0 0 "[ . 1]" 1
1262 1 33 ASN QB 1 34 PHE H 3.135 . 4.364 2.357 1.915 2.835 . 0 0 "[ . 1]" 1
1263 1 34 PHE H 1 35 LYS H 2.543 . 3.415 2.481 2.041 2.977 . 0 0 "[ . 1]" 1
1264 1 70 ASN H 1 71 ILE H 2.743 . 3.729 2.378 1.902 3.258 . 0 0 "[ . 1]" 1
1265 1 93 ASN H 1 94 PHE H 3.392 . 4.811 4.101 3.696 4.311 . 0 0 "[ . 1]" 1
1266 1 93 ASN H 1 93 ASN HB2 2.537 . 3.341 3.044 2.477 3.875 0.534 8 1 "[ . + 1]" 1
1267 1 92 VAL HB 1 93 ASN H 2.652 . 3.531 2.401 2.227 2.577 . 0 0 "[ . 1]" 1
1268 1 93 ASN H 1 93 ASN HA 2.746 . 3.689 2.938 2.884 2.974 . 0 0 "[ . 1]" 1
1269 1 69 SER HB3 1 70 ASN H 3.636 . 5.289 4.434 4.122 4.568 . 0 0 "[ . 1]" 1
1270 1 20 LEU H 1 20 LEU HA 2.250 . 2.883 2.832 2.756 2.906 0.023 5 0 "[ . 1]" 1
1271 1 51 GLN H 1 59 MET HB2 4.274 . 6.558 4.609 3.381 5.459 . 0 0 "[ . 1]" 1
1272 1 51 GLN H 1 59 MET H 2.954 . 4.045 3.160 2.792 3.485 . 0 0 "[ . 1]" 1
1273 1 51 GLN H 1 58 THR HA 3.951 2.075 5.827 4.801 4.353 5.336 . 0 0 "[ . 1]" 1
1274 1 51 GLN H 1 51 GLN HB2 2.576 . 3.406 2.599 2.331 2.812 . 0 0 "[ . 1]" 1
1275 1 50 SER HA 1 51 GLN H 2.296 . 2.955 2.106 1.956 2.501 . 0 0 "[ . 1]" 1
1276 1 51 GLN H 1 51 GLN HB3 2.894 . 3.941 3.588 2.632 3.836 . 0 0 "[ . 1]" 1
1277 1 51 GLN H 1 51 GLN HG2 3.590 . 5.201 4.130 2.924 4.772 . 0 0 "[ . 1]" 1
1278 1 47 PHE H 1 48 THR H 3.405 . 4.810 4.417 4.314 4.533 . 0 0 "[ . 1]" 1
1279 1 77 LYS H 1 77 LYS HG2 3.498 . 5.028 4.371 4.144 4.553 . 0 0 "[ . 1]" 1
1280 1 77 LYS H 1 77 LYS HG3 4.020 . 6.040 4.425 3.074 4.740 . 0 0 "[ . 1]" 1
1281 1 47 PHE H 1 47 PHE HB2 2.416 . 3.145 2.884 2.477 3.601 0.456 10 0 "[ . 1]" 1
1282 1 76 GLY HA3 1 77 LYS H 2.935 . 3.870 3.498 3.360 3.751 . 0 0 "[ . 1]" 1
1283 1 72 GLN QG 1 77 LYS H 5.119 . 8.395 5.128 4.332 6.276 . 0 0 "[ . 1]" 1
1284 1 77 LYS H 1 77 LYS HA 2.550 . 3.363 2.924 2.751 3.017 . 0 0 "[ . 1]" 1
1285 1 76 GLY HA2 1 77 LYS H 2.730 . 3.661 3.118 2.734 3.272 . 0 0 "[ . 1]" 1
1286 1 73 THR H 1 77 LYS H 2.767 . 3.724 2.759 2.229 3.122 . 0 0 "[ . 1]" 1
1287 1 75 GLY H 1 77 LYS H 3.145 . 4.329 3.776 3.319 4.033 . 0 0 "[ . 1]" 1
1288 1 29 GLU H 1 32 ARG H 3.827 . 5.658 4.894 4.599 5.218 . 0 0 "[ . 1]" 1
1289 1 32 ARG H 1 32 ARG HB2 3.360 . 4.771 3.587 3.432 3.779 . 0 0 "[ . 1]" 1
1290 1 62 LYS H 1 62 LYS HA 2.370 . 3.072 2.961 2.867 3.014 . 0 0 "[ . 1]" 1
1291 1 62 LYS H 1 62 LYS QD 2.340 . 3.025 3.897 2.805 4.726 1.701 7 7 "[ ***.*+ -*]" 1
1292 1 32 ARG H 1 33 ASN H 3.125 . 4.345 2.822 2.710 2.972 . 0 0 "[ . 1]" 1
1293 1 53 TYR H 1 53 TYR HA 2.763 . 3.717 2.926 2.829 2.977 . 0 0 "[ . 1]" 1
1294 1 48 THR HA 1 62 LYS H 3.811 . 5.743 4.974 4.623 5.480 . 0 0 "[ . 1]" 1
1295 1 61 ASN HA 1 62 LYS H 2.136 . 2.704 2.227 2.134 2.360 . 0 0 "[ . 1]" 1
1296 1 62 LYS H 1 62 LYS HB3 3.362 . 4.775 3.680 3.452 3.876 . 0 0 "[ . 1]" 1
1297 1 49 TRP H 1 62 LYS H 3.723 . 5.456 4.979 4.537 5.250 . 0 0 "[ . 1]" 1
1298 1 28 ILE H 1 28 ILE HB 2.333 . 3.013 2.833 2.463 3.255 0.242 1 0 "[ . 1]" 1
1299 1 26 ASP H 1 28 ILE H 3.354 . 4.760 4.261 3.966 4.529 . 0 0 "[ . 1]" 1
1300 1 26 ASP HB3 1 28 ILE H 4.092 . 6.287 4.834 4.403 5.142 . 0 0 "[ . 1]" 1
1301 1 28 ILE H 1 28 ILE HG12 3.095 . 4.292 2.800 2.362 3.336 . 0 0 "[ . 1]" 1
1302 1 83 VAL HA 1 91 VAL H 3.445 . 4.928 4.191 3.965 4.473 . 0 0 "[ . 1]" 1
1303 1 74 MET H 1 74 MET QB . . 3.075 2.333 2.192 2.565 . 0 0 "[ . 1]" 1
1304 1 73 THR HB 1 74 MET H 2.454 . 3.207 2.016 1.793 2.284 . 0 0 "[ . 1]" 1
1305 1 29 GLU HA 1 30 LYS H 2.886 . 3.822 3.476 3.378 3.561 . 0 0 "[ . 1]" 1
1306 1 30 LYS H 1 30 LYS QB 1.934 . 2.402 2.576 2.457 2.784 0.382 6 0 "[ . 1]" 1
1307 1 28 ILE H 1 30 LYS H 3.367 2.091 4.643 4.035 3.748 4.325 . 0 0 "[ . 1]" 1
1308 1 21 LEU H 1 23 ILE H 3.761 . 5.714 4.106 3.874 4.261 . 0 0 "[ . 1]" 1
1309 1 22 GLY HA3 1 23 ILE H 2.820 . 3.745 3.458 3.268 3.572 . 0 0 "[ . 1]" 1
1310 1 22 GLY H 1 23 ILE H 1.942 . 2.513 2.030 1.855 2.299 . 0 0 "[ . 1]" 1
1311 1 22 GLY HA2 1 23 ILE H 2.768 . 3.611 3.220 2.942 3.462 . 0 0 "[ . 1]" 1
1312 1 85 MET H 1 85 MET HA 2.364 . 3.063 2.968 2.932 2.986 . 0 0 "[ . 1]" 1
1313 1 66 GLY HA3 1 67 LYS H 2.739 . 3.677 3.362 3.228 3.508 . 0 0 "[ . 1]" 1
1314 1 67 LYS H 1 67 LYS HA 2.571 . 3.397 2.950 2.856 2.993 . 0 0 "[ . 1]" 1
1315 1 67 LYS H 1 67 LYS HB2 2.083 . 2.626 2.793 2.366 3.029 0.403 5 0 "[ . 1]" 1
1316 1 66 GLY H 1 67 LYS H 2.224 . 2.842 2.655 2.582 2.705 . 0 0 "[ . 1]" 1
1317 1 46 ASP H 1 46 ASP HB2 2.311 . 2.979 2.501 2.308 2.734 . 0 0 "[ . 1]" 1
1318 1 46 ASP H 1 46 ASP HB3 3.433 . 4.906 3.421 2.244 3.730 . 0 0 "[ . 1]" 1
1319 1 66 GLY HA2 1 67 LYS H 3.157 . 4.403 3.251 3.085 3.371 . 0 0 "[ . 1]" 1
1320 1 43 ASP HB3 1 46 ASP H 4.100 . 6.225 4.438 3.862 4.762 . 0 0 "[ . 1]" 1
1321 1 86 GLU QG 1 89 LYS H 4.499 . 7.029 5.407 4.152 6.424 . 0 0 "[ . 1]" 1
1322 1 86 GLU H 1 89 LYS H 3.108 2.042 4.174 3.073 2.378 3.915 . 0 0 "[ . 1]" 1
1323 1 84 GLN HA 1 85 MET H 2.465 . 3.225 2.336 2.164 2.523 . 0 0 "[ . 1]" 1
1324 1 104 VAL HA 1 105 GLY H 2.389 . 3.102 2.152 2.067 2.254 . 0 0 "[ . 1]" 1
1325 1 105 GLY H 1 105 GLY HA2 2.365 . 3.064 2.227 2.097 2.335 . 0 0 "[ . 1]" 1
1326 1 105 GLY H 1 106 ASP H 3.829 . 5.729 4.453 4.298 4.583 . 0 0 "[ . 1]" 1
1327 1 85 MET HA 1 89 LYS H 3.786 . 5.573 3.992 3.418 4.815 . 0 0 "[ . 1]" 1
1328 1 105 GLY H 1 105 GLY HA3 2.227 . 2.847 2.836 2.735 2.960 0.113 1 0 "[ . 1]" 1
1329 1 85 MET QB 1 89 LYS H 4.072 . 6.303 4.301 3.003 5.477 . 0 0 "[ . 1]" 1
1330 1 5 LYS H 1 5 LYS QE 3.641 . 5.298 5.089 4.549 6.176 0.878 2 1 "[ + . 1]" 1
1331 1 97 TYR HA 1 113 THR H 3.818 2.042 5.594 4.863 4.616 5.168 . 0 0 "[ . 1]" 1
1332 1 5 LYS H 1 40 VAL H 3.989 . 5.978 5.015 4.810 5.240 . 0 0 "[ . 1]" 1
1333 1 5 LYS H 1 126 LEU H 3.857 2.011 5.703 3.853 3.204 5.041 . 0 0 "[ . 1]" 1
1334 1 4 GLY HA2 1 5 LYS H 2.802 2.150 3.454 2.752 2.352 3.006 . 0 0 "[ . 1]" 1
1335 1 4 GLY HA3 1 5 LYS H 2.973 . 4.078 2.446 2.066 2.727 . 0 0 "[ . 1]" 1
1336 1 82 THR H 1 82 THR HA 2.796 . 3.773 2.952 2.850 3.032 . 0 0 "[ . 1]" 1
1337 1 81 ALA HA 1 82 THR H 2.075 . 2.613 2.431 2.203 2.609 . 0 0 "[ . 1]" 1
1338 1 113 THR H 1 119 TYR H 3.751 . 5.510 4.807 4.568 4.942 . 0 0 "[ . 1]" 1
1339 1 82 THR H 1 82 THR HB 2.179 . 2.773 2.512 2.353 2.654 . 0 0 "[ . 1]" 1
1340 1 12 LYS H 1 12 LYS HB2 2.357 . 3.051 3.214 2.807 3.567 0.516 3 1 "[ + . 1]" 1
1341 1 12 LYS H 1 12 LYS HA 2.888 . 3.930 2.940 2.852 3.008 . 0 0 "[ . 1]" 1
1342 1 11 GLU HA 1 12 LYS H 2.431 . 3.170 2.373 2.156 2.859 . 0 0 "[ . 1]" 1
1343 1 12 LYS H 1 12 LYS HB3 2.425 . 3.160 2.737 2.437 3.109 . 0 0 "[ . 1]" 1
1344 1 26 ASP H 1 26 ASP HB2 2.169 . 2.757 2.381 2.069 2.687 . 0 0 "[ . 1]" 1
1345 1 26 ASP H 1 26 ASP HA 2.261 . 2.900 2.664 2.571 2.780 . 0 0 "[ . 1]" 1
1346 1 31 ALA H 1 31 ALA HA 2.408 . 3.133 2.749 2.708 2.801 . 0 0 "[ . 1]" 1
1347 1 2 PHE H 1 2 PHE HB3 3.095 . 4.292 3.639 3.534 3.769 . 0 0 "[ . 1]" 1
1348 1 2 PHE H 1 2 PHE HB2 3.157 . 4.403 2.461 2.294 2.732 . 0 0 "[ . 1]" 1
1349 1 2 PHE H 1 42 GLN QE 4.076 . 6.259 3.754 2.675 4.863 . 0 0 "[ . 1]" 1
1350 1 2 PHE H 1 42 GLN QB 3.876 . 5.810 2.819 2.142 3.540 . 0 0 "[ . 1]" 1
1351 1 20 LEU QB 1 21 LEU H 2.918 2.223 3.849 2.838 2.495 3.314 . 0 0 "[ . 1]" 1
1352 1 21 LEU H 1 21 LEU HA 2.404 . 3.127 2.890 2.836 2.948 . 0 0 "[ . 1]" 1
1353 1 79 PHE HB2 1 80 LYS H 2.387 . 3.099 2.198 1.945 2.412 . 0 0 "[ . 1]" 1
1354 1 80 LYS H 1 80 LYS QD 2.039 . 2.559 3.215 1.987 4.385 1.826 1 5 "[+ * - **]" 1
1355 1 24 SER HA 1 25 SER H 3.088 . 4.280 3.607 3.473 3.667 . 0 0 "[ . 1]" 1
1356 1 64 THR H 1 64 THR HA 2.920 . 3.986 2.953 2.903 2.987 . 0 0 "[ . 1]" 1
1357 1 63 PHE HA 1 64 THR H 2.275 . 2.922 2.438 2.174 2.576 . 0 0 "[ . 1]" 1
1358 1 63 PHE HB2 1 64 THR H 2.950 2.037 3.863 2.389 2.143 2.729 . 0 0 "[ . 1]" 1
1359 1 64 THR H 1 64 THR HB 2.488 . 3.262 2.715 2.465 2.866 . 0 0 "[ . 1]" 1
1360 1 25 SER H 1 28 ILE HB 4.502 . 7.035 5.382 4.907 6.432 . 0 0 "[ . 1]" 1
1361 1 47 PHE HB2 1 48 THR H 3.790 . 5.763 4.184 3.856 4.560 . 0 0 "[ . 1]" 1
1362 1 47 PHE HB3 1 48 THR H 3.883 . 5.793 3.765 2.637 4.341 . 0 0 "[ . 1]" 1
1363 1 41 GLN H 1 48 THR H 2.968 2.007 3.929 3.319 3.042 3.660 . 0 0 "[ . 1]" 1
1364 1 48 THR H 1 48 THR HA 2.525 . 3.322 2.945 2.826 3.049 . 0 0 "[ . 1]" 1
1365 1 64 THR H 1 67 LYS HB3 3.870 2.140 5.600 3.451 3.084 3.718 . 0 0 "[ . 1]" 1
1366 1 47 PHE HA 1 48 THR H 2.205 . 2.813 2.168 2.059 2.329 . 0 0 "[ . 1]" 1
1367 1 33 ASN H 1 33 ASN HA 2.683 . 3.583 2.919 2.795 3.022 . 0 0 "[ . 1]" 1
1368 1 48 THR H 1 62 LYS HA 3.989 2.053 5.925 4.928 4.594 5.328 . 0 0 "[ . 1]" 1
1369 1 13 ASN QB 1 17 PHE H 4.784 . 6.676 4.541 4.085 5.063 . 0 0 "[ . 1]" 1
1370 1 13 ASN HD21 1 17 PHE H 3.814 2.086 5.542 4.483 2.888 5.301 . 0 0 "[ . 1]" 1
1371 1 17 PHE H 1 19 LYS H 3.584 . 5.189 4.254 3.974 4.485 . 0 0 "[ . 1]" 1
1372 1 17 PHE H 1 18 MET H 2.521 . 3.315 2.898 2.698 3.107 . 0 0 "[ . 1]" 1
1373 1 17 PHE H 1 17 PHE HA 2.188 . 2.786 2.828 2.788 2.869 0.083 7 0 "[ . 1]" 1
1374 1 16 GLU QG 1 17 PHE H 3.732 . 5.665 4.179 3.943 4.553 . 0 0 "[ . 1]" 1
1375 1 17 PHE H 1 17 PHE HB3 2.530 . 3.330 2.541 2.264 2.826 . 0 0 "[ . 1]" 1
1376 1 53 TYR HA 1 54 SER H 2.874 . 3.907 2.268 2.031 2.501 . 0 0 "[ . 1]" 1
1377 1 54 SER H 1 54 SER HB2 2.925 . 3.994 2.924 2.047 4.102 0.108 4 0 "[ . 1]" 1
1378 1 14 TYR H 1 14 TYR HA 2.365 . 3.064 2.781 2.701 2.881 . 0 0 "[ . 1]" 1
1379 1 77 LYS HB3 1 78 THR H 3.429 . 4.876 4.165 2.919 4.478 . 0 0 "[ . 1]" 1
1380 1 14 TYR H 1 15 ASP H 2.728 . 3.505 2.872 2.444 3.098 . 0 0 "[ . 1]" 1
1381 1 14 TYR H 1 119 TYR QD 3.863 2.139 5.587 3.962 3.408 4.625 . 0 0 "[ . 1]" 1
1382 1 57 HIS HA 1 58 THR H 2.055 . 2.583 2.273 2.046 2.443 . 0 0 "[ . 1]" 1
1383 1 77 LYS HG3 1 78 THR H 2.978 2.055 3.901 3.466 2.771 4.767 0.866 4 1 "[ +. 1]" 1
1384 1 78 THR H 1 78 THR HB 2.370 . 3.072 2.681 2.455 3.038 . 0 0 "[ . 1]" 1
1385 1 14 TYR H 1 14 TYR HB2 3.108 . 4.315 3.568 3.474 3.675 . 0 0 "[ . 1]" 1
1386 1 78 THR H 1 78 THR HA 2.671 . 3.562 2.898 2.794 2.979 . 0 0 "[ . 1]" 1
1387 1 13 ASN H 1 14 TYR H 2.572 . 3.308 2.627 2.011 2.862 . 0 0 "[ . 1]" 1
1388 1 57 HIS HB3 1 58 THR H 3.350 . 4.840 3.954 3.432 4.301 . 0 0 "[ . 1]" 1
1389 1 58 THR H 1 58 THR HA 2.292 . 2.949 2.944 2.847 2.988 0.039 10 0 "[ . 1]" 1
1390 1 58 THR H 1 58 THR HB 2.214 . 2.827 2.510 2.353 2.899 0.072 8 0 "[ . 1]" 1
1391 1 15 ASP H 1 15 ASP HA 2.199 . 2.804 2.813 2.744 2.870 0.066 7 0 "[ . 1]" 1
1392 1 14 TYR HB2 1 15 ASP H 3.572 2.115 5.029 3.857 3.701 4.184 . 0 0 "[ . 1]" 1
1393 1 14 TYR HA 1 15 ASP H 2.989 . 4.027 3.571 3.517 3.682 . 0 0 "[ . 1]" 1
1394 1 15 ASP H 1 15 ASP HB3 3.308 . 4.676 3.159 2.446 3.621 . 0 0 "[ . 1]" 1
1395 1 12 LYS QG 1 13 ASN H 4.080 . 6.190 3.656 3.132 4.415 . 0 0 "[ . 1]" 1
1396 1 93 ASN HB2 1 93 ASN QD . . 3.043 2.521 2.201 3.275 0.232 8 0 "[ . 1]" 1
1397 1 13 ASN H 1 13 ASN HA 1.970 . 2.455 2.261 2.184 2.350 . 0 0 "[ . 1]" 1
1398 1 93 ASN H 1 93 ASN QD 2.479 . 3.247 3.679 3.376 3.941 0.694 4 4 "[* -+* 1]" 1
1399 1 91 VAL HA 1 101 SER H 3.827 . 5.658 4.198 3.752 5.010 . 0 0 "[ . 1]" 1
1400 1 89 LYS HA 1 101 SER H 3.486 2.045 4.927 4.040 3.139 4.717 . 0 0 "[ . 1]" 1
1401 1 100 THR HA 1 101 SER H 2.179 . 2.773 2.271 2.059 2.473 . 0 0 "[ . 1]" 1
1402 1 100 THR HB 1 101 SER H 3.480 2.011 4.949 3.679 2.846 4.529 . 0 0 "[ . 1]" 1
1403 1 89 LYS QB 1 101 SER H 3.776 . 5.739 3.190 2.087 4.402 . 0 0 "[ . 1]" 1
1404 1 61 ASN HB3 1 61 ASN QD 2.454 . 3.207 2.792 2.046 3.253 0.046 7 0 "[ . 1]" 1
1405 1 16 GLU H 1 16 GLU QG 1.565 . 1.871 2.380 2.034 2.650 0.779 4 6 "[**-+* * 1]" 1
1406 1 15 ASP HB3 1 16 GLU H 3.613 . 5.281 3.401 2.476 4.150 . 0 0 "[ . 1]" 1
1407 1 16 GLU H 1 16 GLU HA 2.392 . 3.107 2.855 2.721 2.955 . 0 0 "[ . 1]" 1
1408 1 15 ASP HB2 1 16 GLU H 3.806 2.041 5.571 3.178 2.370 3.906 . 0 0 "[ . 1]" 1
1409 1 105 GLY HA2 1 107 LYS H 3.578 . 5.186 4.565 4.341 4.706 . 0 0 "[ . 1]" 1
1410 1 107 LYS H 1 107 LYS QG 2.169 . 2.757 2.831 2.510 3.816 1.059 5 1 "[ + 1]" 1
1411 1 106 ASP HB2 1 107 LYS H 3.910 2.052 5.768 3.802 3.416 4.500 . 0 0 "[ . 1]" 1
1412 1 104 VAL H 1 107 LYS H 2.929 . 3.893 3.565 3.392 3.731 . 0 0 "[ . 1]" 1
1413 1 107 LYS H 1 107 LYS HB2 2.290 . 2.945 2.552 2.230 2.776 . 0 0 "[ . 1]" 1
1414 1 107 LYS H 1 107 LYS HA 2.662 . 3.547 2.970 2.918 3.010 . 0 0 "[ . 1]" 1
1415 1 97 TYR H 1 97 TYR HB3 2.254 . 2.889 2.803 2.521 3.124 0.235 3 0 "[ . 1]" 1
1416 1 96 ASN HA 1 97 TYR H 2.999 2.055 3.943 3.462 3.104 3.666 . 0 0 "[ . 1]" 1
1417 1 97 TYR H 1 97 TYR HB2 2.602 . 3.448 3.099 2.564 3.385 . 0 0 "[ . 1]" 1
1418 1 96 ASN HB2 1 97 TYR H 3.676 . 5.365 4.249 3.786 4.556 . 0 0 "[ . 1]" 1
1419 1 97 TYR H 1 97 TYR HA 2.975 . 4.081 2.925 2.879 2.980 . 0 0 "[ . 1]" 1
1420 1 4 GLY H 1 41 GLN QB 3.913 . 5.885 4.946 4.572 5.574 . 0 0 "[ . 1]" 1
1421 1 28 ILE HB 1 29 GLU H 2.479 . 3.247 2.697 2.507 2.930 . 0 0 "[ . 1]" 1
1422 1 29 GLU H 1 30 LYS H 2.450 . 3.200 2.669 2.318 2.879 . 0 0 "[ . 1]" 1
1423 1 28 ILE HG13 1 29 GLU H 3.841 2.032 5.650 3.827 3.154 4.155 . 0 0 "[ . 1]" 1
1424 1 52 HIS HA 1 57 HIS H 3.655 2.062 5.248 4.348 3.776 4.979 . 0 0 "[ . 1]" 1
1425 1 28 ILE H 1 29 GLU H 2.727 . 3.657 2.747 2.538 2.965 . 0 0 "[ . 1]" 1
1426 1 29 GLU H 1 31 ALA H 3.518 . 5.094 4.296 3.983 4.642 . 0 0 "[ . 1]" 1
1427 1 4 GLY H 1 5 LYS H 3.505 . 5.010 4.482 4.294 4.711 . 0 0 "[ . 1]" 1
1428 1 4 GLY H 1 40 VAL HB 2.596 . 3.439 2.454 2.148 3.015 . 0 0 "[ . 1]" 1
1429 1 4 GLY H 1 41 GLN HA 3.841 2.232 5.450 4.008 3.571 4.306 . 0 0 "[ . 1]" 1
1430 1 3 THR HA 1 4 GLY H 2.037 . 2.556 2.226 1.990 2.435 . 0 0 "[ . 1]" 1
1431 1 19 LYS H 1 19 LYS HG2 2.641 . 3.513 3.248 2.578 3.852 0.339 7 0 "[ . 1]" 1
1432 1 4 GLY H 1 39 GLU HA 3.773 2.034 5.512 4.605 4.168 4.981 . 0 0 "[ . 1]" 1
1433 1 19 LYS H 1 19 LYS QB 2.020 . 2.530 2.250 2.013 2.446 . 0 0 "[ . 1]" 1
1434 1 18 MET HG2 1 19 LYS H 4.489 . 7.007 4.850 4.551 5.675 . 0 0 "[ . 1]" 1
1435 1 57 HIS H 1 57 HIS HB2 2.488 . 3.262 3.254 2.500 3.822 0.560 5 1 "[ + 1]" 1
1436 1 57 HIS H 1 57 HIS HA 2.569 . 3.394 2.904 2.576 2.999 . 0 0 "[ . 1]" 1
1437 1 57 HIS H 1 57 HIS HB3 2.382 . 3.091 2.993 2.575 3.419 0.328 5 0 "[ . 1]" 1
1438 1 56 GLY QA 1 57 HIS H 2.998 2.038 3.958 2.674 2.235 2.909 . 0 0 "[ . 1]" 1
1439 1 4 GLY H 1 40 VAL HA 3.628 . 5.274 4.477 4.264 4.685 . 0 0 "[ . 1]" 1
1440 1 55 GLY HA2 1 57 HIS H 4.199 . 6.478 5.095 3.911 6.294 . 0 0 "[ . 1]" 1
1441 1 55 GLY H 1 57 HIS H 3.836 . 5.712 4.382 3.489 5.197 . 0 0 "[ . 1]" 1
1442 1 4 GLY H 1 42 GLN H 4.346 2.097 6.595 5.651 5.335 6.235 . 0 0 "[ . 1]" 1
1443 1 11 GLU H 1 11 GLU HA 2.886 . 3.927 2.926 2.819 2.984 . 0 0 "[ . 1]" 1
1444 1 10 SER HA 1 11 GLU H 2.171 . 2.760 2.291 2.121 2.607 . 0 0 "[ . 1]" 1
1445 1 96 ASN HD22 1 115 GLY H 4.259 . 6.587 5.487 4.347 6.379 . 0 0 "[ . 1]" 1
1446 1 18 MET H 1 18 MET HB3 2.735 . 3.670 3.604 3.519 3.731 0.061 1 0 "[ . 1]" 1
1447 1 17 PHE HB3 1 18 MET H 3.325 . 4.694 2.594 2.319 2.848 . 0 0 "[ . 1]" 1
1448 1 100 THR H 1 112 SER HB3 4.171 2.026 6.316 5.060 3.198 5.789 . 0 0 "[ . 1]" 1
1449 1 100 THR H 1 111 VAL H 2.968 . 4.069 3.250 2.611 3.636 . 0 0 "[ . 1]" 1
1450 1 100 THR H 1 100 THR HA 2.479 . 3.247 2.920 2.732 3.015 . 0 0 "[ . 1]" 1
1451 1 42 GLN QG 1 44 GLY H 4.278 . 6.253 4.943 2.460 7.118 0.865 6 2 "[ -+ 1]" 1
1452 1 47 PHE HB2 1 63 PHE H 3.976 2.146 5.806 4.107 3.018 5.399 . 0 0 "[ . 1]" 1
1453 1 63 PHE H 1 63 PHE HA 2.709 . 3.626 2.892 2.769 2.974 . 0 0 "[ . 1]" 1
1454 1 62 LYS HB3 1 63 PHE H 3.303 . 4.666 3.403 2.824 3.745 . 0 0 "[ . 1]" 1
1455 1 63 PHE H 1 63 PHE QE 3.179 . 4.442 4.370 4.044 4.770 0.328 3 0 "[ . 1]" 1
1456 1 63 PHE H 1 63 PHE HB3 2.894 . 3.941 3.430 3.236 3.669 . 0 0 "[ . 1]" 1
1457 1 62 LYS HA 1 63 PHE H 2.151 . 2.729 2.218 2.152 2.317 . 0 0 "[ . 1]" 1
1458 1 100 THR H 1 113 THR H 4.121 . 6.243 5.369 5.069 5.635 . 0 0 "[ . 1]" 1
1459 1 46 ASP HA 1 63 PHE H 4.471 . 6.970 5.099 4.950 5.267 . 0 0 "[ . 1]" 1
1460 1 48 THR HA 1 63 PHE H 3.595 2.119 5.071 3.872 3.574 4.274 . 0 0 "[ . 1]" 1
1461 1 49 TRP H 1 63 PHE H 3.989 2.079 5.899 5.020 4.610 5.630 . 0 0 "[ . 1]" 1
1462 1 63 PHE H 1 63 PHE HB2 3.179 . 4.442 4.033 3.954 4.138 . 0 0 "[ . 1]" 1
1463 1 43 ASP HB2 1 44 GLY H 3.811 2.001 5.621 4.373 4.070 4.740 . 0 0 "[ . 1]" 1
1464 1 43 ASP HA 1 44 GLY H 2.257 . 2.894 2.195 2.075 2.365 . 0 0 "[ . 1]" 1
1465 1 44 GLY H 1 44 GLY QA 2.422 . 3.072 2.180 2.049 2.260 . 0 0 "[ . 1]" 1
1466 1 43 ASP HB3 1 44 GLY H 3.465 2.050 4.880 4.134 3.696 4.499 . 0 0 "[ . 1]" 1
1467 1 91 VAL HA 1 100 THR H 3.658 2.089 5.227 4.604 4.331 4.817 . 0 0 "[ . 1]" 1
1468 1 100 THR H 1 100 THR HB 3.298 . 4.657 3.377 2.452 3.755 . 0 0 "[ . 1]" 1
1469 1 42 GLN QE 1 44 GLY H 4.591 . 7.226 6.708 3.889 8.930 1.704 6 5 "[ **+*- 1]" 1
1470 1 32 ARG HG3 1 33 ASN HD22 2.920 . 3.986 3.462 3.085 3.920 . 0 0 "[ . 1]" 1
1471 1 33 ASN QB 1 33 ASN HD21 2.356 . 3.050 2.224 2.084 2.332 . 0 0 "[ . 1]" 1
1472 1 8 MET HG3 1 10 SER H 3.132 . 4.358 3.591 2.225 4.636 0.278 3 0 "[ . 1]" 1
1473 1 10 SER H 1 10 SER HB2 3.027 . 4.172 3.295 2.880 3.715 . 0 0 "[ . 1]" 1
1474 1 9 GLU HA 1 10 SER H 2.824 . 3.821 2.576 2.199 3.245 . 0 0 "[ . 1]" 1
1475 1 10 SER H 1 10 SER HA 2.540 . 3.346 2.816 2.548 2.969 . 0 0 "[ . 1]" 1
1476 1 8 MET HA 1 10 SER H 4.175 . 6.354 4.706 3.744 5.484 . 0 0 "[ . 1]" 1
1477 1 9 GLU QG 1 10 SER H 4.008 . 6.139 4.297 3.156 4.938 . 0 0 "[ . 1]" 1
1478 1 10 SER H 1 123 SER HA 5.277 . 8.564 6.094 4.878 6.834 . 0 0 "[ . 1]" 1
1479 1 64 THR H 1 70 ASN QD 4.095 . 6.216 4.230 2.244 5.648 . 0 0 "[ . 1]" 1
1480 1 96 ASN HB2 1 96 ASN HD22 3.421 . 4.884 3.610 3.507 3.802 . 0 0 "[ . 1]" 1
1481 1 13 ASN HD22 1 118 THR H 3.979 . 5.964 4.467 3.691 5.631 . 0 0 "[ . 1]" 1
1482 1 13 ASN HD21 1 119 TYR HA 4.138 . 6.438 3.978 3.344 6.126 . 0 0 "[ . 1]" 1
1483 1 13 ASN HD21 1 118 THR H 3.911 2.001 5.821 4.173 3.016 6.007 0.186 6 0 "[ . 1]" 1
1484 1 13 ASN HD22 1 16 GLU QG 4.101 . 6.302 4.392 2.789 5.556 . 0 0 "[ . 1]" 1
1485 1 13 ASN HD22 1 117 VAL HA 3.965 . 5.930 4.992 4.539 6.079 0.149 6 0 "[ . 1]" 1
1486 1 13 ASN HD21 1 16 GLU QB 3.838 . 5.712 4.174 2.128 5.052 . 0 0 "[ . 1]" 1
1487 1 13 ASN HD21 1 16 GLU QG 4.993 . 7.986 5.545 3.061 6.837 . 0 0 "[ . 1]" 1
1488 1 13 ASN HA 1 13 ASN HD21 4.576 . 7.194 4.217 2.758 4.483 . 0 0 "[ . 1]" 1
1489 1 13 ASN HD21 1 117 VAL HA 4.147 . 6.297 5.357 4.686 6.803 0.506 6 1 "[ .+ 1]" 1
1490 1 73 THR H 1 76 GLY HA3 3.781 . 5.666 4.867 4.327 5.253 . 0 0 "[ . 1]" 1
1491 1 73 THR H 1 77 LYS HB2 3.876 . 5.759 4.797 3.997 5.046 . 0 0 "[ . 1]" 1
1492 1 72 GLN HA 1 73 THR H 2.143 . 2.717 2.335 2.207 2.515 . 0 0 "[ . 1]" 1
1493 1 73 THR H 1 79 PHE H 3.943 2.061 5.825 4.950 4.415 5.287 . 0 0 "[ . 1]" 1
1494 1 66 GLY H 1 84 GLN HA 3.067 . 4.243 3.652 3.359 4.001 . 0 0 "[ . 1]" 1
1495 1 66 GLY H 1 83 VAL HB 2.817 . 3.809 2.932 2.367 3.288 . 0 0 "[ . 1]" 1
1496 1 65 VAL HB 1 66 GLY H 3.390 . 4.882 4.184 4.111 4.253 . 0 0 "[ . 1]" 1
1497 1 66 GLY H 1 66 GLY HA2 2.359 . 3.055 2.292 2.218 2.320 . 0 0 "[ . 1]" 1
1498 1 66 GLY H 1 66 GLY HA3 2.452 . 3.204 2.909 2.854 2.951 . 0 0 "[ . 1]" 1
1499 1 65 VAL H 1 66 GLY H 3.611 2.022 5.200 4.704 4.573 4.785 . 0 0 "[ . 1]" 1
1500 1 66 GLY H 1 82 THR HA 3.924 2.125 5.723 4.841 4.506 5.139 . 0 0 "[ . 1]" 1
1501 1 73 THR H 1 76 GLY HA2 2.935 . 4.070 3.475 2.919 3.983 . 0 0 "[ . 1]" 1
1502 1 84 GLN H 1 84 GLN QE 3.660 . 4.370 4.119 1.909 5.291 0.921 6 4 "[ - .+ **1]" 1
1503 1 84 GLN QB 1 84 GLN QE 3.866 . 5.734 2.659 2.038 3.640 . 0 0 "[ . 1]" 1
1504 1 88 GLY H 1 89 LYS QG 4.076 2.066 6.086 4.157 3.398 4.864 . 0 0 "[ . 1]" 1
1505 1 85 MET QB 1 88 GLY H 4.346 2.109 6.583 4.083 2.880 6.384 . 0 0 "[ . 1]" 1
1506 1 88 GLY H 1 89 LYS HA 3.839 2.084 5.594 4.903 4.195 5.383 . 0 0 "[ . 1]" 1
1507 1 2 PHE QD 1 3 THR H 3.980 2.070 5.890 4.678 4.138 4.936 . 0 0 "[ . 1]" 1
1508 1 86 GLU H 1 88 GLY H 3.641 2.128 5.154 3.911 3.057 4.748 . 0 0 "[ . 1]" 1
1509 1 88 GLY H 1 88 GLY HA2 2.074 . 2.611 2.546 2.220 2.970 0.359 9 0 "[ . 1]" 1
1510 1 3 THR H 1 41 GLN HA 3.857 2.011 5.703 4.502 4.076 4.961 . 0 0 "[ . 1]" 1
1511 1 87 GLY HA2 1 88 GLY H 3.157 . 4.403 3.153 2.556 3.634 . 0 0 "[ . 1]" 1
1512 1 86 GLU HA 1 88 GLY H 3.769 2.034 5.504 4.201 3.221 5.043 . 0 0 "[ . 1]" 1
1513 1 2 PHE HB3 1 3 THR H 3.220 . 4.516 4.275 4.107 4.539 0.023 8 0 "[ . 1]" 1
1514 1 114 ILE HA 1 116 GLY H 3.237 . 4.547 3.879 3.702 4.117 . 0 0 "[ . 1]" 1
1515 1 116 GLY H 1 117 VAL HB 3.969 . 5.938 5.354 4.948 5.797 . 0 0 "[ . 1]" 1
1516 1 116 GLY H 1 117 VAL H 2.579 . 3.328 2.712 2.277 3.070 . 0 0 "[ . 1]" 1
1517 1 54 SER HA 1 55 GLY H 2.955 2.039 3.871 3.064 2.051 3.610 . 0 0 "[ . 1]" 1
1518 1 55 GLY H 1 55 GLY HA3 2.211 . 2.822 2.560 2.211 2.994 0.172 4 0 "[ . 1]" 1
1519 1 72 GLN QG 1 76 GLY H 5.128 . 8.415 5.644 4.056 6.563 . 0 0 "[ . 1]" 1
1520 1 73 THR HB 1 76 GLY H 3.395 . 5.033 3.798 3.457 4.114 . 0 0 "[ . 1]" 1
1521 1 76 GLY H 1 77 LYS HB2 3.859 2.137 5.581 4.930 4.112 5.224 . 0 0 "[ . 1]" 1
1522 1 72 GLN QB 1 76 GLY H 4.398 2.198 6.598 4.248 3.684 4.725 . 0 0 "[ . 1]" 1
1523 1 76 GLY H 1 76 GLY HA2 2.161 . 2.745 2.288 2.068 2.530 . 0 0 "[ . 1]" 1
1524 1 61 ASN QD 1 76 GLY H 3.843 . 5.753 4.192 3.235 5.307 . 0 0 "[ . 1]" 1
1525 1 73 THR H 1 76 GLY H 3.278 . 4.621 3.537 2.992 3.927 . 0 0 "[ . 1]" 1
1526 1 56 GLY H 1 57 HIS HA 3.997 2.188 5.806 5.235 4.782 5.466 . 0 0 "[ . 1]" 1
1527 1 56 GLY H 1 57 HIS HB3 3.814 . 5.771 5.097 4.457 5.763 . 0 0 "[ . 1]" 1
1528 1 55 GLY HA2 1 56 GLY H 2.965 2.043 3.887 3.314 3.068 3.548 . 0 0 "[ . 1]" 1
1529 1 56 GLY H 1 56 GLY QA 2.002 . 2.503 2.206 2.072 2.314 . 0 0 "[ . 1]" 1
1530 1 54 SER HA 1 56 GLY H 3.513 2.078 4.948 3.738 3.015 4.670 . 0 0 "[ . 1]" 1
1531 1 99 GLN HE21 1 99 GLN QG 2.963 . 4.061 2.425 2.213 2.930 . 0 0 "[ . 1]" 1
1532 1 99 GLN HE21 1 110 GLU QG 3.809 . 5.795 3.485 2.305 4.779 . 0 0 "[ . 1]" 1
1533 1 99 GLN HE22 1 100 THR HA 5.175 . 8.435 5.037 3.122 6.616 . 0 0 "[ . 1]" 1
1534 1 74 MET H 1 75 GLY H 2.863 . 3.887 2.719 2.531 2.916 . 0 0 "[ . 1]" 1
1535 1 50 SER HA 1 51 GLN QE 5.092 . 8.287 5.019 4.222 6.459 . 0 0 "[ . 1]" 1
1536 1 73 THR HB 1 75 GLY H 3.064 . 4.237 2.865 2.285 3.273 . 0 0 "[ . 1]" 1
1537 1 22 GLY H 1 22 GLY HA2 2.166 . 2.752 2.488 2.334 2.668 . 0 0 "[ . 1]" 1
1538 1 22 GLY H 1 23 ILE QG 4.102 . 6.284 3.958 3.094 4.858 . 0 0 "[ . 1]" 1
1539 1 21 LEU HA 1 22 GLY H 2.916 . 3.872 3.509 3.317 3.681 . 0 0 "[ . 1]" 1
1540 1 14 TYR H 1 14 TYR QD 3.401 . 4.913 2.132 1.929 2.311 . 0 0 "[ . 1]" 1
1541 1 12 LYS QD 1 119 TYR QD 4.646 . 7.307 4.844 4.077 5.477 . 0 0 "[ . 1]" 1
1542 1 6 PHE QD 1 125 ARG HB3 3.385 . 4.818 2.789 2.049 4.312 . 0 0 "[ . 1]" 1
1543 1 6 PHE QD 1 108 LEU H 4.096 . 6.193 4.467 3.716 5.083 . 0 0 "[ . 1]" 1
1544 1 72 GLN HA 1 79 PHE QD 3.973 2.168 5.778 3.520 2.709 3.953 . 0 0 "[ . 1]" 1
1545 1 93 ASN HA 1 97 TYR QD 5.114 . 8.326 4.696 4.522 5.043 . 0 0 "[ . 1]" 1
1546 1 5 LYS HB3 1 6 PHE QD 5.440 . 8.919 4.466 4.162 4.909 . 0 0 "[ . 1]" 1
1547 1 79 PHE HZ 1 94 PHE QD 4.157 . 6.338 4.342 3.885 5.405 . 0 0 "[ . 1]" 1
1548 1 93 ASN HA 1 94 PHE QD 3.627 . 5.489 2.857 2.344 3.076 . 0 0 "[ . 1]" 1
1549 1 31 ALA H 1 34 PHE QD 5.451 . 8.940 5.193 4.364 5.627 . 0 0 "[ . 1]" 1
1550 1 1 ALA HA 1 2 PHE QD 3.822 . 5.817 2.591 2.242 2.920 . 0 0 "[ . 1]" 1
1551 1 31 ALA HA 1 34 PHE QD 3.728 . 5.658 3.975 2.697 4.679 . 0 0 "[ . 1]" 1
1552 1 34 PHE H 1 34 PHE QD 3.802 . 5.784 2.899 2.548 3.673 . 0 0 "[ . 1]" 1
1553 1 47 PHE H 1 63 PHE QD 3.903 . 5.896 3.925 3.519 4.411 . 0 0 "[ . 1]" 1
1554 1 34 PHE H 1 34 PHE QE 4.085 . 6.275 4.175 3.515 5.389 . 0 0 "[ . 1]" 1
1555 1 17 PHE HZ 1 98 HIS HA 4.527 . 7.156 5.345 4.329 6.707 . 0 0 "[ . 1]" 1
1556 1 79 PHE QE 1 94 PHE HZ 4.307 . 6.657 3.503 2.725 5.184 . 0 0 "[ . 1]" 1
1557 1 52 HIS HB2 1 53 TYR QE 4.099 . 6.199 3.955 3.918 3.977 . 0 0 "[ . 1]" 1
1558 1 53 TYR H 1 53 TYR QE 3.775 2.093 5.457 4.300 3.710 4.590 . 0 0 "[ . 1]" 1
1559 1 21 LEU QB 1 97 TYR QE 3.842 . 5.787 4.073 2.170 4.827 . 0 0 "[ . 1]" 1
1560 1 11 GLU QG 1 119 TYR QE 3.856 . 5.849 4.131 3.792 4.264 . 0 0 "[ . 1]" 1
1561 1 64 THR HB 1 67 LYS HB2 2.819 . 3.812 2.308 2.114 2.478 . 0 0 "[ . 1]" 1
1562 1 89 LYS QD 1 100 THR HB 3.800 2.075 5.525 3.553 2.232 4.430 . 0 0 "[ . 1]" 1
1563 1 100 THR H 1 100 THR HB 3.781 . 5.568 3.185 2.369 3.658 . 0 0 "[ . 1]" 1
1564 1 99 GLN HA 1 113 THR HB 3.816 . 5.653 4.178 3.669 4.588 . 0 0 "[ . 1]" 1
1565 1 48 THR HB 1 49 TRP QB 4.424 . 6.890 4.479 3.651 5.346 . 0 0 "[ . 1]" 1
1566 1 99 GLN HE22 1 101 SER QB 4.019 2.026 6.012 3.078 1.753 3.904 0.273 8 0 "[ . 1]" 1
1567 1 17 PHE QD 1 112 SER HB2 4.507 . 7.044 4.676 3.775 5.694 . 0 0 "[ . 1]" 1
1568 1 100 THR H 1 112 SER HB3 4.178 . 6.440 4.680 3.193 5.169 . 0 0 "[ . 1]" 1
1569 1 9 GLU QG 1 10 SER HB2 4.328 . 6.713 3.495 2.501 4.529 . 0 0 "[ . 1]" 1
1570 1 8 MET HG2 1 10 SER QB 4.212 2.023 6.401 3.331 2.191 4.333 . 0 0 "[ . 1]" 1
1571 1 18 MET HA 1 28 ILE HA 4.203 . 6.411 5.202 4.758 5.631 . 0 0 "[ . 1]" 1
1572 1 100 THR H 1 101 SER QB 4.131 . 6.301 4.176 2.862 4.947 . 0 0 "[ . 1]" 1
1573 1 27 VAL HA 1 28 ILE H 2.596 . 3.438 2.716 2.632 2.784 . 0 0 "[ . 1]" 1
1574 1 27 VAL HA 1 29 GLU H 2.970 . 4.073 3.440 3.318 3.628 . 0 0 "[ . 1]" 1
1575 1 17 PHE QD 1 112 SER HB3 4.535 2.097 6.973 4.405 4.059 5.388 . 0 0 "[ . 1]" 1
1576 1 26 ASP HA 1 27 VAL HA 3.760 . 5.527 4.144 4.030 4.249 . 0 0 "[ . 1]" 1
1577 1 99 GLN HE22 1 101 SER QB 3.936 . 5.888 2.718 1.752 3.576 0.232 8 0 "[ . 1]" 1
1578 1 10 SER HB3 1 12 LYS HB2 5.334 . 8.723 4.646 3.886 5.128 . 0 0 "[ . 1]" 1
1579 1 34 PHE H 1 54 SER HB3 4.817 . 7.638 5.327 4.537 6.117 . 0 0 "[ . 1]" 1
1580 1 34 PHE H 1 54 SER HB2 4.544 . 7.126 5.075 3.604 6.929 . 0 0 "[ . 1]" 1
1581 1 34 PHE HA 1 54 SER HB2 4.438 . 6.916 4.948 3.790 6.490 . 0 0 "[ . 1]" 1
1582 1 25 SER HA 1 25 SER QB 2.233 . 2.856 2.386 2.239 2.473 . 0 0 "[ . 1]" 1
1583 1 24 SER QB 1 25 SER HA 4.093 2.097 6.089 3.479 3.240 3.652 . 0 0 "[ . 1]" 1
1584 1 24 SER HA 1 25 SER HA 3.512 . 5.067 4.261 4.067 4.416 . 0 0 "[ . 1]" 1
1585 1 25 SER HA 1 29 GLU HB3 4.093 2.077 6.109 3.683 2.874 4.869 . 0 0 "[ . 1]" 1
1586 1 25 SER HA 1 27 VAL HA 4.234 2.073 6.395 5.015 4.644 5.551 . 0 0 "[ . 1]" 1
1587 1 25 SER HA 1 26 ASP HA 3.527 . 5.172 3.545 3.218 3.922 . 0 0 "[ . 1]" 1
1588 1 13 ASN HD21 1 14 TYR HA 3.435 2.131 4.739 3.602 3.404 4.032 . 0 0 "[ . 1]" 1
1589 1 25 SER HA 1 27 VAL H 3.903 . 5.806 4.674 4.320 4.940 . 0 0 "[ . 1]" 1
1590 1 38 THR HA 1 51 GLN HB2 4.036 2.073 5.999 4.336 3.887 4.864 . 0 0 "[ . 1]" 1
1591 1 38 THR HA 1 39 GLU HB2 4.079 . 6.159 4.390 4.047 4.872 . 0 0 "[ . 1]" 1
1592 1 38 THR HA 1 39 GLU HB3 3.788 . 5.582 5.438 4.174 5.739 0.157 9 0 "[ . 1]" 1
1593 1 109 VAL HA 1 121 ARG H 3.364 2.109 4.619 3.613 3.256 4.028 . 0 0 "[ . 1]" 1
1594 1 25 SER HA 1 26 ASP HB3 4.065 . 6.133 4.974 4.617 5.274 . 0 0 "[ . 1]" 1
1595 1 24 SER H 1 25 SER HA 3.925 . 5.851 4.609 4.292 4.896 . 0 0 "[ . 1]" 1
1596 1 17 PHE QD 1 113 THR HA 3.668 2.150 5.186 4.117 3.425 4.378 . 0 0 "[ . 1]" 1
1597 1 78 THR HA 1 79 PHE QE 4.108 . 6.217 5.281 4.730 5.607 . 0 0 "[ . 1]" 1
1598 1 73 THR HA 1 74 MET QB 3.788 . 5.582 4.558 4.209 4.922 . 0 0 "[ . 1]" 1
1599 1 34 PHE HA 1 54 SER HA 4.368 2.086 6.650 5.100 4.410 5.759 . 0 0 "[ . 1]" 1
1600 1 37 VAL HA 1 38 THR HB 3.699 2.098 5.300 4.330 3.936 4.814 . 0 0 "[ . 1]" 1
1601 1 61 ASN QD 1 73 THR HA 3.273 . 4.612 3.577 2.991 3.860 . 0 0 "[ . 1]" 1
1602 1 16 GLU HA 1 19 LYS HG3 3.537 . 5.108 2.989 2.326 3.329 . 0 0 "[ . 1]" 1
1603 1 16 GLU HA 1 20 LEU H 2.902 . 3.923 3.318 3.189 3.437 . 0 0 "[ . 1]" 1
1604 1 61 ASN QD 1 74 MET HA 3.408 . 4.893 3.278 2.884 3.620 . 0 0 "[ . 1]" 1
1605 1 34 PHE H 1 34 PHE HA 3.259 . 4.586 2.749 2.701 2.811 . 0 0 "[ . 1]" 1
1606 1 15 ASP HA 1 18 MET HB2 3.775 . 5.556 3.528 3.063 3.929 . 0 0 "[ . 1]" 1
1607 1 16 GLU HA 1 19 LYS QE 3.971 2.092 5.850 3.114 2.067 4.129 0.025 9 0 "[ . 1]" 1
1608 1 29 GLU HA 1 32 ARG HA 3.486 . 5.055 4.478 4.343 4.547 . 0 0 "[ . 1]" 1
1609 1 19 LYS HA 1 24 SER HA 3.583 2.012 5.154 3.697 3.438 4.141 . 0 0 "[ . 1]" 1
1610 1 101 SER HA 1 109 VAL HB 4.431 2.098 6.764 5.274 4.629 5.868 . 0 0 "[ . 1]" 1
1611 1 68 GLU HA 1 68 GLU QG 2.299 . 2.949 2.440 2.266 2.675 . 0 0 "[ . 1]" 1
1612 1 67 LYS HB3 1 68 GLU HA 4.178 . 6.440 4.490 3.942 4.768 . 0 0 "[ . 1]" 1
1613 1 6 PHE HB2 1 123 SER HA 3.910 . 5.898 4.053 2.748 4.877 . 0 0 "[ . 1]" 1
1614 1 20 LEU HA 1 20 LEU QB 2.496 . 3.275 2.299 2.172 2.426 . 0 0 "[ . 1]" 1
1615 1 18 MET HA 1 18 MET HB2 2.012 . 2.518 2.463 2.127 2.917 0.399 10 0 "[ . 1]" 1
1616 1 18 MET HA 1 23 ILE H 3.348 . 4.786 4.139 3.776 4.406 . 0 0 "[ . 1]" 1
1617 1 13 ASN HD21 1 18 MET HA 3.983 . 5.966 5.271 5.177 5.387 . 0 0 "[ . 1]" 1
1618 1 63 PHE HA 1 63 PHE HB3 2.253 . 2.888 2.196 2.151 2.270 . 0 0 "[ . 1]" 1
1619 1 6 PHE HA 1 125 ARG HB2 2.963 . 4.060 2.963 2.502 3.120 . 0 0 "[ . 1]" 1
1620 1 6 PHE HA 1 124 LYS QG 3.779 2.114 5.444 4.046 3.746 4.503 . 0 0 "[ . 1]" 1
1621 1 5 LYS HG2 1 6 PHE HA 4.194 2.019 6.369 4.952 4.223 5.518 . 0 0 "[ . 1]" 1
1622 1 102 GLU HA 1 102 GLU QG 2.196 . 2.799 2.812 2.693 2.917 0.118 9 0 "[ . 1]" 1
1623 1 5 LYS HA 1 39 GLU QG 2.409 . 3.134 2.307 2.215 2.470 . 0 0 "[ . 1]" 1
1624 1 18 MET HA 1 21 LEU HA 3.611 . 5.344 4.378 4.292 4.436 . 0 0 "[ . 1]" 1
1625 1 59 MET HA 1 60 THR HB 3.601 . 5.233 4.391 3.995 4.706 . 0 0 "[ . 1]" 1
1626 1 49 TRP QB 1 62 LYS HA 3.954 . 5.944 4.324 3.837 4.864 . 0 0 "[ . 1]" 1
1627 1 72 GLN HA 1 77 LYS HA 3.490 2.018 4.962 4.188 4.026 4.377 . 0 0 "[ . 1]" 1
1628 1 5 LYS HA 1 6 PHE HA 3.523 2.025 5.021 3.716 3.672 3.747 . 0 0 "[ . 1]" 1
1629 1 84 GLN QB 1 85 MET HA 3.696 . 5.394 3.818 3.313 4.143 . 0 0 "[ . 1]" 1
1630 1 124 LYS HA 1 124 LYS QG 2.706 . 3.621 3.309 3.128 3.404 . 0 0 "[ . 1]" 1
1631 1 13 ASN H 1 13 ASN HA 1.743 . 2.123 2.015 1.932 2.116 . 0 0 "[ . 1]" 1
1632 1 86 GLU H 1 86 GLU HA 2.208 . 2.817 2.675 2.617 2.750 . 0 0 "[ . 1]" 1
1633 1 93 ASN HA 1 93 ASN QD 3.273 . 4.612 2.800 2.328 2.970 . 0 0 "[ . 1]" 1
1634 1 84 GLN HA 1 85 MET H 1.943 . 2.568 2.001 1.912 2.110 . 0 0 "[ . 1]" 1
1635 1 92 VAL HA 1 93 ASN HA 3.556 2.064 5.048 3.969 3.892 4.021 . 0 0 "[ . 1]" 1
1636 1 31 ALA HA 1 32 ARG H 3.250 2.100 4.400 3.485 3.228 3.568 . 0 0 "[ . 1]" 1
1637 1 43 ASP HB3 1 44 GLY QA 3.954 2.091 5.877 4.126 3.453 4.573 . 0 0 "[ . 1]" 1
1638 1 87 GLY H 1 87 GLY HA3 2.277 . 2.920 2.533 2.472 2.585 . 0 0 "[ . 1]" 1
1639 1 45 GLN QG 1 66 GLY HA2 3.922 . 5.848 5.045 4.515 5.615 . 0 0 "[ . 1]" 1
1640 1 72 GLN QG 1 76 GLY HA3 4.308 . 6.628 4.600 3.619 5.613 . 0 0 "[ . 1]" 1
1641 1 74 MET H 1 75 GLY HA2 3.867 . 5.743 4.831 4.694 5.015 . 0 0 "[ . 1]" 1
1642 1 47 PHE HB3 1 49 TRP HZ3 4.174 . 6.433 3.834 3.271 4.190 . 0 0 "[ . 1]" 1
1643 1 93 ASN HB2 1 94 PHE H 3.574 . 5.202 3.493 2.852 3.846 . 0 0 "[ . 1]" 1
1644 1 6 PHE HB2 1 38 THR HB 3.425 2.115 4.735 2.737 2.047 4.221 0.068 9 0 "[ . 1]" 1
1645 1 96 ASN H 1 97 TYR HB2 3.629 . 5.275 3.970 3.025 4.381 . 0 0 "[ . 1]" 1
1646 1 20 LEU QB 1 114 ILE HB 3.071 . 4.250 2.324 2.150 2.423 . 0 0 "[ . 1]" 1
1647 1 17 PHE QD 1 119 TYR HB3 4.346 . 6.706 3.315 2.801 3.918 . 0 0 "[ . 1]" 1
1648 1 17 PHE QD 1 114 ILE HB 3.565 2.066 5.064 3.416 1.991 4.019 0.075 3 0 "[ . 1]" 1
1649 1 114 ILE HB 1 115 GLY H 3.364 . 4.778 3.800 3.488 4.286 . 0 0 "[ . 1]" 1
1650 1 2 PHE HB3 1 2 PHE HD1 2.609 . 3.460 3.191 2.474 3.841 0.381 8 0 "[ . 1]" 1
1651 1 13 ASN HD21 1 17 PHE HB3 2.471 . 3.234 2.529 2.259 2.820 . 0 0 "[ . 1]" 1
1652 1 12 LYS QE 1 120 GLU H 5.435 . 8.910 5.241 4.581 5.811 . 0 0 "[ . 1]" 1
1653 1 46 ASP HB2 1 47 PHE H 3.843 2.132 5.554 3.981 3.778 4.187 . 0 0 "[ . 1]" 1
1654 1 69 SER H 1 80 LYS QE 4.178 . 6.440 4.280 3.193 4.826 . 0 0 "[ . 1]" 1
1655 1 19 LYS QE 1 19 LYS HG3 2.294 . 2.952 2.099 1.915 2.376 . 0 0 "[ . 1]" 1
1656 1 34 PHE H 1 34 PHE QB 2.354 . 3.046 2.600 1.708 3.068 0.022 2 0 "[ . 1]" 1
1657 1 14 TYR HB2 1 14 TYR QD 2.512 . 3.269 1.995 1.920 2.046 . 0 0 "[ . 1]" 1
1658 1 25 SER HA 1 26 ASP HB2 4.184 . 6.372 4.337 4.020 4.798 . 0 0 "[ . 1]" 1
1659 1 32 ARG H 1 33 ASN QB 3.890 2.079 5.701 3.164 2.300 4.483 . 0 0 "[ . 1]" 1
1660 1 68 GLU QG 1 80 LYS QB 3.516 . 5.186 2.464 2.132 2.970 . 0 0 "[ . 1]" 1
1661 1 68 GLU QG 1 81 ALA H 3.430 . 4.954 2.880 2.387 4.023 . 0 0 "[ . 1]" 1
1662 1 13 ASN QB 1 119 TYR QD 4.095 2.068 6.122 3.272 2.516 3.963 . 0 0 "[ . 1]" 1
1663 1 39 GLU H 1 39 GLU QG 2.685 . 3.586 2.922 2.476 3.259 . 0 0 "[ . 1]" 1
1664 1 85 MET HA 1 86 GLU QG 2.561 . 3.381 3.784 3.385 4.429 1.048 2 3 "[ + - *1]" 1
1665 1 5 LYS HB2 1 5 LYS HG3 1.981 . 2.471 2.101 2.014 2.148 . 0 0 "[ . 1]" 1
1666 1 84 GLN QB 1 91 VAL HB 5.435 . 8.910 4.423 3.575 5.995 . 0 0 "[ . 1]" 1
1667 1 62 LYS HB2 1 62 LYS QD 2.030 . 2.545 2.143 2.085 2.211 . 0 0 "[ . 1]" 1
1668 1 26 ASP HA 1 29 GLU QG 3.170 . 4.426 2.836 2.443 3.321 . 0 0 "[ . 1]" 1
1669 1 25 SER HA 1 29 GLU QG 4.086 . 6.205 3.500 2.265 5.154 . 0 0 "[ . 1]" 1
1670 1 67 LYS HB2 1 67 LYS QD 1.816 . 2.228 2.161 1.952 2.431 0.203 5 0 "[ . 1]" 1
1671 1 29 GLU H 1 29 GLU QG 2.436 . 3.177 2.120 1.980 2.276 . 0 0 "[ . 1]" 1
1672 1 103 ILE HB 1 104 VAL H 3.658 2.075 5.241 4.067 3.723 4.252 . 0 0 "[ . 1]" 1
1673 1 5 LYS HB3 1 6 PHE H 3.873 2.141 5.605 3.468 3.132 3.787 . 0 0 "[ . 1]" 1
1674 1 72 GLN HA 1 72 GLN QG 2.824 . 3.821 2.412 2.006 3.351 . 0 0 "[ . 1]" 1
1675 1 45 GLN HE22 1 45 GLN QG 3.268 . 4.603 2.258 2.093 2.449 . 0 0 "[ . 1]" 1
1676 1 11 GLU H 1 11 GLU QG 3.030 . 4.178 3.235 2.552 4.340 0.162 2 0 "[ . 1]" 1
1677 1 39 GLU H 1 39 GLU HB3 2.726 . 3.655 2.988 2.378 3.390 . 0 0 "[ . 1]" 1
1678 1 3 THR H 1 41 GLN HG3 4.104 . 6.252 4.768 4.426 5.451 . 0 0 "[ . 1]" 1
1679 1 8 MET HG2 1 9 GLU H 2.929 . 4.001 2.647 2.026 3.501 . 0 0 "[ . 1]" 1
1680 1 11 GLU HA 1 11 GLU QG 2.793 . 3.768 2.226 2.091 2.445 . 0 0 "[ . 1]" 1
1681 1 85 MET HA 1 89 LYS QB 3.946 . 5.917 3.764 3.027 4.205 . 0 0 "[ . 1]" 1
1682 1 9 GLU HB2 1 10 SER HB3 4.310 . 6.620 5.437 4.672 5.796 . 0 0 "[ . 1]" 1
1683 1 49 TRP QB 1 49 TRP HZ3 4.145 . 6.124 4.038 3.279 4.578 . 0 0 "[ . 1]" 1
1684 1 49 TRP QB 1 51 GLN QE 4.171 . 6.363 3.242 2.099 4.378 . 0 0 "[ . 1]" 1
1685 1 84 GLN QG 1 85 MET H 3.166 . 4.419 3.007 2.619 3.596 . 0 0 "[ . 1]" 1
1686 1 74 MET QB 1 75 GLY H 3.583 2.044 5.122 2.841 2.352 3.428 . 0 0 "[ . 1]" 1
1687 1 63 PHE QD 1 83 VAL HB 3.740 . 5.488 3.463 3.141 3.679 . 0 0 "[ . 1]" 1
1688 1 19 LYS QB 1 19 LYS HG2 1.849 . 2.276 2.299 2.061 2.464 0.188 4 0 "[ . 1]" 1
1689 1 1 ALA HA 1 42 GLN QG 3.463 . 4.962 2.451 2.356 2.560 . 0 0 "[ . 1]" 1
1690 1 45 GLN QG 1 46 ASP H 4.105 . 6.230 4.463 4.226 4.598 . 0 0 "[ . 1]" 1
1691 1 61 ASN QD 1 72 GLN QG 3.856 . 5.715 3.961 3.060 5.136 . 0 0 "[ . 1]" 1
1692 1 86 GLU H 1 86 GLU HB2 1.989 . 2.484 2.408 2.196 3.444 0.960 1 1 "[+ . 1]" 1
1693 1 18 MET HA 1 28 ILE HG12 3.607 . 5.363 4.034 3.679 4.534 . 0 0 "[ . 1]" 1
1694 1 23 ILE H 1 28 ILE HG12 3.607 . 5.247 4.433 3.976 4.924 . 0 0 "[ . 1]" 1
1695 1 31 ALA H 1 36 ILE QG 3.890 2.018 5.762 3.774 3.409 4.088 . 0 0 "[ . 1]" 1
1696 1 12 LYS QD 1 12 LYS QE 1.841 . 2.265 1.712 1.672 1.771 . 0 0 "[ . 1]" 1
1697 1 12 LYS QD 1 14 TYR H 4.252 2.098 6.406 4.050 3.556 4.779 . 0 0 "[ . 1]" 1
1698 1 5 LYS HD2 1 7 GLU H 4.093 . 6.289 4.286 3.789 5.075 . 0 0 "[ . 1]" 1
1699 1 12 LYS QD 1 120 GLU H 4.245 . 6.561 4.147 3.304 4.985 . 0 0 "[ . 1]" 1
1700 1 14 TYR QD 1 19 LYS QD 4.172 2.072 6.272 4.972 4.609 5.305 . 0 0 "[ . 1]" 1
1701 1 30 LYS HA 1 30 LYS QD 2.671 . 3.563 2.519 2.025 4.101 0.538 7 1 "[ . + 1]" 1
1702 1 12 LYS QD 1 13 ASN HD21 3.559 . 5.142 3.376 2.635 4.297 . 0 0 "[ . 1]" 1
1703 1 29 GLU HB2 1 32 ARG QD 4.639 . 7.294 3.937 3.212 4.267 . 0 0 "[ . 1]" 1
1704 1 28 ILE HA 1 29 GLU HB3 4.270 . 6.549 4.249 3.319 5.342 . 0 0 "[ . 1]" 1
1705 1 21 LEU QB 1 23 ILE QG 2.140 . 2.712 2.352 2.152 2.572 . 0 0 "[ . 1]" 1
1706 1 29 GLU HA 1 32 ARG HG3 2.959 . 4.086 3.282 3.140 3.428 . 0 0 "[ . 1]" 1
1707 1 16 GLU HA 1 19 LYS HG3 2.549 . 3.361 3.084 2.341 3.522 0.161 2 0 "[ . 1]" 1
1708 1 19 LYS QE 1 19 LYS HG3 2.061 . 2.592 2.113 1.918 2.385 . 0 0 "[ . 1]" 1
1709 1 30 LYS QE 1 30 LYS QG 2.032 . 2.548 1.985 1.837 2.191 . 0 0 "[ . 1]" 1
1710 1 77 LYS QE 1 77 LYS HG3 1.985 . 2.477 2.218 1.902 2.712 0.235 2 0 "[ . 1]" 1
1711 1 12 LYS QE 1 12 LYS QG 2.049 . 2.574 2.169 1.963 2.342 . 0 0 "[ . 1]" 1
1712 1 35 LYS HA 1 35 LYS QG 3.534 . 5.095 2.500 2.102 3.415 . 0 0 "[ . 1]" 1
1713 1 2 PHE QE 1 89 LYS QG 3.762 . 5.531 4.428 4.043 4.856 . 0 0 "[ . 1]" 1
1714 1 12 LYS QG 1 120 GLU H 3.701 . 5.513 3.230 2.436 4.445 . 0 0 "[ . 1]" 1
1715 1 19 LYS HG3 1 20 LEU H 3.930 . 5.861 4.506 4.361 4.740 . 0 0 "[ . 1]" 1
1716 1 35 LYS QD 1 35 LYS QG 2.003 . 2.504 1.778 1.720 1.869 . 0 0 "[ . 1]" 1
1717 1 119 TYR H 1 119 TYR QD 4.003 . 6.006 3.823 3.689 3.964 . 0 0 "[ . 1]" 1
1718 1 114 ILE H 1 119 TYR H 3.421 2.003 4.839 4.246 4.136 4.345 . 0 0 "[ . 1]" 1
1719 1 12 LYS QE 1 119 TYR H 4.732 . 7.531 6.036 5.607 6.765 . 0 0 "[ . 1]" 1
1720 1 49 TRP H 1 51 GLN QE 3.983 2.036 5.930 4.401 3.746 5.087 . 0 0 "[ . 1]" 1
1721 1 37 VAL H 1 51 GLN HB2 4.915 . 7.831 5.010 4.390 5.481 . 0 0 "[ . 1]" 1
1722 1 65 VAL HA 1 83 VAL H 3.318 . 4.694 3.854 3.722 4.047 . 0 0 "[ . 1]" 1
1723 1 81 ALA HA 1 83 VAL H 4.658 . 7.331 5.688 5.469 5.971 . 0 0 "[ . 1]" 1
1724 1 66 GLY HA2 1 83 VAL H 3.997 . 5.994 3.877 3.579 4.215 . 0 0 "[ . 1]" 1
1725 1 110 GLU H 1 110 GLU QG 3.366 . 4.782 3.914 3.773 4.041 . 0 0 "[ . 1]" 1
1726 1 109 VAL H 1 110 GLU H 3.366 . 4.865 4.157 3.961 4.320 . 0 0 "[ . 1]" 1
1727 1 33 ASN QB 1 35 LYS H 3.630 . 5.300 3.848 3.164 4.476 . 0 0 "[ . 1]" 1
1728 1 43 ASP H 1 43 ASP HB2 2.486 . 3.259 3.017 2.569 3.391 0.132 5 0 "[ . 1]" 1
1729 1 3 THR HA 1 42 GLN H 3.746 2.103 5.389 3.617 3.224 4.192 . 0 0 "[ . 1]" 1
1730 1 40 VAL HA 1 42 GLN H 4.293 . 6.597 5.780 5.495 6.049 . 0 0 "[ . 1]" 1
1731 1 40 VAL HB 1 42 GLN H 4.299 . 6.610 3.580 2.840 4.315 . 0 0 "[ . 1]" 1
1732 1 5 LYS QE 1 39 GLU H 4.551 . 7.103 5.489 4.973 5.758 . 0 0 "[ . 1]" 1
1733 1 120 GLU QG 1 122 VAL H 4.025 . 6.091 4.166 2.795 4.894 . 0 0 "[ . 1]" 1
1734 1 6 PHE HB2 1 8 MET H 3.118 . 4.333 4.347 4.102 4.695 0.362 3 0 "[ . 1]" 1
1735 1 41 GLN H 1 50 SER H 3.578 2.043 5.113 4.016 3.917 4.130 . 0 0 "[ . 1]" 1
1736 1 49 TRP QB 1 50 SER H 3.400 . 4.845 3.690 2.717 4.093 . 0 0 "[ . 1]" 1
1737 1 113 THR HB 1 114 ILE H 3.239 . 4.570 3.964 3.736 4.154 . 0 0 "[ . 1]" 1
1738 1 46 ASP H 1 65 VAL H 3.328 . 4.751 4.109 3.819 4.245 . 0 0 "[ . 1]" 1
1739 1 5 LYS HB3 1 40 VAL H 4.274 . 6.558 5.271 4.813 5.802 . 0 0 "[ . 1]" 1
1740 1 86 GLU H 1 86 GLU HB3 2.982 . 4.094 3.079 2.584 3.526 . 0 0 "[ . 1]" 1
1741 1 85 MET H 1 86 GLU H 3.615 . 5.248 3.904 3.388 4.141 . 0 0 "[ . 1]" 1
1742 1 7 GLU HA 1 38 THR H 2.417 . 3.147 2.804 2.710 2.879 . 0 0 "[ . 1]" 1
1743 1 5 LYS QE 1 38 THR H 2.952 . 4.069 3.250 2.954 3.599 . 0 0 "[ . 1]" 1
1744 1 9 GLU H 1 122 VAL H 3.973 2.068 5.878 4.124 3.789 4.451 . 0 0 "[ . 1]" 1
1745 1 67 LYS HB2 1 68 GLU H 3.375 . 4.770 3.577 2.976 3.992 . 0 0 "[ . 1]" 1
1746 1 71 ILE H 1 72 GLN HA 3.873 . 5.748 4.263 3.833 4.590 . 0 0 "[ . 1]" 1
1747 1 68 GLU H 1 68 GLU QG 3.241 . 4.554 4.054 3.883 4.215 . 0 0 "[ . 1]" 1
1748 1 70 ASN HA 1 71 ILE H 2.884 . 3.923 3.040 2.886 3.296 . 0 0 "[ . 1]" 1
1749 1 91 VAL HB 1 99 GLN H 2.938 . 4.017 3.518 2.948 4.094 0.077 6 0 "[ . 1]" 1
1750 1 70 ASN HB3 1 71 ILE H 3.560 2.049 5.071 3.900 3.581 4.238 . 0 0 "[ . 1]" 1
1751 1 112 SER H 1 119 TYR QD 3.749 2.009 5.489 3.670 3.069 4.640 . 0 0 "[ . 1]" 1
1752 1 100 THR H 1 112 SER H 3.866 . 5.734 3.953 3.584 4.134 . 0 0 "[ . 1]" 1
1753 1 89 LYS QD 1 111 VAL H 4.818 . 7.636 4.568 3.379 5.598 . 0 0 "[ . 1]" 1
1754 1 110 GLU QG 1 111 VAL H 3.082 . 4.269 2.501 2.218 2.797 . 0 0 "[ . 1]" 1
1755 1 102 GLU H 1 111 VAL H 3.581 . 5.184 3.949 3.623 4.136 . 0 0 "[ . 1]" 1
1756 1 43 ASP HB3 1 45 GLN H 3.702 . 5.415 3.603 2.685 4.062 . 0 0 "[ . 1]" 1
1757 1 107 LYS QD 1 125 ARG H 4.250 . 6.570 3.602 2.222 4.061 . 0 0 "[ . 1]" 1
1758 1 84 GLN H 1 85 MET HA 4.650 . 7.352 4.950 4.776 5.168 . 0 0 "[ . 1]" 1
1759 1 124 LYS QB 1 125 ARG H 2.872 . 3.903 2.803 2.311 3.001 . 0 0 "[ . 1]" 1
1760 1 107 LYS QG 1 125 ARG H 4.549 . 7.123 4.314 3.683 5.102 . 0 0 "[ . 1]" 1
1761 1 120 GLU H 1 120 GLU QG 3.913 . 5.827 3.680 2.791 4.265 . 0 0 "[ . 1]" 1
1762 1 11 GLU HA 1 120 GLU H 5.202 . 8.449 5.873 4.973 6.494 . 0 0 "[ . 1]" 1
1763 1 70 ASN H 1 79 PHE H 3.815 . 5.634 4.627 4.363 4.810 . 0 0 "[ . 1]" 1
1764 1 71 ILE H 1 79 PHE H 3.588 . 5.260 3.605 3.217 4.156 . 0 0 "[ . 1]" 1
1765 1 6 PHE HB2 1 123 SER H 5.855 . 9.713 5.188 4.105 6.439 . 0 0 "[ . 1]" 1
1766 1 122 VAL H 1 123 SER H 3.373 . 4.812 3.932 3.843 4.011 . 0 0 "[ . 1]" 1
1767 1 109 VAL HB 1 123 SER H 5.546 . 9.118 4.902 4.219 5.429 . 0 0 "[ . 1]" 1
1768 1 7 GLU H 1 8 MET HA 3.730 . 5.466 4.778 4.516 5.060 . 0 0 "[ . 1]" 1
1769 1 5 LYS QE 1 7 GLU H 3.615 . 5.470 3.665 3.132 4.042 . 0 0 "[ . 1]" 1
1770 1 85 MET HA 1 90 LEU H 3.783 2.036 5.530 4.099 3.964 4.332 . 0 0 "[ . 1]" 1
1771 1 7 GLU H 1 38 THR HB 4.368 . 6.786 4.721 3.981 5.293 . 0 0 "[ . 1]" 1
1772 1 27 VAL H 1 28 ILE HB 3.933 . 5.867 4.796 4.389 5.164 . 0 0 "[ . 1]" 1
1773 1 89 LYS QE 1 90 LEU H 4.157 2.137 6.177 4.899 4.453 5.272 . 0 0 "[ . 1]" 1
1774 1 68 GLU QG 1 69 SER H 2.326 . 3.002 2.001 1.815 2.237 . 0 0 "[ . 1]" 1
1775 1 80 LYS QB 1 81 ALA H 3.482 . 4.997 3.613 3.445 3.900 . 0 0 "[ . 1]" 1
1776 1 6 PHE QD 1 108 LEU H 4.248 2.061 6.435 4.823 3.883 5.888 . 0 0 "[ . 1]" 1
1777 1 92 VAL H 1 93 ASN HA 3.704 . 5.419 4.319 4.128 4.560 . 0 0 "[ . 1]" 1
1778 1 91 VAL H 1 92 VAL H 3.976 . 5.952 4.233 4.114 4.316 . 0 0 "[ . 1]" 1
1779 1 92 VAL H 1 99 GLN HE22 3.627 . 5.298 4.360 3.900 4.698 . 0 0 "[ . 1]" 1
1780 1 80 LYS HA 1 81 ALA H 2.089 . 2.635 2.002 1.867 2.153 . 0 0 "[ . 1]" 1
1781 1 108 LEU H 1 109 VAL HB 5.371 . 8.791 4.584 3.963 5.032 . 0 0 "[ . 1]" 1
1782 1 92 VAL H 1 92 VAL HB 3.220 . 4.516 3.560 3.359 3.687 . 0 0 "[ . 1]" 1
1783 1 92 VAL H 1 99 GLN QG 3.146 . 4.421 2.513 2.037 2.907 . 0 0 "[ . 1]" 1
1784 1 5 LYS QE 1 6 PHE H 2.378 . 3.085 2.635 2.429 2.796 . 0 0 "[ . 1]" 1
1785 1 80 LYS QB 1 81 ALA H 3.095 . 4.292 3.200 2.883 3.634 . 0 0 "[ . 1]" 1
1786 1 111 VAL HA 1 121 ARG H 3.153 . 4.396 2.840 2.760 2.952 . 0 0 "[ . 1]" 1
1787 1 23 ILE H 1 24 SER H 3.578 . 5.186 4.212 4.029 4.465 . 0 0 "[ . 1]" 1
1788 1 32 ARG H 1 34 PHE H 2.923 . 4.091 3.131 2.680 3.935 . 0 0 "[ . 1]" 1
1789 1 31 ALA HA 1 34 PHE H 2.313 . 2.982 2.868 2.780 2.915 . 0 0 "[ . 1]" 1
1790 1 68 GLU HA 1 70 ASN H 3.738 2.101 5.375 3.601 3.375 3.792 . 0 0 "[ . 1]" 1
1791 1 70 ASN H 1 70 ASN QD 3.855 . 5.713 4.148 2.741 4.901 . 0 0 "[ . 1]" 1
1792 1 104 VAL HB 1 106 ASP H 3.567 . 5.262 4.172 3.758 4.666 . 0 0 "[ . 1]" 1
1793 1 81 ALA HA 1 93 ASN H 4.370 . 6.790 5.185 4.844 5.530 . 0 0 "[ . 1]" 1
1794 1 49 TRP HD1 1 51 GLN H 3.773 . 5.553 3.876 3.147 4.303 . 0 0 "[ . 1]" 1
1795 1 46 ASP H 1 47 PHE H 3.530 . 5.162 4.175 3.963 4.325 . 0 0 "[ . 1]" 1
1796 1 72 GLN HA 1 77 LYS H 3.872 2.065 5.679 4.332 3.973 4.784 . 0 0 "[ . 1]" 1
1797 1 61 ASN QD 1 77 LYS H 3.549 . 5.189 4.302 4.121 4.494 . 0 0 "[ . 1]" 1
1798 1 59 MET HB3 1 77 LYS H 4.253 . 6.514 5.024 4.305 5.971 . 0 0 "[ . 1]" 1
1799 1 29 GLU HA 1 32 ARG H 2.945 . 3.920 3.232 3.138 3.339 . 0 0 "[ . 1]" 1
1800 1 53 TYR H 1 53 TYR QB 2.570 . 3.396 2.710 2.267 3.030 . 0 0 "[ . 1]" 1
1801 1 18 MET HG2 1 28 ILE H 3.438 . 4.881 3.370 2.805 4.234 . 0 0 "[ . 1]" 1
1802 1 26 ASP HA 1 28 ILE H 3.564 2.113 5.015 4.291 3.921 4.489 . 0 0 "[ . 1]" 1
1803 1 61 ASN QD 1 74 MET H 3.362 . 4.828 3.580 3.439 3.827 . 0 0 "[ . 1]" 1
1804 1 27 VAL HA 1 30 LYS H 3.199 2.088 4.310 3.336 3.108 3.637 . 0 0 "[ . 1]" 1
1805 1 21 LEU QB 1 23 ILE H 2.106 . 2.661 2.715 2.344 3.519 0.858 10 1 "[ . +]" 1
1806 1 84 GLN QG 1 85 MET H 3.617 . 5.252 3.097 2.770 3.646 . 0 0 "[ . 1]" 1
1807 1 67 LYS H 1 67 LYS HB3 2.660 . 3.545 2.377 2.041 2.663 . 0 0 "[ . 1]" 1
1808 1 112 SER HB2 1 113 THR H 2.196 . 2.799 2.719 2.262 2.993 0.194 8 0 "[ . 1]" 1
1809 1 99 GLN HA 1 113 THR H 2.182 . 2.777 2.373 2.282 2.485 . 0 0 "[ . 1]" 1
1810 1 12 LYS H 1 119 TYR QD 3.615 . 5.270 3.365 2.691 3.910 . 0 0 "[ . 1]" 1
1811 1 25 SER HA 1 26 ASP H 2.901 . 3.863 2.833 2.591 3.022 . 0 0 "[ . 1]" 1
1812 1 18 MET HG2 1 31 ALA H 5.675 . 9.363 5.704 5.069 6.025 . 0 0 "[ . 1]" 1
1813 1 27 VAL HA 1 31 ALA H 2.870 . 3.900 3.240 3.078 3.487 . 0 0 "[ . 1]" 1
1814 1 68 GLU QG 1 80 LYS H 4.241 . 6.490 5.102 4.836 5.522 . 0 0 "[ . 1]" 1
1815 1 1 ALA HA 1 2 PHE H 2.520 . 3.314 2.207 2.064 2.422 . 0 0 "[ . 1]" 1
1816 1 79 PHE HB3 1 80 LYS H 2.469 . 3.231 3.317 3.018 3.525 0.294 3 0 "[ . 1]" 1
1817 1 79 PHE HA 1 80 LYS H 2.299 . 3.004 2.367 2.171 2.570 . 0 0 "[ . 1]" 1
1818 1 18 MET HA 1 21 LEU H 3.113 2.155 4.071 3.016 2.777 3.230 . 0 0 "[ . 1]" 1
1819 1 40 VAL HB 1 48 THR H 4.593 2.099 7.087 5.586 4.756 6.015 . 0 0 "[ . 1]" 1
1820 1 25 SER H 1 25 SER HA 2.077 . 2.616 2.507 2.134 2.630 0.014 6 0 "[ . 1]" 1
1821 1 64 THR H 1 68 GLU H 4.514 . 7.058 5.260 4.849 6.043 . 0 0 "[ . 1]" 1
1822 1 64 THR H 1 67 LYS HB2 3.840 . 5.720 3.861 3.072 4.577 . 0 0 "[ . 1]" 1
1823 1 41 GLN HG3 1 48 THR H 5.071 . 8.142 6.037 5.709 6.342 . 0 0 "[ . 1]" 1
1824 1 47 PHE H 1 64 THR H 3.453 2.010 4.896 4.110 3.813 4.393 . 0 0 "[ . 1]" 1
1825 1 17 PHE H 1 19 LYS QB 3.814 . 5.671 4.228 4.074 4.363 . 0 0 "[ . 1]" 1
1826 1 17 PHE H 1 19 LYS HG2 4.018 . 6.036 4.413 4.046 4.719 . 0 0 "[ . 1]" 1
1827 1 31 ALA HA 1 54 SER H 3.717 . 5.444 3.255 2.518 4.439 . 0 0 "[ . 1]" 1
1828 1 53 TYR QB 1 54 SER H 2.531 . 3.332 2.840 2.311 3.128 . 0 0 "[ . 1]" 1
1829 1 53 TYR QB 1 54 SER H 2.639 . 3.509 2.421 2.128 2.706 . 0 0 "[ . 1]" 1
1830 1 89 LYS QD 1 101 SER H 3.731 . 5.505 3.921 3.136 4.616 . 0 0 "[ . 1]" 1
1831 1 13 ASN H 1 14 TYR H 2.384 . 3.094 2.425 1.974 2.626 . 0 0 "[ . 1]" 1
1832 1 13 ASN H 1 13 ASN HD22 3.993 . 5.986 5.007 3.881 5.493 . 0 0 "[ . 1]" 1
1833 1 12 LYS QE 1 13 ASN H 3.649 . 5.311 4.298 3.808 4.758 . 0 0 "[ . 1]" 1
1834 1 93 ASN HA 1 97 TYR H 4.128 . 6.351 4.211 3.926 4.690 . 0 0 "[ . 1]" 1
1835 1 17 PHE HB3 1 19 LYS H 3.615 . 5.248 4.145 3.440 4.708 . 0 0 "[ . 1]" 1
1836 1 18 MET HA 1 19 LYS H 2.257 . 2.894 2.744 2.654 2.812 . 0 0 "[ . 1]" 1
1837 1 18 MET HB2 1 19 LYS H 2.611 . 3.479 2.625 2.234 3.051 . 0 0 "[ . 1]" 1
1838 1 53 TYR H 1 57 HIS H 3.894 . 5.801 3.150 2.693 3.444 . 0 0 "[ . 1]" 1
1839 1 34 PHE QE 1 57 HIS H 3.559 . 5.142 5.064 4.614 5.450 0.308 5 0 "[ . 1]" 1
1840 1 11 GLU H 1 122 VAL H 3.699 . 5.429 4.400 4.064 4.851 . 0 0 "[ . 1]" 1
1841 1 46 ASP HB3 1 63 PHE H 4.993 . 7.986 5.064 4.662 5.587 . 0 0 "[ . 1]" 1
1842 1 62 LYS QD 1 63 PHE H 3.949 . 5.914 4.018 3.543 4.438 . 0 0 "[ . 1]" 1
1843 1 99 GLN HA 1 100 THR H 2.205 . 2.813 2.394 2.206 2.517 . 0 0 "[ . 1]" 1
1844 1 47 PHE HB3 1 63 PHE H 3.563 . 5.150 3.377 2.819 3.830 . 0 0 "[ . 1]" 1
1845 1 47 PHE H 1 63 PHE H 3.399 2.155 4.643 3.282 3.081 3.668 . 0 0 "[ . 1]" 1
1846 1 1 ALA HA 1 44 GLY H 4.483 . 6.999 5.126 4.271 5.762 . 0 0 "[ . 1]" 1
1847 1 29 GLU HA 1 33 ASN HD21 3.391 . 4.829 3.404 3.186 3.614 . 0 0 "[ . 1]" 1
1848 1 68 GLU H 1 70 ASN QD 3.067 . 4.243 4.159 2.722 5.022 0.779 2 2 "[ + - 1]" 1
1849 1 45 GLN HE21 1 45 GLN QG 2.827 . 3.826 2.064 1.960 2.281 . 0 0 "[ . 1]" 1
1850 1 66 GLY H 1 67 LYS HB3 3.953 2.062 5.844 4.579 4.148 4.904 . 0 0 "[ . 1]" 1
1851 1 86 GLU HB3 1 88 GLY H 3.478 . 5.390 4.033 2.830 4.860 . 0 0 "[ . 1]" 1
1852 1 1 ALA HA 1 3 THR H 2.720 . 3.645 3.046 2.912 3.251 . 0 0 "[ . 1]" 1
1853 1 3 THR H 1 3 THR HA 2.169 . 2.757 2.351 2.259 2.448 . 0 0 "[ . 1]" 1
1854 1 73 THR HA 1 76 GLY H 2.846 . 3.859 4.123 3.862 4.260 0.401 3 0 "[ . 1]" 1
1855 1 72 GLN HA 1 76 GLY H 4.145 . 6.292 5.386 5.085 5.625 . 0 0 "[ . 1]" 1
1856 1 59 MET HB3 1 76 GLY H 4.168 . 6.339 4.798 3.885 5.848 . 0 0 "[ . 1]" 1
1857 1 51 GLN QE 1 52 HIS HB3 5.293 . 8.597 6.777 5.954 7.733 . 0 0 "[ . 1]" 1
1858 1 74 MET HA 1 75 GLY H 2.275 . 2.922 2.766 2.736 2.829 . 0 0 "[ . 1]" 1
1859 1 19 LYS QB 1 22 GLY H 4.157 . 6.317 4.251 4.099 4.576 . 0 0 "[ . 1]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 28
_Distance_constraint_stats_list.Viol_count 10
_Distance_constraint_stats_list.Viol_total 39.115
_Distance_constraint_stats_list.Viol_max 1.093
_Distance_constraint_stats_list.Viol_rms 0.0927
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0140
_Distance_constraint_stats_list.Viol_average_violations_only 0.3911
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 47 PHE 1.858 0.662 2 1 "[ + . 1]"
1 49 TRP 0.902 0.529 5 1 "[ + 1]"
1 63 PHE 0.000 0.000 . 0 "[ . 1]"
1 74 MET 1.093 1.093 2 1 "[ + . 1]"
1 75 GLY 0.059 0.059 7 0 "[ . 1]"
1 90 LEU 0.000 0.000 . 0 "[ . 1]"
1 101 SER 0.000 0.000 . 0 "[ . 1]"
2 1 GCH 0.902 0.529 5 1 "[ + 1]"
3 1 CHO 3.010 1.093 2 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 49 TRP HZ3 2 1 GCH H10 5.300 2.800 6.000 3.167 2.271 4.565 0.529 5 1 "[ + 1]" 2
2 1 101 SER QB 2 1 GCH H10 3.800 . 5.300 2.792 1.933 4.447 . 0 0 "[ . 1]" 2
3 1 101 SER QB 2 1 GCH H11 3.900 . 5.400 2.757 1.985 4.262 . 0 0 "[ . 1]" 2
4 1 49 TRP HZ3 2 1 GCH H12 5.000 2.500 6.000 5.093 4.638 5.912 . 0 0 "[ . 1]" 2
5 1 47 PHE HB2 3 1 CHO H41 5.200 2.700 6.000 5.794 5.179 6.662 0.662 2 1 "[ + . 1]" 2
6 1 47 PHE HB3 3 1 CHO H41 5.500 3.000 6.000 5.305 4.458 6.381 0.381 10 0 "[ . 1]" 2
7 1 49 TRP HE3 3 1 CHO H42 3.200 . 4.700 2.990 1.942 3.869 . 0 0 "[ . 1]" 2
8 1 49 TRP HZ3 3 1 CHO H42 2.900 . 4.400 2.701 2.186 3.418 . 0 0 "[ . 1]" 2
9 1 63 PHE HZ 3 1 CHO H41 3.000 . 4.500 2.893 2.162 4.223 . 0 0 "[ . 1]" 2
10 1 63 PHE HZ 3 1 CHO H42 4.300 . 5.800 4.449 3.608 5.495 . 0 0 "[ . 1]" 2
11 1 90 LEU HB2 3 1 CHO H41 4.300 . 5.800 4.557 3.871 5.157 . 0 0 "[ . 1]" 2
12 1 90 LEU HB3 3 1 CHO H41 4.400 . 5.900 4.359 3.234 5.159 . 0 0 "[ . 1]" 2
13 1 90 LEU HB2 3 1 CHO H42 5.100 2.600 6.000 4.930 4.560 5.274 . 0 0 "[ . 1]" 2
14 1 90 LEU HB3 3 1 CHO H42 5.000 2.500 6.000 4.972 4.353 5.426 . 0 0 "[ . 1]" 2
15 1 74 MET H 3 1 CHO HN 3.500 . 5.000 3.352 2.873 4.011 . 0 0 "[ . 1]" 2
16 1 74 MET QB 3 1 CHO HN 3.200 . 4.700 3.091 2.391 3.787 . 0 0 "[ . 1]" 2
17 1 75 GLY HA3 3 1 CHO HN 4.300 . 5.800 4.465 3.495 5.608 . 0 0 "[ . 1]" 2
18 1 75 GLY H 3 1 CHO HN 3.300 . 4.800 3.184 2.619 3.947 . 0 0 "[ . 1]" 2
19 1 74 MET QB 3 1 CHO H261 5.500 3.000 6.000 5.206 4.198 5.968 . 0 0 "[ . 1]" 2
20 1 75 GLY H 3 1 CHO H261 4.600 2.100 6.000 4.614 4.107 5.359 . 0 0 "[ . 1]" 2
21 1 74 MET H 3 1 CHO H262 5.100 2.600 6.000 4.595 3.372 5.374 . 0 0 "[ . 1]" 2
22 1 75 GLY HA3 3 1 CHO H261 5.200 2.700 6.000 5.141 4.393 5.718 . 0 0 "[ . 1]" 2
23 1 75 GLY HA3 3 1 CHO H262 5.000 2.500 6.000 5.235 4.318 6.059 0.059 7 0 "[ . 1]" 2
24 1 74 MET H 3 1 CHO H261 5.700 3.200 6.000 5.263 4.257 5.909 . 0 0 "[ . 1]" 2
25 1 74 MET QB 3 1 CHO H231 3.200 . 4.700 3.145 2.241 5.793 1.093 2 1 "[ + . 1]" 2
26 1 63 PHE HZ 3 1 CHO H3 3.200 . 4.700 3.072 2.544 4.264 . 0 0 "[ . 1]" 2
27 1 90 LEU HB2 3 1 CHO H3 3.300 . 4.800 2.885 2.197 3.873 . 0 0 "[ . 1]" 2
28 1 90 LEU HB3 3 1 CHO H3 2.400 . 3.900 2.337 1.988 2.831 . 0 0 "[ . 1]" 2
stop_
save_
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