NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
527188 |
2lmi   |
18118 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2lmi
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 1038
_Distance_constraint_stats_list.Viol_count 2825
_Distance_constraint_stats_list.Viol_total 7836.324
_Distance_constraint_stats_list.Viol_max 1.608
_Distance_constraint_stats_list.Viol_rms 0.0870
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0189
_Distance_constraint_stats_list.Viol_average_violations_only 0.1387
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 2 SER 0.356 0.064 8 0 "[ . 1 . 2]"
1 3 LYS 0.629 0.083 7 0 "[ . 1 . 2]"
1 4 LEU 0.629 0.083 7 0 "[ . 1 . 2]"
1 5 GLU 2.284 0.093 19 0 "[ . 1 . 2]"
1 6 GLU 1.444 0.093 19 0 "[ . 1 . 2]"
1 7 GLU 9.938 1.004 11 10 "[** *.- *+* ** *]"
1 8 VAL 3.173 0.106 17 0 "[ . 1 . 2]"
1 9 ASP 7.744 0.419 9 0 "[ . 1 . 2]"
1 10 ASP 6.544 0.419 9 0 "[ . 1 . 2]"
1 11 VAL 19.071 1.451 5 11 "[ - +***** ** . **]"
1 12 PHE 15.791 0.905 17 13 "[ * ****-* ** .*+ **]"
1 13 LEU 37.048 1.451 5 13 "[ * +***** ** .*- **]"
1 14 ILE 5.893 0.105 5 0 "[ . 1 . 2]"
1 15 ARG 1.296 0.292 15 0 "[ . 1 . 2]"
1 16 ALA 1.518 0.128 14 0 "[ . 1 . 2]"
1 17 GLN 1.889 0.271 11 0 "[ . 1 . 2]"
1 18 GLY 0.715 0.164 5 0 "[ . 1 . 2]"
1 19 LEU 7.233 0.773 10 4 "[ . * + . -*]"
1 20 PRO 1.902 0.116 2 0 "[ . 1 . 2]"
1 21 TRP 1.379 0.101 2 0 "[ . 1 . 2]"
1 22 SER 0.933 0.101 2 0 "[ . 1 . 2]"
1 23 CYS 1.994 0.129 3 0 "[ . 1 . 2]"
1 24 THR 3.821 0.485 7 0 "[ . 1 . 2]"
1 25 MET 7.584 0.485 7 0 "[ . 1 . 2]"
1 26 GLU 12.859 0.711 8 15 "[** ****+******.* - 2]"
1 27 ASP 1.811 0.104 8 0 "[ . 1 . 2]"
1 28 VAL 18.957 0.981 18 17 "[* ***** ******- *+**]"
1 29 LEU 30.025 0.981 18 20 [*****************+**]
1 30 ASN 6.860 0.450 3 0 "[ . 1 . 2]"
1 31 PHE 5.453 0.480 2 0 "[ . 1 . 2]"
1 32 PHE 21.244 0.814 2 8 "[ + *- * 1 * .* * *]"
1 33 SER 5.794 0.266 9 0 "[ . 1 . 2]"
1 34 ASP 1.090 0.076 5 0 "[ . 1 . 2]"
1 35 CYS 7.060 0.673 2 5 "[ + . 1 * -* *]"
1 36 ARG 2.621 0.264 14 0 "[ . 1 . 2]"
1 37 ILE 13.749 0.471 13 0 "[ . 1 . 2]"
1 38 ARG 4.823 0.471 13 0 "[ . 1 . 2]"
1 39 ASN 3.826 1.119 12 2 "[ - 1 + . 2]"
1 40 GLY 4.435 0.509 6 1 "[ .+ 1 . 2]"
1 41 GLU 4.582 0.509 6 1 "[ .+ 1 . 2]"
1 42 ASN 7.346 1.119 12 2 "[ - 1 + . 2]"
1 43 GLY 2.521 0.100 6 0 "[ . 1 . 2]"
1 44 ILE 10.439 0.363 6 0 "[ . 1 . 2]"
1 45 HIS 2.208 0.363 6 0 "[ . 1 . 2]"
1 46 PHE 2.001 0.206 7 0 "[ . 1 . 2]"
1 47 LEU 4.065 0.340 11 0 "[ . 1 . 2]"
1 48 LEU 3.328 0.340 11 0 "[ . 1 . 2]"
1 49 ASN 6.155 0.659 12 2 "[- . 1 + . 2]"
1 50 ARG 2.208 0.659 12 1 "[ . 1 + . 2]"
1 51 ASP 3.298 0.524 1 1 "[+ . 1 . 2]"
1 52 GLY 0.833 0.100 17 0 "[ . 1 . 2]"
1 53 LYS 24.316 1.608 18 9 "[ * * *1*-* .* +*2]"
1 54 ARG 11.779 1.608 18 7 "[ - . *1* * .* +*2]"
1 55 ARG 7.178 1.085 18 5 "[ ** * 1- . + 2]"
1 56 GLY 4.924 0.773 10 4 "[ . * + . -*]"
1 57 ASP 5.119 1.085 18 5 "[ ** * 1- . + 2]"
1 58 ALA 2.588 0.129 18 0 "[ . 1 . 2]"
1 59 LEU 1.415 0.087 11 0 "[ . 1 . 2]"
1 60 ILE 11.850 1.373 15 5 "[ - . * * + * 2]"
1 61 GLU 9.561 1.373 15 5 "[ - . * * + * 2]"
1 62 MET 11.652 0.673 2 5 "[ + . 1 * -* *]"
1 63 GLU 1.490 0.172 16 0 "[ . 1 . 2]"
1 64 SER 2.087 0.091 14 0 "[ . 1 . 2]"
1 65 GLU 0.657 0.093 7 0 "[ . 1 . 2]"
1 66 GLN 9.245 0.587 16 1 "[ . 1 .+ 2]"
1 67 ASP 7.703 0.587 16 1 "[ . 1 .+ 2]"
1 68 VAL 3.414 0.104 18 0 "[ . 1 . 2]"
1 69 GLN 13.329 1.309 11 9 "[ ** * **+ ** -2]"
1 70 LYS 7.905 0.554 2 7 "[-+ *. * 1 ** . *]"
1 71 ALA 1.379 0.288 11 0 "[ . 1 . 2]"
1 72 LEU 20.235 1.309 11 9 "[ ** * **+ -* *2]"
1 73 GLU 1.435 0.305 20 0 "[ . 1 . 2]"
1 74 LYS 4.489 0.814 2 3 "[ + - * 1 . 2]"
1 75 HIS 0.311 0.127 8 0 "[ . 1 . 2]"
1 76 ARG 0.227 0.044 16 0 "[ . 1 . 2]"
1 77 MET 2.815 0.128 1 0 "[ . 1 . 2]"
1 78 TYR 2.940 0.103 18 0 "[ . 1 . 2]"
1 79 MET 6.210 0.776 17 4 "[ *. 1 . + -*]"
1 80 GLY 1.521 0.593 17 2 "[ . 1 .-+ 2]"
1 81 GLN 4.163 1.049 17 3 "[ . 1 .-+ *]"
1 82 ARG 13.493 1.049 17 6 "[ *. * 1 .*+ -*]"
1 84 VAL 2.137 0.103 18 0 "[ . 1 . 2]"
1 86 VAL 1.263 0.091 4 0 "[ . 1 . 2]"
1 87 TYR 0.971 0.292 15 0 "[ . 1 . 2]"
1 88 GLU 1.172 0.102 5 0 "[ . 1 . 2]"
1 89 ILE 9.397 0.607 3 2 "[ + . - . 2]"
1 90 ASN 14.340 1.020 3 6 "[ + .** *- . * 2]"
1 91 ASN 6.388 0.655 20 5 "[ .- * ** . +]"
1 92 GLU 2.929 0.466 3 0 "[ . 1 . 2]"
1 93 ASP 13.185 1.020 3 6 "[ + .** -* . * 2]"
1 94 VAL 17.206 0.641 6 17 "[*****+** **- *.*****]"
1 95 ASP 25.830 0.641 6 17 "[*****+** *** *.*-***]"
1 96 ALA 4.187 0.158 18 0 "[ . 1 . 2]"
1 97 LEU 8.082 0.434 7 0 "[ . 1 . 2]"
1 98 MET 5.958 0.160 7 0 "[ . 1 . 2]"
1 99 LYS 3.928 0.123 16 0 "[ . 1 . 2]"
1 100 SER 0.633 0.078 6 0 "[ . 1 . 2]"
1 101 LEU 2.041 0.104 7 0 "[ . 1 . 2]"
1 102 GLN 6.444 0.537 5 1 "[ + 1 . 2]"
1 103 VAL 3.535 0.104 2 0 "[ . 1 . 2]"
1 104 LYS 5.076 1.097 16 3 "[ * . 1 -.+ 2]"
1 105 SER 3.147 1.097 16 3 "[ * . 1 -.+ 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 2 SER H 1 2 SER HA . . 2.890 2.855 2.650 2.954 0.064 8 0 "[ . 1 . 2]" 1
2 1 2 SER H 1 3 LYS H . . 4.800 4.388 4.030 4.652 . 0 0 "[ . 1 . 2]" 1
3 1 2 SER HA 1 3 LYS H . . 2.690 2.299 2.085 2.626 . 0 0 "[ . 1 . 2]" 1
4 1 3 LYS H 1 4 LEU H . . 3.220 2.846 1.762 3.303 0.083 7 0 "[ . 1 . 2]" 1
5 1 4 LEU HA 1 5 GLU H . . 2.770 2.494 2.359 2.690 . 0 0 "[ . 1 . 2]" 1
6 1 5 GLU H 1 5 GLU HB3 . . 3.600 3.534 3.098 3.686 0.086 10 0 "[ . 1 . 2]" 1
7 1 5 GLU H 1 6 GLU H . . 2.930 2.482 2.124 3.012 0.082 4 0 "[ . 1 . 2]" 1
8 1 5 GLU HA 1 6 GLU H . . 2.830 2.805 2.296 2.923 0.093 19 0 "[ . 1 . 2]" 1
9 1 6 GLU H 1 6 GLU HB3 . . 3.920 3.432 2.556 3.909 . 0 0 "[ . 1 . 2]" 1
10 1 6 GLU H 1 8 VAL QG . . 5.480 5.068 4.830 5.260 . 0 0 "[ . 1 . 2]" 1
11 1 7 GLU H 1 7 GLU HB3 . . 2.950 3.393 2.535 3.954 1.004 11 10 "[** *.- *+* ** *]" 1
12 1 7 GLU H 1 8 VAL H . . 3.130 2.625 1.607 3.210 0.080 19 0 "[ . 1 . 2]" 1
13 1 7 GLU H 1 8 VAL QG . . 4.880 2.813 1.978 3.704 . 0 0 "[ . 1 . 2]" 1
14 1 7 GLU HB3 1 8 VAL H . . 4.770 4.432 4.158 4.615 . 0 0 "[ . 1 . 2]" 1
15 1 8 VAL H 1 8 VAL QG . . 3.090 2.047 1.781 2.372 . 0 0 "[ . 1 . 2]" 1
16 1 8 VAL HA 1 8 VAL QG . . 3.100 2.336 2.078 2.481 . 0 0 "[ . 1 . 2]" 1
17 1 8 VAL HA 1 9 ASP H . . 2.490 2.386 1.890 2.578 0.088 20 0 "[ . 1 . 2]" 1
18 1 8 VAL HA 1 9 ASP HA . . 4.290 4.352 4.272 4.381 0.091 19 0 "[ . 1 . 2]" 1
19 1 8 VAL HA 1 9 ASP HB3 . . 5.500 4.877 4.117 5.522 0.022 20 0 "[ . 1 . 2]" 1
20 1 8 VAL HB 1 9 ASP H . . 3.340 2.406 2.026 3.232 . 0 0 "[ . 1 . 2]" 1
21 1 8 VAL QG 1 9 ASP H . . 3.800 2.920 2.603 3.507 . 0 0 "[ . 1 . 2]" 1
22 1 8 VAL QG 1 10 ASP HA . . 4.830 4.640 4.199 4.854 0.024 11 0 "[ . 1 . 2]" 1
23 1 8 VAL QG 1 11 VAL QG . . 2.670 2.580 1.995 2.776 0.106 17 0 "[ . 1 . 2]" 1
24 1 9 ASP H 1 9 ASP HB3 . . 3.180 2.693 2.257 3.038 . 0 0 "[ . 1 . 2]" 1
25 1 9 ASP H 1 11 VAL QG . . 5.150 3.345 2.265 5.180 0.030 19 0 "[ . 1 . 2]" 1
26 1 9 ASP HA 1 9 ASP HB3 . . 2.890 3.002 2.956 3.039 0.149 16 0 "[ . 1 . 2]" 1
27 1 9 ASP HA 1 10 ASP H . . 2.590 2.633 2.427 2.691 0.101 4 0 "[ . 1 . 2]" 1
28 1 9 ASP HA 1 10 ASP HB3 . . 5.070 5.105 4.489 5.489 0.419 9 0 "[ . 1 . 2]" 1
29 1 9 ASP HA 1 11 VAL H . . 4.800 4.213 3.268 4.861 0.061 4 0 "[ . 1 . 2]" 1
30 1 10 ASP H 1 10 ASP HB3 . . 3.370 2.649 2.210 3.083 . 0 0 "[ . 1 . 2]" 1
31 1 10 ASP H 1 11 VAL H . . 3.380 2.975 1.756 3.477 0.097 15 0 "[ . 1 . 2]" 1
32 1 10 ASP H 1 11 VAL QG . . 4.370 3.421 2.366 3.952 . 0 0 "[ . 1 . 2]" 1
33 1 10 ASP HA 1 10 ASP HB3 . . 3.020 3.044 2.978 3.068 0.048 17 0 "[ . 1 . 2]" 1
34 1 10 ASP HA 1 11 VAL H . . 2.750 2.643 2.203 2.833 0.083 19 0 "[ . 1 . 2]" 1
35 1 10 ASP HA 1 11 VAL HA . . 4.820 4.570 4.380 4.712 . 0 0 "[ . 1 . 2]" 1
36 1 10 ASP HA 1 11 VAL QG . . 4.060 4.057 3.509 4.178 0.118 14 0 "[ . 1 . 2]" 1
37 1 10 ASP HB3 1 11 VAL QG . . 5.320 4.555 2.938 5.125 . 0 0 "[ . 1 . 2]" 1
38 1 11 VAL H 1 11 VAL HB . . 3.090 2.943 2.621 3.166 0.076 11 0 "[ . 1 . 2]" 1
39 1 11 VAL H 1 11 VAL QG . . 3.130 2.146 1.855 2.961 . 0 0 "[ . 1 . 2]" 1
40 1 11 VAL H 1 12 PHE H . . 4.440 4.385 4.105 4.526 0.086 17 0 "[ . 1 . 2]" 1
41 1 11 VAL H 1 94 VAL QG . . 4.970 5.009 4.754 5.107 0.137 9 0 "[ . 1 . 2]" 1
42 1 11 VAL HA 1 11 VAL QG . . 2.980 2.298 2.081 2.484 . 0 0 "[ . 1 . 2]" 1
43 1 11 VAL HA 1 12 PHE H . . 2.770 2.136 2.017 2.320 . 0 0 "[ . 1 . 2]" 1
44 1 11 VAL HA 1 12 PHE HA . . 4.790 4.424 4.318 4.550 . 0 0 "[ . 1 . 2]" 1
45 1 11 VAL HA 1 12 PHE QD . . 4.540 4.178 3.089 4.606 0.066 12 0 "[ . 1 . 2]" 1
46 1 11 VAL HB 1 12 PHE H . . 4.130 4.106 3.340 4.214 0.084 2 0 "[ . 1 . 2]" 1
47 1 11 VAL HB 1 94 VAL QG . . 3.750 3.140 2.456 3.879 0.129 7 0 "[ . 1 . 2]" 1
48 1 11 VAL QG 1 12 PHE H . . 3.350 2.692 1.934 3.188 . 0 0 "[ . 1 . 2]" 1
49 1 11 VAL QG 1 12 PHE HA . . 3.970 3.699 3.438 4.033 0.063 17 0 "[ . 1 . 2]" 1
50 1 11 VAL QG 1 13 LEU H . . 4.010 2.289 1.817 3.345 . 0 0 "[ . 1 . 2]" 1
51 1 11 VAL QG 1 13 LEU HA . . 5.040 4.434 4.091 5.139 0.099 9 0 "[ . 1 . 2]" 1
52 1 11 VAL QG 1 13 LEU HB3 . . 3.280 3.690 2.419 4.731 1.451 5 11 "[ - +***** ** . **]" 1
53 1 11 VAL QG 1 90 ASN HA . . 5.220 3.320 2.745 4.525 . 0 0 "[ . 1 . 2]" 1
54 1 12 PHE H 1 12 PHE QD . . 3.980 3.400 2.657 3.687 . 0 0 "[ . 1 . 2]" 1
55 1 12 PHE H 1 13 LEU HB3 . . 5.200 5.045 3.884 5.813 0.613 20 1 "[ . 1 . +]" 1
56 1 12 PHE H 1 68 VAL QG . . 5.210 4.417 4.052 4.769 . 0 0 "[ . 1 . 2]" 1
57 1 12 PHE HA 1 12 PHE QD . . 3.140 2.497 2.205 3.261 0.121 9 0 "[ . 1 . 2]" 1
58 1 12 PHE HA 1 13 LEU H . . 3.020 2.795 2.378 3.035 0.015 14 0 "[ . 1 . 2]" 1
59 1 12 PHE HA 1 13 LEU HB3 . . 5.420 5.926 5.308 6.325 0.905 17 13 "[ * ****-* ** .*+ **]" 1
60 1 12 PHE HA 1 68 VAL QG . . 4.160 2.143 1.939 2.932 . 0 0 "[ . 1 . 2]" 1
61 1 12 PHE QD 1 13 LEU H . . 4.900 4.785 4.435 4.970 0.070 3 0 "[ . 1 . 2]" 1
62 1 12 PHE QD 1 64 SER H . . 5.500 5.032 4.467 5.576 0.076 17 0 "[ . 1 . 2]" 1
63 1 12 PHE QD 1 64 SER HA . . 4.750 3.221 2.729 3.921 . 0 0 "[ . 1 . 2]" 1
64 1 12 PHE QD 1 65 GLU H . . 4.880 2.899 2.297 4.239 . 0 0 "[ . 1 . 2]" 1
65 1 12 PHE QD 1 65 GLU HA . . 3.950 2.882 2.517 3.871 . 0 0 "[ . 1 . 2]" 1
66 1 12 PHE QD 1 65 GLU HB3 . . 4.930 3.536 2.026 4.380 . 0 0 "[ . 1 . 2]" 1
67 1 12 PHE QD 1 68 VAL QG . . 3.250 3.199 2.691 3.329 0.079 9 0 "[ . 1 . 2]" 1
68 1 13 LEU H 1 13 LEU HB3 . . 3.340 3.457 2.617 3.925 0.585 7 6 "[ . +* 1 ** . - *2]" 1
69 1 13 LEU H 1 13 LEU QD . . 4.090 3.460 2.406 4.074 . 0 0 "[ . 1 . 2]" 1
70 1 13 LEU H 1 14 ILE H . . 5.050 4.387 4.266 4.472 . 0 0 "[ . 1 . 2]" 1
71 1 13 LEU H 1 68 VAL QG . . 4.180 3.185 2.650 3.641 . 0 0 "[ . 1 . 2]" 1
72 1 13 LEU H 1 89 ILE H . . 5.430 4.019 3.329 4.744 . 0 0 "[ . 1 . 2]" 1
73 1 13 LEU H 1 89 ILE HB . . 5.250 4.154 3.230 4.817 . 0 0 "[ . 1 . 2]" 1
74 1 13 LEU HA 1 13 LEU QD . . 3.500 2.570 2.115 3.225 . 0 0 "[ . 1 . 2]" 1
75 1 13 LEU HA 1 14 ILE H . . 3.000 2.206 2.008 2.423 . 0 0 "[ . 1 . 2]" 1
76 1 13 LEU HA 1 14 ILE MD . . 5.240 5.081 4.870 5.222 . 0 0 "[ . 1 . 2]" 1
77 1 13 LEU HA 1 61 GLU HA . . 3.860 3.348 2.780 3.938 0.078 9 0 "[ . 1 . 2]" 1
78 1 13 LEU HA 1 62 MET H . . 4.000 3.051 2.402 3.701 . 0 0 "[ . 1 . 2]" 1
79 1 13 LEU HB3 1 13 LEU QD . . 3.210 2.165 2.080 2.264 . 0 0 "[ . 1 . 2]" 1
80 1 13 LEU HB3 1 14 ILE H . . 4.180 3.208 2.540 4.065 . 0 0 "[ . 1 . 2]" 1
81 1 13 LEU HB3 1 14 ILE HA . . 4.620 4.500 4.275 4.696 0.076 14 0 "[ . 1 . 2]" 1
82 1 13 LEU HB3 1 89 ILE H . . 4.970 4.509 4.000 5.412 0.442 8 0 "[ . 1 . 2]" 1
83 1 13 LEU HB3 1 89 ILE HB . . 4.370 3.172 2.355 3.976 . 0 0 "[ . 1 . 2]" 1
84 1 13 LEU HB3 1 89 ILE MD . . 4.890 4.444 3.751 5.089 0.199 20 0 "[ . 1 . 2]" 1
85 1 13 LEU QD 1 61 GLU HA . . 3.600 2.566 1.936 3.473 . 0 0 "[ . 1 . 2]" 1
86 1 13 LEU QD 1 61 GLU HB3 . . 5.150 3.711 2.836 4.440 . 0 0 "[ . 1 . 2]" 1
87 1 13 LEU QD 1 89 ILE HB . . 3.010 3.052 2.423 3.134 0.124 19 0 "[ . 1 . 2]" 1
88 1 13 LEU QD 1 98 MET ME . . 3.030 3.109 2.688 3.190 0.160 7 0 "[ . 1 . 2]" 1
89 1 13 LEU QD 1 98 MET HG3 . . 5.380 4.220 3.429 5.116 . 0 0 "[ . 1 . 2]" 1
90 1 14 ILE H 1 14 ILE HB . . 4.170 3.882 3.787 4.004 . 0 0 "[ . 1 . 2]" 1
91 1 14 ILE H 1 14 ILE MD . . 4.390 4.044 3.826 4.269 . 0 0 "[ . 1 . 2]" 1
92 1 14 ILE H 1 14 ILE HG13 . . 3.970 3.104 2.774 3.430 . 0 0 "[ . 1 . 2]" 1
93 1 14 ILE H 1 14 ILE MG . . 4.020 3.075 2.745 3.259 . 0 0 "[ . 1 . 2]" 1
94 1 14 ILE H 1 15 ARG H . . 5.060 4.437 4.380 4.587 . 0 0 "[ . 1 . 2]" 1
95 1 14 ILE H 1 60 ILE H . . 3.900 3.130 2.871 3.523 . 0 0 "[ . 1 . 2]" 1
96 1 14 ILE H 1 60 ILE HB . . 4.740 3.267 2.884 3.754 . 0 0 "[ . 1 . 2]" 1
97 1 14 ILE H 1 60 ILE MG . . 5.500 4.311 3.956 4.745 . 0 0 "[ . 1 . 2]" 1
98 1 14 ILE H 1 61 GLU HA . . 5.100 4.371 3.984 4.844 . 0 0 "[ . 1 . 2]" 1
99 1 14 ILE H 1 62 MET ME . . 5.010 4.750 4.258 5.085 0.075 17 0 "[ . 1 . 2]" 1
100 1 14 ILE H 1 89 ILE MD . . 5.300 4.594 4.009 5.292 . 0 0 "[ . 1 . 2]" 1
101 1 14 ILE HA 1 14 ILE MD . . 4.710 4.206 4.170 4.260 . 0 0 "[ . 1 . 2]" 1
102 1 14 ILE HA 1 14 ILE MG . . 3.300 2.360 2.277 2.435 . 0 0 "[ . 1 . 2]" 1
103 1 14 ILE HA 1 15 ARG H . . 3.240 2.374 2.267 2.505 . 0 0 "[ . 1 . 2]" 1
104 1 14 ILE HA 1 68 VAL QG . . 4.480 4.290 4.105 4.431 . 0 0 "[ . 1 . 2]" 1
105 1 14 ILE HA 1 88 GLU HA . . 3.660 2.380 1.964 3.035 . 0 0 "[ . 1 . 2]" 1
106 1 14 ILE HA 1 89 ILE H . . 3.940 2.953 2.706 3.155 . 0 0 "[ . 1 . 2]" 1
107 1 14 ILE HA 1 89 ILE MD . . 4.680 3.291 2.824 4.028 . 0 0 "[ . 1 . 2]" 1
108 1 14 ILE HA 1 89 ILE MG . . 5.180 5.026 4.420 5.269 0.089 2 0 "[ . 1 . 2]" 1
109 1 14 ILE HB 1 15 ARG H . . 3.560 2.434 2.192 2.651 . 0 0 "[ . 1 . 2]" 1
110 1 14 ILE HB 1 60 ILE HB . . 4.790 4.569 4.299 4.831 0.041 17 0 "[ . 1 . 2]" 1
111 1 14 ILE HB 1 88 GLU HA . . 5.220 3.385 2.721 3.781 . 0 0 "[ . 1 . 2]" 1
112 1 14 ILE HB 1 89 ILE H . . 5.040 5.073 4.872 5.126 0.086 20 0 "[ . 1 . 2]" 1
113 1 14 ILE MD 1 14 ILE MG . . 3.420 2.066 2.029 2.169 . 0 0 "[ . 1 . 2]" 1
114 1 14 ILE MD 1 15 ARG H . . 4.340 4.256 3.923 4.436 0.096 9 0 "[ . 1 . 2]" 1
115 1 14 ILE MD 1 32 PHE QD . . 4.940 3.944 3.472 4.332 . 0 0 "[ . 1 . 2]" 1
116 1 14 ILE MD 1 32 PHE QE . . 4.100 3.078 2.651 3.514 . 0 0 "[ . 1 . 2]" 1
117 1 14 ILE MD 1 60 ILE H . . 5.180 4.956 4.549 5.258 0.078 3 0 "[ . 1 . 2]" 1
118 1 14 ILE MD 1 60 ILE HB . . 4.360 3.058 2.679 3.352 . 0 0 "[ . 1 . 2]" 1
119 1 14 ILE MD 1 62 MET HB3 . . 5.320 4.967 4.198 5.308 . 0 0 "[ . 1 . 2]" 1
120 1 14 ILE MD 1 62 MET ME . . 3.340 2.238 1.961 2.854 . 0 0 "[ . 1 . 2]" 1
121 1 14 ILE MD 1 68 VAL HA . . 4.180 3.402 2.983 3.929 . 0 0 "[ . 1 . 2]" 1
122 1 14 ILE MD 1 68 VAL QG . . 4.070 3.019 2.462 3.584 . 0 0 "[ . 1 . 2]" 1
123 1 14 ILE MD 1 71 ALA H . . 5.500 4.434 4.130 4.823 . 0 0 "[ . 1 . 2]" 1
124 1 14 ILE MD 1 71 ALA HA . . 4.920 4.362 4.017 4.856 . 0 0 "[ . 1 . 2]" 1
125 1 14 ILE MD 1 71 ALA MB . . 3.350 2.086 1.891 2.425 . 0 0 "[ . 1 . 2]" 1
126 1 14 ILE MD 1 72 LEU H . . 5.380 4.395 3.921 4.788 . 0 0 "[ . 1 . 2]" 1
127 1 14 ILE MD 1 72 LEU QD . . 4.310 3.226 2.799 4.230 . 0 0 "[ . 1 . 2]" 1
128 1 14 ILE MD 1 72 LEU HG . . 5.290 4.883 3.807 5.382 0.092 13 0 "[ . 1 . 2]" 1
129 1 14 ILE MD 1 86 VAL HB . . 5.380 4.445 3.491 5.471 0.091 4 0 "[ . 1 . 2]" 1
130 1 14 ILE MD 1 86 VAL QG . . 3.480 2.204 1.931 2.898 . 0 0 "[ . 1 . 2]" 1
131 1 14 ILE MD 1 87 TYR H . . 5.310 4.693 4.172 5.006 . 0 0 "[ . 1 . 2]" 1
132 1 14 ILE MD 1 88 GLU HA . . 4.870 4.876 4.491 4.972 0.102 5 0 "[ . 1 . 2]" 1
133 1 14 ILE HG13 1 15 ARG H . . 4.470 3.701 3.376 3.998 . 0 0 "[ . 1 . 2]" 1
134 1 14 ILE HG13 1 60 ILE H . . 4.480 3.657 3.240 4.112 . 0 0 "[ . 1 . 2]" 1
135 1 14 ILE HG13 1 60 ILE HB . . 3.640 2.186 2.035 2.498 . 0 0 "[ . 1 . 2]" 1
136 1 14 ILE MG 1 15 ARG H . . 3.830 3.698 3.564 3.876 0.046 13 0 "[ . 1 . 2]" 1
137 1 14 ILE MG 1 60 ILE H . . 5.500 5.387 5.176 5.579 0.079 13 0 "[ . 1 . 2]" 1
138 1 14 ILE MG 1 62 MET HB3 . . 4.620 4.495 3.883 4.725 0.105 5 0 "[ . 1 . 2]" 1
139 1 14 ILE MG 1 68 VAL HA . . 3.750 3.400 2.867 3.854 0.104 18 0 "[ . 1 . 2]" 1
140 1 14 ILE MG 1 68 VAL QG . . 3.050 1.863 1.762 2.005 . 0 0 "[ . 1 . 2]" 1
141 1 14 ILE MG 1 87 TYR H . . 5.020 4.636 3.904 5.090 0.070 15 0 "[ . 1 . 2]" 1
142 1 14 ILE MG 1 88 GLU H . . 4.900 4.151 3.770 4.751 . 0 0 "[ . 1 . 2]" 1
143 1 14 ILE MG 1 88 GLU HA . . 3.490 2.055 1.950 2.365 . 0 0 "[ . 1 . 2]" 1
144 1 14 ILE MG 1 89 ILE H . . 4.370 3.484 3.143 3.704 . 0 0 "[ . 1 . 2]" 1
145 1 15 ARG H 1 86 VAL QG . . 4.460 3.609 3.088 4.324 . 0 0 "[ . 1 . 2]" 1
146 1 15 ARG H 1 87 TYR H . . 4.100 2.955 2.735 3.354 . 0 0 "[ . 1 . 2]" 1
147 1 15 ARG H 1 87 TYR HB3 . . 4.970 4.569 3.494 5.038 0.068 20 0 "[ . 1 . 2]" 1
148 1 15 ARG H 1 88 GLU HA . . 4.520 3.713 3.047 4.080 . 0 0 "[ . 1 . 2]" 1
149 1 15 ARG H 1 89 ILE H . . 4.890 4.793 4.529 4.962 0.072 4 0 "[ . 1 . 2]" 1
150 1 15 ARG H 1 89 ILE MD . . 4.490 3.160 2.698 4.048 . 0 0 "[ . 1 . 2]" 1
151 1 15 ARG HA 1 16 ALA H . . 3.140 2.235 2.103 2.380 . 0 0 "[ . 1 . 2]" 1
152 1 15 ARG HA 1 16 ALA MB . . 4.870 4.032 3.789 4.233 . 0 0 "[ . 1 . 2]" 1
153 1 15 ARG HA 1 59 LEU QD . . 3.930 2.776 2.193 3.715 . 0 0 "[ . 1 . 2]" 1
154 1 15 ARG HA 1 89 ILE MD . . 5.020 3.568 2.838 4.271 . 0 0 "[ . 1 . 2]" 1
155 1 15 ARG HB3 1 87 TYR H . . 4.990 3.757 2.972 5.282 0.292 15 0 "[ . 1 . 2]" 1
156 1 15 ARG HG3 1 16 ALA H . . 4.800 3.153 2.316 4.366 . 0 0 "[ . 1 . 2]" 1
157 1 15 ARG HG3 1 59 LEU QD . . 4.660 2.599 2.051 4.289 . 0 0 "[ . 1 . 2]" 1
158 1 16 ALA H 1 16 ALA MB . . 3.350 2.411 2.202 2.668 . 0 0 "[ . 1 . 2]" 1
159 1 16 ALA H 1 17 GLN H . . 4.870 4.356 3.736 4.588 . 0 0 "[ . 1 . 2]" 1
160 1 16 ALA H 1 59 LEU QD . . 4.400 3.933 3.395 4.474 0.074 19 0 "[ . 1 . 2]" 1
161 1 16 ALA H 1 60 ILE MD . . 5.500 4.320 3.479 5.001 . 0 0 "[ . 1 . 2]" 1
162 1 16 ALA HA 1 17 GLN H . . 3.120 2.315 2.146 2.536 . 0 0 "[ . 1 . 2]" 1
163 1 16 ALA HA 1 84 VAL QG . . 4.310 3.982 3.381 4.360 0.050 1 0 "[ . 1 . 2]" 1
164 1 16 ALA HA 1 86 VAL HA . . 3.620 2.642 2.124 3.564 . 0 0 "[ . 1 . 2]" 1
165 1 16 ALA HA 1 86 VAL QG . . 4.230 3.148 2.450 3.888 . 0 0 "[ . 1 . 2]" 1
166 1 16 ALA HA 1 87 TYR H . . 4.440 3.970 3.451 4.481 0.041 5 0 "[ . 1 . 2]" 1
167 1 16 ALA MB 1 17 GLN H . . 3.630 2.904 2.282 3.618 . 0 0 "[ . 1 . 2]" 1
168 1 16 ALA MB 1 19 LEU MD2 . . 4.030 3.304 2.189 4.104 0.074 8 0 "[ . 1 . 2]" 1
169 1 16 ALA MB 1 58 ALA H . . 4.020 3.373 2.893 3.957 . 0 0 "[ . 1 . 2]" 1
170 1 16 ALA MB 1 58 ALA HA . . 5.500 5.186 4.548 5.586 0.086 7 0 "[ . 1 . 2]" 1
171 1 16 ALA MB 1 58 ALA MB . . 3.850 2.952 2.373 3.401 . 0 0 "[ . 1 . 2]" 1
172 1 16 ALA MB 1 60 ILE MD . . 3.580 3.210 2.690 3.708 0.128 14 0 "[ . 1 . 2]" 1
173 1 16 ALA MB 1 86 VAL HA . . 4.390 4.017 3.655 4.465 0.075 17 0 "[ . 1 . 2]" 1
174 1 16 ALA MB 1 86 VAL QG . . 4.050 3.230 2.347 3.839 . 0 0 "[ . 1 . 2]" 1
175 1 17 GLN H 1 17 GLN HB3 . . 4.130 3.672 2.770 3.929 . 0 0 "[ . 1 . 2]" 1
176 1 17 GLN H 1 17 GLN HG3 . . 4.600 3.359 2.430 4.445 . 0 0 "[ . 1 . 2]" 1
177 1 17 GLN H 1 84 VAL HA . . 4.790 4.409 3.161 4.862 0.072 15 0 "[ . 1 . 2]" 1
178 1 17 GLN H 1 84 VAL QG . . 4.040 3.416 2.982 4.093 0.053 12 0 "[ . 1 . 2]" 1
179 1 17 GLN H 1 86 VAL HA . . 5.260 3.793 2.936 5.077 . 0 0 "[ . 1 . 2]" 1
180 1 17 GLN H 1 86 VAL QG . . 5.160 4.343 3.273 4.961 . 0 0 "[ . 1 . 2]" 1
181 1 17 GLN HA 1 18 GLY H . . 3.180 2.449 2.192 2.723 . 0 0 "[ . 1 . 2]" 1
182 1 17 GLN HA 1 18 GLY HA3 . . 4.950 4.612 4.501 4.786 . 0 0 "[ . 1 . 2]" 1
183 1 17 GLN HA 1 19 LEU H . . 4.570 3.709 3.052 4.608 0.038 8 0 "[ . 1 . 2]" 1
184 1 17 GLN HA 1 19 LEU HG . . 5.070 3.650 2.880 4.529 . 0 0 "[ . 1 . 2]" 1
185 1 17 GLN HA 1 57 ASP H . . 5.430 4.693 4.516 4.895 . 0 0 "[ . 1 . 2]" 1
186 1 17 GLN HA 1 57 ASP HA . . 3.530 2.325 2.039 2.726 . 0 0 "[ . 1 . 2]" 1
187 1 17 GLN HA 1 57 ASP HB3 . . 4.220 2.962 2.102 4.321 0.101 12 0 "[ . 1 . 2]" 1
188 1 17 GLN HA 1 58 ALA H . . 4.260 3.896 3.391 4.333 0.073 15 0 "[ . 1 . 2]" 1
189 1 17 GLN HB3 1 17 GLN HE22 . . 4.490 4.335 3.684 4.761 0.271 11 0 "[ . 1 . 2]" 1
190 1 17 GLN HB3 1 18 GLY H . . 4.740 2.691 2.001 4.675 . 0 0 "[ . 1 . 2]" 1
191 1 17 GLN HG3 1 18 GLY H . . 4.910 4.659 3.110 5.074 0.164 5 0 "[ . 1 . 2]" 1
192 1 18 GLY H 1 19 LEU HG . . 5.000 3.956 2.919 5.033 0.033 14 0 "[ . 1 . 2]" 1
193 1 18 GLY H 1 57 ASP HA . . 4.370 3.929 3.411 4.443 0.073 7 0 "[ . 1 . 2]" 1
194 1 19 LEU H 1 19 LEU HB3 . . 4.000 3.632 3.557 3.760 . 0 0 "[ . 1 . 2]" 1
195 1 19 LEU H 1 19 LEU MD1 . . 4.610 3.813 3.397 4.445 . 0 0 "[ . 1 . 2]" 1
196 1 19 LEU H 1 19 LEU MD2 . . 4.560 3.617 3.068 4.169 . 0 0 "[ . 1 . 2]" 1
197 1 19 LEU H 1 19 LEU HG . . 3.530 2.699 2.044 3.520 . 0 0 "[ . 1 . 2]" 1
198 1 19 LEU H 1 56 GLY HA2 . . 4.950 3.517 2.239 4.538 . 0 0 "[ . 1 . 2]" 1
199 1 19 LEU H 1 57 ASP HA . . 5.110 4.055 3.153 5.175 0.065 7 0 "[ . 1 . 2]" 1
200 1 19 LEU HA 1 19 LEU MD1 . . 4.450 3.820 3.710 3.899 . 0 0 "[ . 1 . 2]" 1
201 1 19 LEU HA 1 19 LEU MD2 . . 3.290 2.063 1.950 2.226 . 0 0 "[ . 1 . 2]" 1
202 1 19 LEU HA 1 19 LEU HG . . 4.230 3.021 2.531 3.281 . 0 0 "[ . 1 . 2]" 1
203 1 19 LEU HA 1 20 PRO HD3 . . 3.710 2.487 2.183 2.802 . 0 0 "[ . 1 . 2]" 1
204 1 19 LEU HB3 1 20 PRO HD3 . . 4.830 3.971 3.225 4.914 0.084 3 0 "[ . 1 . 2]" 1
205 1 19 LEU HB3 1 23 CYS HB3 . . 4.590 3.249 2.074 4.719 0.129 3 0 "[ . 1 . 2]" 1
206 1 19 LEU HB3 1 56 GLY HA2 . . 4.520 4.112 3.328 5.199 0.679 20 2 "[ . - 1 . +]" 1
207 1 19 LEU HB3 1 56 GLY HA3 . . 5.220 5.065 4.201 5.993 0.773 10 3 "[ . * + . -2]" 1
208 1 19 LEU MD1 1 23 CYS HB3 . . 5.500 3.621 2.543 4.994 . 0 0 "[ . 1 . 2]" 1
209 1 19 LEU MD1 1 57 ASP HA . . 4.310 2.891 2.179 4.118 . 0 0 "[ . 1 . 2]" 1
210 1 19 LEU MD1 1 58 ALA H . . 4.300 3.227 2.727 4.231 . 0 0 "[ . 1 . 2]" 1
211 1 19 LEU MD2 1 20 PRO HA . . 5.500 5.571 5.433 5.616 0.116 2 0 "[ . 1 . 2]" 1
212 1 19 LEU MD2 1 20 PRO HD3 . . 4.200 3.440 2.723 4.271 0.071 3 0 "[ . 1 . 2]" 1
213 1 19 LEU MD2 1 23 CYS HB3 . . 5.190 3.484 2.396 4.562 . 0 0 "[ . 1 . 2]" 1
214 1 19 LEU MD2 1 57 ASP HA . . 5.500 4.661 3.884 5.578 0.078 7 0 "[ . 1 . 2]" 1
215 1 20 PRO HA 1 21 TRP H . . 3.020 2.507 2.331 2.695 . 0 0 "[ . 1 . 2]" 1
216 1 21 TRP H 1 22 SER H . . 4.210 2.882 2.436 4.311 0.101 2 0 "[ . 1 . 2]" 1
217 1 21 TRP H 1 23 CYS H . . 5.060 4.919 4.486 5.147 0.087 1 0 "[ . 1 . 2]" 1
218 1 21 TRP HA 1 21 TRP HD1 . . 3.940 3.310 2.170 4.032 0.092 16 0 "[ . 1 . 2]" 1
219 1 21 TRP HA 1 23 CYS H . . 4.490 4.176 3.635 4.529 0.039 10 0 "[ . 1 . 2]" 1
220 1 22 SER H 1 23 CYS H . . 3.450 3.276 2.610 3.539 0.089 6 0 "[ . 1 . 2]" 1
221 1 22 SER H 1 23 CYS HA . . 5.030 4.739 3.993 5.096 0.066 12 0 "[ . 1 . 2]" 1
222 1 22 SER HB3 1 23 CYS H . . 5.130 4.457 4.131 4.750 . 0 0 "[ . 1 . 2]" 1
223 1 23 CYS H 1 23 CYS HB3 . . 3.600 2.899 2.340 3.655 0.055 6 0 "[ . 1 . 2]" 1
224 1 23 CYS H 1 24 THR H . . 4.700 4.572 4.368 4.715 0.015 13 0 "[ . 1 . 2]" 1
225 1 23 CYS HA 1 24 THR H . . 3.000 2.275 2.053 2.503 . 0 0 "[ . 1 . 2]" 1
226 1 23 CYS HB3 1 24 THR H . . 4.090 3.645 2.473 4.170 0.080 4 0 "[ . 1 . 2]" 1
227 1 24 THR H 1 24 THR MG . . 3.990 3.925 3.648 4.046 0.056 11 0 "[ . 1 . 2]" 1
228 1 24 THR H 1 27 ASP H . . 4.000 3.609 3.037 4.065 0.065 9 0 "[ . 1 . 2]" 1
229 1 24 THR H 1 27 ASP HB3 . . 4.130 3.839 2.888 4.202 0.072 10 0 "[ . 1 . 2]" 1
230 1 24 THR HA 1 24 THR MG . . 2.470 2.268 2.086 2.557 0.087 16 0 "[ . 1 . 2]" 1
231 1 24 THR HA 1 25 MET H . . 2.850 2.401 2.253 2.576 . 0 0 "[ . 1 . 2]" 1
232 1 24 THR HA 1 25 MET HA . . 4.380 4.378 4.242 4.455 0.075 12 0 "[ . 1 . 2]" 1
233 1 24 THR MG 1 25 MET H . . 3.630 2.186 1.800 2.542 . 0 0 "[ . 1 . 2]" 1
234 1 24 THR MG 1 25 MET HG3 . . 5.090 5.135 4.743 5.575 0.485 7 0 "[ . 1 . 2]" 1
235 1 24 THR MG 1 26 GLU H . . 4.120 2.625 1.716 3.510 . 0 0 "[ . 1 . 2]" 1
236 1 24 THR MG 1 26 GLU HB3 . . 5.500 3.797 2.403 5.347 . 0 0 "[ . 1 . 2]" 1
237 1 24 THR MG 1 27 ASP H . . 4.470 4.031 2.935 4.574 0.104 8 0 "[ . 1 . 2]" 1
238 1 25 MET H 1 25 MET HB3 . . 3.880 3.487 3.359 3.571 . 0 0 "[ . 1 . 2]" 1
239 1 25 MET H 1 25 MET ME . . 4.200 4.193 3.697 4.306 0.106 3 0 "[ . 1 . 2]" 1
240 1 25 MET H 1 26 GLU H . . 3.410 2.806 2.403 2.961 . 0 0 "[ . 1 . 2]" 1
241 1 25 MET H 1 26 GLU HA . . 5.310 5.322 5.009 5.392 0.082 3 0 "[ . 1 . 2]" 1
242 1 25 MET H 1 27 ASP H . . 4.950 4.452 4.203 4.667 . 0 0 "[ . 1 . 2]" 1
243 1 25 MET HA 1 25 MET ME . . 3.980 4.007 3.807 4.081 0.101 9 0 "[ . 1 . 2]" 1
244 1 25 MET HA 1 25 MET HG3 . . 3.640 2.275 2.083 2.745 . 0 0 "[ . 1 . 2]" 1
245 1 25 MET HA 1 27 ASP H . . 5.210 4.327 4.066 4.492 . 0 0 "[ . 1 . 2]" 1
246 1 25 MET HA 1 28 VAL H . . 4.150 3.580 3.469 3.805 . 0 0 "[ . 1 . 2]" 1
247 1 25 MET HA 1 28 VAL HB . . 3.970 3.829 3.193 4.066 0.096 2 0 "[ . 1 . 2]" 1
248 1 25 MET HA 1 28 VAL QG . . 3.850 2.167 1.876 3.442 . 0 0 "[ . 1 . 2]" 1
249 1 25 MET HA 1 29 LEU H . . 5.000 4.119 3.819 4.643 . 0 0 "[ . 1 . 2]" 1
250 1 25 MET HA 1 44 ILE MD . . 3.950 2.711 2.401 2.997 . 0 0 "[ . 1 . 2]" 1
251 1 25 MET HA 1 44 ILE MG . . 4.680 3.070 2.694 3.953 . 0 0 "[ . 1 . 2]" 1
252 1 25 MET HB3 1 26 GLU H . . 4.070 3.470 3.019 3.766 . 0 0 "[ . 1 . 2]" 1
253 1 25 MET HB3 1 26 GLU HA . . 5.300 4.131 3.760 4.430 . 0 0 "[ . 1 . 2]" 1
254 1 25 MET HB3 1 44 ILE MD . . 4.180 3.159 2.532 4.088 . 0 0 "[ . 1 . 2]" 1
255 1 25 MET ME 1 25 MET HG3 . . 2.940 2.354 2.207 2.584 . 0 0 "[ . 1 . 2]" 1
256 1 25 MET ME 1 42 ASN HA . . 4.220 3.755 3.015 4.311 0.091 6 0 "[ . 1 . 2]" 1
257 1 25 MET ME 1 43 GLY H . . 5.280 5.012 4.412 5.378 0.098 15 0 "[ . 1 . 2]" 1
258 1 25 MET ME 1 44 ILE H . . 4.310 3.584 3.182 3.868 . 0 0 "[ . 1 . 2]" 1
259 1 25 MET ME 1 44 ILE HB . . 3.300 2.332 2.070 2.648 . 0 0 "[ . 1 . 2]" 1
260 1 25 MET ME 1 44 ILE MD . . 3.660 3.476 3.021 3.742 0.082 1 0 "[ . 1 . 2]" 1
261 1 25 MET ME 1 44 ILE MG . . 3.380 2.335 1.934 2.914 . 0 0 "[ . 1 . 2]" 1
262 1 25 MET ME 1 45 HIS HA . . 4.530 4.105 3.435 4.618 0.088 5 0 "[ . 1 . 2]" 1
263 1 25 MET ME 1 46 PHE QD . . 3.560 2.734 2.181 3.344 . 0 0 "[ . 1 . 2]" 1
264 1 25 MET HG3 1 28 VAL QG . . 5.350 3.501 3.071 4.540 . 0 0 "[ . 1 . 2]" 1
265 1 25 MET HG3 1 41 GLU HA . . 4.480 4.193 3.299 4.556 0.076 13 0 "[ . 1 . 2]" 1
266 1 25 MET HG3 1 44 ILE H . . 5.420 4.727 4.142 5.462 0.042 18 0 "[ . 1 . 2]" 1
267 1 25 MET HG3 1 44 ILE HB . . 4.940 2.739 2.261 3.629 . 0 0 "[ . 1 . 2]" 1
268 1 25 MET HG3 1 44 ILE MD . . 4.290 2.448 2.106 3.139 . 0 0 "[ . 1 . 2]" 1
269 1 25 MET HG3 1 44 ILE MG . . 4.460 2.637 2.228 3.810 . 0 0 "[ . 1 . 2]" 1
270 1 26 GLU H 1 26 GLU HB3 . . 3.100 2.762 2.375 3.185 0.085 17 0 "[ . 1 . 2]" 1
271 1 26 GLU H 1 27 ASP H . . 3.330 2.771 2.538 3.087 . 0 0 "[ . 1 . 2]" 1
272 1 26 GLU H 1 29 LEU QD . . 5.020 4.061 3.540 4.349 . 0 0 "[ . 1 . 2]" 1
273 1 26 GLU HA 1 26 GLU HG3 . . 4.190 2.686 2.236 3.355 . 0 0 "[ . 1 . 2]" 1
274 1 26 GLU HA 1 28 VAL H . . 4.590 4.268 3.606 4.647 0.057 3 0 "[ . 1 . 2]" 1
275 1 26 GLU HA 1 29 LEU HB3 . . 3.380 3.966 3.664 4.091 0.711 8 15 "[** ****+******.* - 2]" 1
276 1 26 GLU HA 1 29 LEU HG . . 4.880 3.865 2.159 4.915 0.035 1 0 "[ . 1 . 2]" 1
277 1 26 GLU HA 1 30 ASN H . . 4.500 4.001 3.715 4.245 . 0 0 "[ . 1 . 2]" 1
278 1 26 GLU HA 1 30 ASN QD . . 5.500 3.839 3.407 4.760 . 0 0 "[ . 1 . 2]" 1
279 1 26 GLU HB3 1 27 ASP H . . 3.680 2.660 2.344 3.440 . 0 0 "[ . 1 . 2]" 1
280 1 26 GLU HB3 1 30 ASN QD . . 5.500 4.050 3.089 4.833 . 0 0 "[ . 1 . 2]" 1
281 1 27 ASP H 1 27 ASP HB3 . . 3.850 3.416 2.781 3.682 . 0 0 "[ . 1 . 2]" 1
282 1 27 ASP H 1 28 VAL H . . 3.500 2.710 2.445 2.839 . 0 0 "[ . 1 . 2]" 1
283 1 27 ASP H 1 28 VAL HA . . 5.420 5.364 5.175 5.473 0.053 2 0 "[ . 1 . 2]" 1
284 1 27 ASP H 1 28 VAL QG . . 4.540 3.773 3.323 4.233 . 0 0 "[ . 1 . 2]" 1
285 1 27 ASP H 1 29 LEU H . . 5.080 4.123 3.883 4.348 . 0 0 "[ . 1 . 2]" 1
286 1 27 ASP HA 1 30 ASN H . . 4.550 3.978 3.256 4.603 0.053 8 0 "[ . 1 . 2]" 1
287 1 27 ASP HA 1 30 ASN QD . . 4.660 2.894 1.847 3.373 . 0 0 "[ . 1 . 2]" 1
288 1 27 ASP HA 1 31 PHE H . . 4.890 4.452 4.076 4.954 0.064 2 0 "[ . 1 . 2]" 1
289 1 27 ASP HA 1 79 MET ME . . 5.500 4.160 3.049 5.098 . 0 0 "[ . 1 . 2]" 1
290 1 27 ASP HB3 1 28 VAL H . . 4.270 3.324 2.305 4.305 0.035 16 0 "[ . 1 . 2]" 1
291 1 27 ASP HB3 1 28 VAL QG . . 5.500 4.047 2.933 4.838 . 0 0 "[ . 1 . 2]" 1
292 1 27 ASP HB3 1 79 MET ME . . 3.520 3.067 2.048 3.610 0.090 15 0 "[ . 1 . 2]" 1
293 1 28 VAL H 1 28 VAL HB . . 3.330 2.605 2.328 3.139 . 0 0 "[ . 1 . 2]" 1
294 1 28 VAL H 1 28 VAL QG . . 3.170 2.028 1.804 2.318 . 0 0 "[ . 1 . 2]" 1
295 1 28 VAL H 1 29 LEU H . . 3.370 2.444 1.927 2.712 . 0 0 "[ . 1 . 2]" 1
296 1 28 VAL H 1 29 LEU HA . . 5.280 5.077 4.589 5.323 0.043 3 0 "[ . 1 . 2]" 1
297 1 28 VAL H 1 29 LEU HB3 . . 5.130 5.844 5.057 6.111 0.981 18 17 "[* ***** ******- *+**]" 1
298 1 28 VAL H 1 30 ASN H . . 5.070 4.107 3.574 4.527 . 0 0 "[ . 1 . 2]" 1
299 1 28 VAL H 1 44 ILE MD . . 4.760 4.501 4.042 4.836 0.076 16 0 "[ . 1 . 2]" 1
300 1 28 VAL H 1 79 MET ME . . 4.960 4.400 3.366 4.877 . 0 0 "[ . 1 . 2]" 1
301 1 28 VAL HA 1 28 VAL QG . . 3.190 2.235 2.099 2.382 . 0 0 "[ . 1 . 2]" 1
302 1 28 VAL HA 1 30 ASN H . . 4.900 4.495 4.111 4.944 0.044 9 0 "[ . 1 . 2]" 1
303 1 28 VAL HA 1 31 PHE H . . 3.880 3.343 2.937 3.903 0.023 9 0 "[ . 1 . 2]" 1
304 1 28 VAL HA 1 31 PHE HB3 . . 4.440 2.579 2.047 3.273 . 0 0 "[ . 1 . 2]" 1
305 1 28 VAL HA 1 44 ILE MD . . 5.100 5.063 4.658 5.208 0.108 14 0 "[ . 1 . 2]" 1
306 1 28 VAL HA 1 79 MET ME . . 3.200 3.023 2.287 3.302 0.102 9 0 "[ . 1 . 2]" 1
307 1 28 VAL HB 1 29 LEU H . . 4.020 3.527 2.335 4.089 0.069 12 0 "[ . 1 . 2]" 1
308 1 28 VAL HB 1 44 ILE MG . . 4.270 4.023 3.754 4.367 0.097 3 0 "[ . 1 . 2]" 1
309 1 28 VAL HB 1 60 ILE MD . . 5.000 4.196 3.732 4.623 . 0 0 "[ . 1 . 2]" 1
310 1 28 VAL QG 1 29 LEU H . . 4.080 2.650 2.122 3.342 . 0 0 "[ . 1 . 2]" 1
311 1 28 VAL QG 1 29 LEU HA . . 4.110 3.508 3.185 4.010 . 0 0 "[ . 1 . 2]" 1
312 1 28 VAL QG 1 29 LEU QD . . 3.650 3.303 2.464 3.673 0.023 16 0 "[ . 1 . 2]" 1
313 1 28 VAL QG 1 31 PHE H . . 5.500 4.376 4.032 4.732 . 0 0 "[ . 1 . 2]" 1
314 1 28 VAL QG 1 32 PHE H . . 5.500 3.988 3.605 4.300 . 0 0 "[ . 1 . 2]" 1
315 1 28 VAL QG 1 32 PHE QD . . 3.100 2.261 1.943 3.115 0.015 20 0 "[ . 1 . 2]" 1
316 1 28 VAL QG 1 32 PHE QE . . 3.840 2.570 2.051 3.478 . 0 0 "[ . 1 . 2]" 1
317 1 28 VAL QG 1 44 ILE MD . . 4.640 2.061 1.800 2.739 . 0 0 "[ . 1 . 2]" 1
318 1 28 VAL QG 1 44 ILE HG13 . . 4.110 3.474 3.120 4.286 0.176 4 0 "[ . 1 . 2]" 1
319 1 28 VAL QG 1 44 ILE MG . . 3.870 2.360 1.974 3.237 . 0 0 "[ . 1 . 2]" 1
320 1 28 VAL QG 1 60 ILE MD . . 3.520 2.157 1.969 2.424 . 0 0 "[ . 1 . 2]" 1
321 1 29 LEU H 1 29 LEU HB3 . . 3.450 3.529 3.374 3.678 0.228 4 0 "[ . 1 . 2]" 1
322 1 29 LEU H 1 29 LEU QD . . 3.770 2.964 2.070 3.369 . 0 0 "[ . 1 . 2]" 1
323 1 29 LEU H 1 29 LEU HG . . 3.410 2.977 2.436 3.502 0.092 11 0 "[ . 1 . 2]" 1
324 1 29 LEU H 1 30 ASN H . . 3.470 2.798 2.604 3.030 . 0 0 "[ . 1 . 2]" 1
325 1 29 LEU H 1 30 ASN QD . . 5.500 4.418 3.742 5.185 . 0 0 "[ . 1 . 2]" 1
326 1 29 LEU H 1 44 ILE MD . . 4.010 3.890 3.597 4.102 0.092 16 0 "[ . 1 . 2]" 1
327 1 29 LEU HA 1 29 LEU QD . . 2.770 2.185 2.032 2.797 0.027 1 0 "[ . 1 . 2]" 1
328 1 29 LEU HA 1 29 LEU HG . . 3.590 2.897 2.172 3.663 0.073 10 0 "[ . 1 . 2]" 1
329 1 29 LEU HA 1 31 PHE H . . 5.030 4.524 4.061 4.853 . 0 0 "[ . 1 . 2]" 1
330 1 29 LEU HA 1 32 PHE H . . 4.330 3.636 3.171 4.139 . 0 0 "[ . 1 . 2]" 1
331 1 29 LEU HB3 1 30 ASN H . . 3.630 3.267 2.783 3.580 . 0 0 "[ . 1 . 2]" 1
332 1 29 LEU QD 1 30 ASN H . . 4.590 4.087 3.932 4.286 . 0 0 "[ . 1 . 2]" 1
333 1 29 LEU QD 1 40 GLY HA2 . . 4.110 3.695 3.057 4.211 0.101 20 0 "[ . 1 . 2]" 1
334 1 29 LEU QD 1 40 GLY HA3 . . 4.350 3.919 2.883 4.449 0.099 2 0 "[ . 1 . 2]" 1
335 1 29 LEU QD 1 41 GLU H . . 4.200 3.782 2.630 4.308 0.108 16 0 "[ . 1 . 2]" 1
336 1 29 LEU HG 1 30 ASN H . . 5.500 4.723 4.197 4.982 . 0 0 "[ . 1 . 2]" 1
337 1 30 ASN H 1 30 ASN HB3 . . 3.180 3.251 2.477 3.630 0.450 3 0 "[ . 1 . 2]" 1
338 1 30 ASN H 1 30 ASN QD . . 4.390 2.553 2.094 3.514 . 0 0 "[ . 1 . 2]" 1
339 1 30 ASN H 1 31 PHE H . . 3.390 2.727 2.560 2.875 . 0 0 "[ . 1 . 2]" 1
340 1 30 ASN H 1 31 PHE HA . . 5.460 5.341 5.196 5.439 . 0 0 "[ . 1 . 2]" 1
341 1 30 ASN H 1 32 PHE H . . 4.500 4.305 4.099 4.516 0.016 18 0 "[ . 1 . 2]" 1
342 1 30 ASN HA 1 30 ASN QD . . 4.540 3.719 3.132 4.347 . 0 0 "[ . 1 . 2]" 1
343 1 30 ASN HA 1 32 PHE H . . 4.650 4.438 4.043 4.720 0.070 7 0 "[ . 1 . 2]" 1
344 1 30 ASN HA 1 33 SER H . . 4.270 3.874 3.423 4.300 0.030 14 0 "[ . 1 . 2]" 1
345 1 30 ASN HA 1 33 SER HB3 . . 4.280 4.113 2.986 4.355 0.075 8 0 "[ . 1 . 2]" 1
346 1 30 ASN HB3 1 30 ASN QD . . 3.450 3.026 2.250 3.361 . 0 0 "[ . 1 . 2]" 1
347 1 30 ASN HB3 1 31 PHE H . . 3.850 3.514 3.111 3.937 0.087 2 0 "[ . 1 . 2]" 1
348 1 31 PHE H 1 31 PHE HB3 . . 3.200 2.550 2.352 2.734 . 0 0 "[ . 1 . 2]" 1
349 1 31 PHE H 1 31 PHE QD . . 4.400 4.206 4.133 4.280 . 0 0 "[ . 1 . 2]" 1
350 1 31 PHE H 1 32 PHE H . . 3.220 2.805 2.575 3.012 . 0 0 "[ . 1 . 2]" 1
351 1 31 PHE H 1 33 SER H . . 5.230 4.435 3.952 4.681 . 0 0 "[ . 1 . 2]" 1
352 1 31 PHE H 1 79 MET ME . . 4.210 3.827 3.278 4.296 0.086 4 0 "[ . 1 . 2]" 1
353 1 31 PHE HA 1 31 PHE QD . . 3.500 2.508 2.183 2.891 . 0 0 "[ . 1 . 2]" 1
354 1 31 PHE HA 1 31 PHE QE . . 4.770 4.576 4.360 4.833 0.063 11 0 "[ . 1 . 2]" 1
355 1 31 PHE HA 1 79 MET ME . . 4.270 4.106 3.409 4.352 0.082 4 0 "[ . 1 . 2]" 1
356 1 31 PHE HB3 1 79 MET ME . . 3.370 3.036 2.293 3.467 0.097 16 0 "[ . 1 . 2]" 1
357 1 31 PHE QD 1 32 PHE H . . 4.610 3.923 3.374 4.486 . 0 0 "[ . 1 . 2]" 1
358 1 31 PHE QD 1 32 PHE QD . . 4.180 3.352 3.063 3.659 . 0 0 "[ . 1 . 2]" 1
359 1 31 PHE QD 1 79 MET ME . . 3.880 2.917 2.234 3.712 . 0 0 "[ . 1 . 2]" 1
360 1 31 PHE QD 1 79 MET HG3 . . 4.910 3.819 2.134 5.113 0.203 2 0 "[ . 1 . 2]" 1
361 1 31 PHE QD 1 84 VAL QG . . 5.140 3.472 2.964 3.965 . 0 0 "[ . 1 . 2]" 1
362 1 31 PHE QE 1 74 LYS HB3 . . 4.910 3.580 2.794 5.390 0.480 2 0 "[ . 1 . 2]" 1
363 1 31 PHE QE 1 74 LYS HG3 . . 5.500 4.122 3.233 5.121 . 0 0 "[ . 1 . 2]" 1
364 1 31 PHE QE 1 77 MET ME . . 4.590 3.939 1.916 4.718 0.128 1 0 "[ . 1 . 2]" 1
365 1 31 PHE QE 1 78 TYR H . . 5.400 4.530 3.156 5.488 0.088 8 0 "[ . 1 . 2]" 1
366 1 31 PHE QE 1 79 MET H . . 5.500 4.528 4.044 5.180 . 0 0 "[ . 1 . 2]" 1
367 1 31 PHE QE 1 79 MET ME . . 5.010 3.924 3.214 4.912 . 0 0 "[ . 1 . 2]" 1
368 1 31 PHE QE 1 84 VAL HB . . 4.070 4.022 3.354 4.173 0.103 18 0 "[ . 1 . 2]" 1
369 1 31 PHE QE 1 84 VAL QG . . 3.880 2.405 2.009 3.252 . 0 0 "[ . 1 . 2]" 1
370 1 31 PHE QE 1 86 VAL QG . . 4.690 2.765 2.143 3.862 . 0 0 "[ . 1 . 2]" 1
371 1 31 PHE HZ 1 77 MET ME . . 5.500 4.747 2.660 5.608 0.108 4 0 "[ . 1 . 2]" 1
372 1 31 PHE HZ 1 84 VAL HB . . 3.980 3.780 2.900 4.066 0.086 16 0 "[ . 1 . 2]" 1
373 1 31 PHE HZ 1 84 VAL QG . . 4.170 2.409 1.914 3.920 . 0 0 "[ . 1 . 2]" 1
374 1 31 PHE HZ 1 86 VAL QG . . 3.530 3.392 3.053 3.584 0.054 1 0 "[ . 1 . 2]" 1
375 1 32 PHE H 1 32 PHE HB3 . . 3.200 3.675 3.590 3.822 0.622 18 5 "[ .- 1 * .* + *]" 1
376 1 32 PHE H 1 32 PHE QD . . 3.890 3.416 2.809 3.791 . 0 0 "[ . 1 . 2]" 1
377 1 32 PHE H 1 33 SER H . . 3.650 2.927 2.557 3.292 . 0 0 "[ . 1 . 2]" 1
378 1 32 PHE H 1 37 ILE MD . . 4.790 4.456 3.937 4.889 0.099 19 0 "[ . 1 . 2]" 1
379 1 32 PHE H 1 79 MET ME . . 5.500 5.184 4.486 5.570 0.070 18 0 "[ . 1 . 2]" 1
380 1 32 PHE HA 1 32 PHE QD . . 3.090 2.364 2.081 3.160 0.070 18 0 "[ . 1 . 2]" 1
381 1 32 PHE HB3 1 33 SER H . . 4.280 4.471 4.361 4.546 0.266 9 0 "[ . 1 . 2]" 1
382 1 32 PHE HB3 1 37 ILE MD . . 3.630 3.385 2.381 3.977 0.347 20 0 "[ . 1 . 2]" 1
383 1 32 PHE HB3 1 62 MET ME . . 5.010 3.642 2.817 4.123 . 0 0 "[ . 1 . 2]" 1
384 1 32 PHE QD 1 35 CYS HB3 . . 5.460 4.513 3.666 5.391 . 0 0 "[ . 1 . 2]" 1
385 1 32 PHE QD 1 37 ILE MD . . 4.150 2.943 2.271 3.683 . 0 0 "[ . 1 . 2]" 1
386 1 32 PHE QD 1 60 ILE MD . . 4.250 3.953 2.885 4.352 0.102 10 0 "[ . 1 . 2]" 1
387 1 32 PHE QD 1 60 ILE MG . . 5.360 3.597 2.942 4.396 . 0 0 "[ . 1 . 2]" 1
388 1 32 PHE QD 1 62 MET ME . . 3.740 3.725 3.357 3.869 0.129 12 0 "[ . 1 . 2]" 1
389 1 32 PHE QD 1 71 ALA HA . . 3.070 2.710 2.249 3.143 0.073 11 0 "[ . 1 . 2]" 1
390 1 32 PHE QD 1 71 ALA MB . . 3.830 2.944 2.230 3.897 0.067 11 0 "[ . 1 . 2]" 1
391 1 32 PHE QD 1 74 LYS HG3 . . 4.840 3.393 2.232 4.747 . 0 0 "[ . 1 . 2]" 1
392 1 32 PHE QE 1 60 ILE MD . . 3.590 3.437 2.532 3.702 0.112 1 0 "[ . 1 . 2]" 1
393 1 32 PHE QE 1 60 ILE MG . . 5.500 3.577 2.620 4.278 . 0 0 "[ . 1 . 2]" 1
394 1 32 PHE QE 1 62 MET ME . . 4.290 4.190 3.448 4.404 0.114 13 0 "[ . 1 . 2]" 1
395 1 32 PHE QE 1 71 ALA HA . . 3.440 3.063 2.699 3.520 0.080 6 0 "[ . 1 . 2]" 1
396 1 32 PHE QE 1 71 ALA MB . . 3.240 2.517 2.059 3.285 0.045 11 0 "[ . 1 . 2]" 1
397 1 32 PHE QE 1 74 LYS HB3 . . 5.350 4.635 3.689 6.164 0.814 2 3 "[ + - * 1 . 2]" 1
398 1 32 PHE QE 1 86 VAL QG . . 3.790 2.518 2.161 3.509 . 0 0 "[ . 1 . 2]" 1
399 1 33 SER H 1 33 SER HA . . 2.930 2.779 2.659 2.887 . 0 0 "[ . 1 . 2]" 1
400 1 33 SER H 1 33 SER HB3 . . 3.490 2.422 2.022 3.508 0.018 15 0 "[ . 1 . 2]" 1
401 1 33 SER H 1 34 ASP H . . 3.530 2.902 2.608 3.208 . 0 0 "[ . 1 . 2]" 1
402 1 33 SER H 1 35 CYS H . . 4.900 4.600 4.204 4.976 0.076 6 0 "[ . 1 . 2]" 1
403 1 33 SER HA 1 34 ASP H . . 3.460 3.455 3.108 3.535 0.075 1 0 "[ . 1 . 2]" 1
404 1 33 SER HA 1 35 CYS H . . 4.100 3.817 3.563 4.136 0.036 6 0 "[ . 1 . 2]" 1
405 1 33 SER HB3 1 34 ASP H . . 4.400 3.321 2.690 4.287 . 0 0 "[ . 1 . 2]" 1
406 1 34 ASP H 1 35 CYS H . . 2.940 2.761 2.341 3.016 0.076 5 0 "[ . 1 . 2]" 1
407 1 35 CYS H 1 35 CYS HB3 . . 4.060 3.462 2.624 3.928 . 0 0 "[ . 1 . 2]" 1
408 1 35 CYS H 1 37 ILE MD . . 5.500 5.197 4.273 5.601 0.101 4 0 "[ . 1 . 2]" 1
409 1 35 CYS HA 1 36 ARG H . . 2.940 2.638 2.170 2.896 . 0 0 "[ . 1 . 2]" 1
410 1 35 CYS HA 1 62 MET ME . . 5.040 4.904 4.499 5.129 0.089 3 0 "[ . 1 . 2]" 1
411 1 35 CYS HB3 1 36 ARG H . . 3.590 2.927 2.005 3.854 0.264 14 0 "[ . 1 . 2]" 1
412 1 35 CYS HB3 1 37 ILE MD . . 5.310 4.948 3.834 5.386 0.076 3 0 "[ . 1 . 2]" 1
413 1 35 CYS HB3 1 62 MET ME . . 3.040 3.186 2.444 3.713 0.673 2 5 "[ + . 1 * -* *]" 1
414 1 35 CYS HB3 1 71 ALA H . . 5.190 4.256 3.517 5.161 . 0 0 "[ . 1 . 2]" 1
415 1 35 CYS HB3 1 71 ALA MB . . 4.990 3.375 2.680 4.406 . 0 0 "[ . 1 . 2]" 1
416 1 36 ARG H 1 36 ARG HB3 . . 3.490 3.085 2.540 3.542 0.052 15 0 "[ . 1 . 2]" 1
417 1 36 ARG H 1 37 ILE H . . 4.180 3.846 3.439 4.247 0.067 17 0 "[ . 1 . 2]" 1
418 1 36 ARG H 1 37 ILE MD . . 5.500 5.285 4.612 5.592 0.092 17 0 "[ . 1 . 2]" 1
419 1 36 ARG HA 1 37 ILE H . . 2.830 2.147 2.044 2.251 . 0 0 "[ . 1 . 2]" 1
420 1 36 ARG HA 1 37 ILE MD . . 5.500 4.854 4.340 5.372 . 0 0 "[ . 1 . 2]" 1
421 1 36 ARG HB3 1 37 ILE H . . 4.240 4.261 3.954 4.482 0.242 18 0 "[ . 1 . 2]" 1
422 1 37 ILE H 1 37 ILE HB . . 3.010 2.352 2.168 2.697 . 0 0 "[ . 1 . 2]" 1
423 1 37 ILE H 1 37 ILE MD . . 3.810 3.399 2.876 3.864 0.054 7 0 "[ . 1 . 2]" 1
424 1 37 ILE H 1 37 ILE HG13 . . 4.090 2.566 2.041 2.885 . 0 0 "[ . 1 . 2]" 1
425 1 37 ILE H 1 37 ILE MG . . 3.820 3.753 3.631 3.838 0.018 8 0 "[ . 1 . 2]" 1
426 1 37 ILE H 1 62 MET HA . . 5.210 4.894 4.636 5.068 . 0 0 "[ . 1 . 2]" 1
427 1 37 ILE HA 1 37 ILE MD . . 3.750 3.800 3.711 3.868 0.118 8 0 "[ . 1 . 2]" 1
428 1 37 ILE HA 1 37 ILE HG13 . . 3.540 2.713 2.367 3.156 . 0 0 "[ . 1 . 2]" 1
429 1 37 ILE HA 1 37 ILE MG . . 3.230 2.541 2.245 2.680 . 0 0 "[ . 1 . 2]" 1
430 1 37 ILE HA 1 38 ARG H . . 3.170 2.232 2.109 2.352 . 0 0 "[ . 1 . 2]" 1
431 1 37 ILE HA 1 38 ARG HA . . 4.330 4.354 4.277 4.410 0.080 8 0 "[ . 1 . 2]" 1
432 1 37 ILE HA 1 60 ILE MG . . 4.370 3.904 3.505 4.461 0.091 12 0 "[ . 1 . 2]" 1
433 1 37 ILE HA 1 62 MET HA . . 3.430 2.202 2.028 2.349 . 0 0 "[ . 1 . 2]" 1
434 1 37 ILE HA 1 62 MET ME . . 4.300 3.627 2.391 4.325 0.025 4 0 "[ . 1 . 2]" 1
435 1 37 ILE HA 1 63 GLU H . . 4.320 3.351 2.821 3.961 . 0 0 "[ . 1 . 2]" 1
436 1 37 ILE HB 1 38 ARG H . . 4.930 4.093 3.761 4.254 . 0 0 "[ . 1 . 2]" 1
437 1 37 ILE HB 1 40 GLY H . . 4.270 3.840 3.323 4.212 . 0 0 "[ . 1 . 2]" 1
438 1 37 ILE HB 1 40 GLY HA2 . . 4.510 3.087 2.142 3.475 . 0 0 "[ . 1 . 2]" 1
439 1 37 ILE HB 1 40 GLY HA3 . . 4.810 4.670 3.885 4.888 0.078 12 0 "[ . 1 . 2]" 1
440 1 37 ILE MD 1 60 ILE MG . . 3.210 2.776 1.960 3.335 0.125 6 0 "[ . 1 . 2]" 1
441 1 37 ILE MD 1 61 GLU H . . 5.500 5.399 4.989 5.600 0.100 16 0 "[ . 1 . 2]" 1
442 1 37 ILE MD 1 62 MET HA . . 5.200 5.100 4.237 5.316 0.116 6 0 "[ . 1 . 2]" 1
443 1 37 ILE HG13 1 38 ARG H . . 4.650 4.755 4.317 5.121 0.471 13 0 "[ . 1 . 2]" 1
444 1 37 ILE HG13 1 60 ILE MG . . 4.300 3.786 3.153 4.518 0.218 13 0 "[ . 1 . 2]" 1
445 1 37 ILE HG13 1 62 MET HA . . 5.120 4.307 3.436 5.159 0.039 13 0 "[ . 1 . 2]" 1
446 1 37 ILE MG 1 38 ARG H . . 3.490 2.442 2.106 2.661 . 0 0 "[ . 1 . 2]" 1
447 1 37 ILE MG 1 39 ASN H . . 5.500 4.716 4.341 5.077 . 0 0 "[ . 1 . 2]" 1
448 1 37 ILE MG 1 40 GLY H . . 3.790 3.111 2.617 3.875 0.085 13 0 "[ . 1 . 2]" 1
449 1 37 ILE MG 1 40 GLY HA2 . . 4.460 3.507 2.924 4.378 . 0 0 "[ . 1 . 2]" 1
450 1 37 ILE MG 1 43 GLY H . . 3.990 2.985 2.574 3.662 . 0 0 "[ . 1 . 2]" 1
451 1 37 ILE MG 1 43 GLY HA2 . . 4.320 4.168 3.638 4.420 0.100 6 0 "[ . 1 . 2]" 1
452 1 37 ILE MG 1 43 GLY HA3 . . 3.710 2.748 2.162 3.098 . 0 0 "[ . 1 . 2]" 1
453 1 37 ILE MG 1 44 ILE H . . 4.330 3.622 3.220 4.073 . 0 0 "[ . 1 . 2]" 1
454 1 37 ILE MG 1 44 ILE MG . . 5.500 4.934 4.545 5.265 . 0 0 "[ . 1 . 2]" 1
455 1 37 ILE MG 1 60 ILE MG . . 3.400 2.679 2.027 3.496 0.096 1 0 "[ . 1 . 2]" 1
456 1 37 ILE MG 1 61 GLU H . . 4.180 3.410 3.062 4.039 . 0 0 "[ . 1 . 2]" 1
457 1 37 ILE MG 1 61 GLU HB3 . . 4.840 4.791 4.332 4.934 0.094 4 0 "[ . 1 . 2]" 1
458 1 37 ILE MG 1 62 MET HA . . 4.660 3.624 2.888 4.067 . 0 0 "[ . 1 . 2]" 1
459 1 38 ARG H 1 38 ARG HB3 . . 3.580 2.554 2.374 2.713 . 0 0 "[ . 1 . 2]" 1
460 1 38 ARG H 1 39 ASN H . . 4.830 4.542 4.431 4.613 . 0 0 "[ . 1 . 2]" 1
461 1 38 ARG H 1 60 ILE MG . . 5.500 4.472 4.008 5.176 . 0 0 "[ . 1 . 2]" 1
462 1 38 ARG H 1 61 GLU HB3 . . 5.500 4.154 3.549 4.729 . 0 0 "[ . 1 . 2]" 1
463 1 38 ARG H 1 62 MET HA . . 3.670 2.709 2.405 3.203 . 0 0 "[ . 1 . 2]" 1
464 1 38 ARG H 1 63 GLU H . . 4.120 3.744 3.534 4.149 0.029 4 0 "[ . 1 . 2]" 1
465 1 38 ARG H 1 63 GLU HA . . 5.020 4.441 4.117 4.887 . 0 0 "[ . 1 . 2]" 1
466 1 38 ARG H 1 63 GLU HG3 . . 4.720 3.785 3.211 4.384 . 0 0 "[ . 1 . 2]" 1
467 1 38 ARG HA 1 39 ASN H . . 2.950 2.158 2.072 2.261 . 0 0 "[ . 1 . 2]" 1
468 1 38 ARG HA 1 40 GLY H . . 4.200 3.524 3.233 4.280 0.080 12 0 "[ . 1 . 2]" 1
469 1 38 ARG HA 1 63 GLU HA . . 4.710 4.077 3.467 4.524 . 0 0 "[ . 1 . 2]" 1
470 1 38 ARG HA 1 63 GLU HG3 . . 3.940 2.661 2.101 3.459 . 0 0 "[ . 1 . 2]" 1
471 1 38 ARG HB3 1 39 ASN H . . 5.080 4.101 3.935 4.340 . 0 0 "[ . 1 . 2]" 1
472 1 38 ARG HB3 1 61 GLU H . . 5.500 4.794 4.296 5.573 0.073 6 0 "[ . 1 . 2]" 1
473 1 38 ARG HB3 1 61 GLU HB3 . . 4.200 2.722 2.196 3.765 . 0 0 "[ . 1 . 2]" 1
474 1 38 ARG HB3 1 62 MET HA . . 5.150 4.641 4.283 5.151 0.001 6 0 "[ . 1 . 2]" 1
475 1 38 ARG HB3 1 63 GLU HA . . 4.600 4.565 4.303 4.678 0.078 10 0 "[ . 1 . 2]" 1
476 1 39 ASN H 1 39 ASN HA . . 2.880 2.234 2.171 2.306 . 0 0 "[ . 1 . 2]" 1
477 1 39 ASN H 1 40 GLY H . . 3.590 2.869 2.678 3.647 0.057 5 0 "[ . 1 . 2]" 1
478 1 39 ASN H 1 40 GLY HA2 . . 4.950 4.918 4.795 5.015 0.065 5 0 "[ . 1 . 2]" 1
479 1 39 ASN H 1 63 GLU HG3 . . 4.960 4.426 3.711 4.985 0.025 3 0 "[ . 1 . 2]" 1
480 1 39 ASN HA 1 39 ASN HD22 . . 5.150 4.670 3.385 4.973 . 0 0 "[ . 1 . 2]" 1
481 1 39 ASN HA 1 40 GLY H . . 3.470 3.215 2.981 3.541 0.071 12 0 "[ . 1 . 2]" 1
482 1 39 ASN HA 1 40 GLY HA2 . . 5.210 4.935 4.693 5.179 . 0 0 "[ . 1 . 2]" 1
483 1 39 ASN HA 1 42 ASN HB3 . . 5.500 4.699 4.426 5.719 0.219 12 0 "[ . 1 . 2]" 1
484 1 39 ASN HB3 1 39 ASN HD21 . . 3.560 3.360 2.981 3.615 0.055 5 0 "[ . 1 . 2]" 1
485 1 39 ASN HB3 1 39 ASN HD22 . . 4.010 3.995 3.808 4.090 0.080 3 0 "[ . 1 . 2]" 1
486 1 39 ASN HB3 1 42 ASN H . . 5.220 3.563 3.109 4.211 . 0 0 "[ . 1 . 2]" 1
487 1 39 ASN HB3 1 42 ASN HB3 . . 2.410 2.482 2.222 3.529 1.119 12 2 "[ - 1 + . 2]" 1
488 1 40 GLY H 1 41 GLU H . . 3.950 3.768 3.185 4.042 0.092 9 0 "[ . 1 . 2]" 1
489 1 40 GLY H 1 42 ASN H . . 5.280 4.116 3.074 4.522 . 0 0 "[ . 1 . 2]" 1
490 1 40 GLY HA2 1 42 ASN H . . 4.710 4.677 3.695 4.805 0.095 17 0 "[ . 1 . 2]" 1
491 1 40 GLY HA3 1 41 GLU H . . 2.850 2.488 2.048 3.359 0.509 6 1 "[ .+ 1 . 2]" 1
492 1 40 GLY HA3 1 42 ASN H . . 5.010 3.993 3.794 4.273 . 0 0 "[ . 1 . 2]" 1
493 1 41 GLU H 1 42 ASN H . . 3.330 2.041 1.617 3.197 . 0 0 "[ . 1 . 2]" 1
494 1 41 GLU H 1 43 GLY H . . 4.660 3.962 3.656 4.381 . 0 0 "[ . 1 . 2]" 1
495 1 41 GLU H 1 44 ILE H . . 5.450 5.484 5.350 5.527 0.077 4 0 "[ . 1 . 2]" 1
496 1 41 GLU H 1 44 ILE MD . . 5.500 4.544 3.707 4.908 . 0 0 "[ . 1 . 2]" 1
497 1 41 GLU HA 1 43 GLY H . . 4.080 3.670 3.414 3.997 . 0 0 "[ . 1 . 2]" 1
498 1 41 GLU HA 1 44 ILE H . . 4.460 3.881 3.648 4.192 . 0 0 "[ . 1 . 2]" 1
499 1 41 GLU HA 1 44 ILE MD . . 3.150 2.151 2.002 2.471 . 0 0 "[ . 1 . 2]" 1
500 1 41 GLU HA 1 44 ILE HG13 . . 4.340 4.013 2.379 4.425 0.085 8 0 "[ . 1 . 2]" 1
501 1 41 GLU HA 1 44 ILE MG . . 5.030 5.001 4.617 5.136 0.106 1 0 "[ . 1 . 2]" 1
502 1 42 ASN H 1 42 ASN HB3 . . 3.270 3.075 2.808 3.348 0.078 4 0 "[ . 1 . 2]" 1
503 1 42 ASN H 1 42 ASN HD22 . . 5.210 5.207 4.529 5.306 0.096 19 0 "[ . 1 . 2]" 1
504 1 42 ASN H 1 43 GLY H . . 3.110 2.625 2.163 2.857 . 0 0 "[ . 1 . 2]" 1
505 1 42 ASN H 1 43 GLY HA2 . . 5.270 5.191 4.858 5.342 0.072 6 0 "[ . 1 . 2]" 1
506 1 42 ASN H 1 43 GLY HA3 . . 4.850 4.796 4.289 4.925 0.075 9 0 "[ . 1 . 2]" 1
507 1 42 ASN H 1 44 ILE H . . 4.810 4.351 4.007 4.567 . 0 0 "[ . 1 . 2]" 1
508 1 42 ASN H 1 44 ILE MD . . 4.830 4.682 4.289 4.940 0.110 19 0 "[ . 1 . 2]" 1
509 1 42 ASN HA 1 42 ASN HD21 . . 4.830 2.547 2.001 3.825 . 0 0 "[ . 1 . 2]" 1
510 1 42 ASN HA 1 44 ILE H . . 3.970 3.713 3.335 4.016 0.046 14 0 "[ . 1 . 2]" 1
511 1 42 ASN HB3 1 42 ASN HD21 . . 3.620 3.545 2.611 3.674 0.054 6 0 "[ . 1 . 2]" 1
512 1 42 ASN HB3 1 43 GLY H . . 3.920 3.661 2.957 3.994 0.074 13 0 "[ . 1 . 2]" 1
513 1 42 ASN HB3 1 43 GLY HA3 . . 5.210 4.940 4.420 5.228 0.018 19 0 "[ . 1 . 2]" 1
514 1 42 ASN HD21 1 43 GLY H . . 5.500 5.318 4.577 5.574 0.074 3 0 "[ . 1 . 2]" 1
515 1 43 GLY H 1 44 ILE H . . 3.160 2.367 1.926 2.688 . 0 0 "[ . 1 . 2]" 1
516 1 43 GLY H 1 44 ILE HB . . 4.960 4.375 3.871 4.907 . 0 0 "[ . 1 . 2]" 1
517 1 43 GLY H 1 44 ILE MD . . 5.320 3.891 3.327 4.536 . 0 0 "[ . 1 . 2]" 1
518 1 43 GLY H 1 44 ILE HG13 . . 4.870 4.185 2.949 4.854 . 0 0 "[ . 1 . 2]" 1
519 1 43 GLY HA2 1 44 ILE HA . . 4.910 4.779 4.710 4.874 . 0 0 "[ . 1 . 2]" 1
520 1 43 GLY HA2 1 61 GLU H . . 4.800 3.757 3.167 4.404 . 0 0 "[ . 1 . 2]" 1
521 1 43 GLY HA2 1 61 GLU HG3 . . 4.660 2.924 2.134 3.944 . 0 0 "[ . 1 . 2]" 1
522 1 43 GLY HA3 1 61 GLU H . . 4.960 3.100 2.728 3.486 . 0 0 "[ . 1 . 2]" 1
523 1 43 GLY HA3 1 61 GLU HG3 . . 5.320 3.505 2.850 4.256 . 0 0 "[ . 1 . 2]" 1
524 1 44 ILE H 1 44 ILE HB . . 3.230 2.292 2.167 2.489 . 0 0 "[ . 1 . 2]" 1
525 1 44 ILE H 1 44 ILE MD . . 3.970 3.011 2.401 3.981 0.011 4 0 "[ . 1 . 2]" 1
526 1 44 ILE H 1 44 ILE HG13 . . 3.900 2.764 2.096 2.977 . 0 0 "[ . 1 . 2]" 1
527 1 44 ILE H 1 44 ILE MG . . 4.500 3.727 3.669 3.840 . 0 0 "[ . 1 . 2]" 1
528 1 44 ILE H 1 45 HIS H . . 4.620 4.431 4.005 4.619 . 0 0 "[ . 1 . 2]" 1
529 1 44 ILE H 1 60 ILE MG . . 4.980 4.781 4.128 5.080 0.100 1 0 "[ . 1 . 2]" 1
530 1 44 ILE H 1 61 GLU H . . 4.440 4.518 4.495 4.534 0.094 14 0 "[ . 1 . 2]" 1
531 1 44 ILE HA 1 44 ILE MD . . 4.520 3.753 3.616 3.882 . 0 0 "[ . 1 . 2]" 1
532 1 44 ILE HA 1 44 ILE HG13 . . 4.040 2.542 2.292 3.127 . 0 0 "[ . 1 . 2]" 1
533 1 44 ILE HA 1 44 ILE MG . . 3.400 2.570 2.472 2.696 . 0 0 "[ . 1 . 2]" 1
534 1 44 ILE HA 1 45 HIS H . . 3.050 2.191 2.097 2.264 . 0 0 "[ . 1 . 2]" 1
535 1 44 ILE HA 1 58 ALA MB . . 5.070 4.196 3.648 4.651 . 0 0 "[ . 1 . 2]" 1
536 1 44 ILE HA 1 60 ILE HA . . 3.680 2.491 2.268 2.702 . 0 0 "[ . 1 . 2]" 1
537 1 44 ILE HA 1 60 ILE HB . . 5.500 5.263 5.033 5.477 . 0 0 "[ . 1 . 2]" 1
538 1 44 ILE HA 1 60 ILE MD . . 4.300 2.226 2.114 2.455 . 0 0 "[ . 1 . 2]" 1
539 1 44 ILE HA 1 60 ILE MG . . 3.980 3.583 3.012 4.002 0.022 15 0 "[ . 1 . 2]" 1
540 1 44 ILE HA 1 61 GLU H . . 4.470 3.626 3.311 3.898 . 0 0 "[ . 1 . 2]" 1
541 1 44 ILE HB 1 44 ILE MD . . 3.440 2.315 2.218 2.624 . 0 0 "[ . 1 . 2]" 1
542 1 44 ILE HB 1 45 HIS H . . 4.890 4.389 4.223 4.572 . 0 0 "[ . 1 . 2]" 1
543 1 44 ILE MD 1 44 ILE MG . . 3.340 2.433 2.028 2.875 . 0 0 "[ . 1 . 2]" 1
544 1 44 ILE MD 1 60 ILE HA . . 4.750 4.844 4.637 4.869 0.119 12 0 "[ . 1 . 2]" 1
545 1 44 ILE MD 1 60 ILE MD . . 3.520 3.152 2.503 3.459 . 0 0 "[ . 1 . 2]" 1
546 1 44 ILE HG13 1 45 HIS H . . 4.860 4.664 4.384 5.223 0.363 6 0 "[ . 1 . 2]" 1
547 1 44 ILE HG13 1 61 GLU H . . 5.210 4.289 3.831 4.796 . 0 0 "[ . 1 . 2]" 1
548 1 44 ILE MG 1 45 HIS H . . 3.810 3.042 2.594 3.689 . 0 0 "[ . 1 . 2]" 1
549 1 44 ILE MG 1 45 HIS HA . . 5.020 3.814 3.333 4.402 . 0 0 "[ . 1 . 2]" 1
550 1 44 ILE MG 1 46 PHE H . . 5.250 3.995 2.600 4.924 . 0 0 "[ . 1 . 2]" 1
551 1 44 ILE MG 1 46 PHE QD . . 3.790 2.808 2.250 3.791 0.001 19 0 "[ . 1 . 2]" 1
552 1 44 ILE MG 1 58 ALA MB . . 4.310 2.694 2.205 3.237 . 0 0 "[ . 1 . 2]" 1
553 1 44 ILE MG 1 60 ILE HA . . 4.400 4.243 3.915 4.496 0.096 15 0 "[ . 1 . 2]" 1
554 1 44 ILE MG 1 60 ILE MD . . 4.080 2.385 2.019 2.967 . 0 0 "[ . 1 . 2]" 1
555 1 45 HIS H 1 58 ALA MB . . 4.400 3.517 2.997 4.510 0.110 19 0 "[ . 1 . 2]" 1
556 1 45 HIS H 1 60 ILE MD . . 4.930 3.277 2.950 3.909 . 0 0 "[ . 1 . 2]" 1
557 1 45 HIS H 1 60 ILE MG . . 5.500 5.065 4.692 5.407 . 0 0 "[ . 1 . 2]" 1
558 1 45 HIS HA 1 46 PHE H . . 2.920 2.271 2.093 2.473 . 0 0 "[ . 1 . 2]" 1
559 1 45 HIS HA 1 101 LEU QD . . 4.610 4.327 3.672 4.532 . 0 0 "[ . 1 . 2]" 1
560 1 45 HIS HB3 1 47 LEU QD . . 4.890 3.983 3.297 4.675 . 0 0 "[ . 1 . 2]" 1
561 1 45 HIS HB3 1 59 LEU H . . 4.690 3.463 3.235 4.447 . 0 0 "[ . 1 . 2]" 1
562 1 45 HIS HB3 1 59 LEU HB3 . . 4.720 3.371 2.483 4.785 0.065 5 0 "[ . 1 . 2]" 1
563 1 45 HIS HB3 1 101 LEU QD . . 3.970 3.443 2.726 3.960 . 0 0 "[ . 1 . 2]" 1
564 1 45 HIS HD2 1 47 LEU QD . . 3.650 2.532 2.043 3.781 0.131 9 0 "[ . 1 . 2]" 1
565 1 45 HIS HD2 1 59 LEU HB3 . . 5.240 4.828 2.775 5.324 0.084 1 0 "[ . 1 . 2]" 1
566 1 45 HIS HD2 1 101 LEU QD . . 5.500 3.539 1.963 4.708 . 0 0 "[ . 1 . 2]" 1
567 1 46 PHE H 1 46 PHE HB3 . . 3.870 3.106 2.227 3.778 . 0 0 "[ . 1 . 2]" 1
568 1 46 PHE H 1 46 PHE QD . . 4.030 2.725 1.921 3.935 . 0 0 "[ . 1 . 2]" 1
569 1 46 PHE H 1 47 LEU H . . 4.790 4.172 2.922 4.684 . 0 0 "[ . 1 . 2]" 1
570 1 46 PHE H 1 47 LEU QD . . 5.500 4.027 2.910 5.053 . 0 0 "[ . 1 . 2]" 1
571 1 46 PHE H 1 58 ALA HA . . 5.110 5.079 4.559 5.190 0.080 11 0 "[ . 1 . 2]" 1
572 1 46 PHE HA 1 46 PHE QD . . 3.890 3.671 2.505 3.812 . 0 0 "[ . 1 . 2]" 1
573 1 46 PHE HA 1 47 LEU H . . 3.260 2.226 1.970 2.596 . 0 0 "[ . 1 . 2]" 1
574 1 46 PHE HA 1 47 LEU HG . . 4.840 4.136 3.482 4.936 0.096 19 0 "[ . 1 . 2]" 1
575 1 46 PHE HA 1 58 ALA HA . . 3.560 2.571 2.143 2.945 . 0 0 "[ . 1 . 2]" 1
576 1 46 PHE HA 1 58 ALA MB . . 4.130 2.849 1.907 3.619 . 0 0 "[ . 1 . 2]" 1
577 1 46 PHE HA 1 59 LEU H . . 4.410 3.555 3.174 4.130 . 0 0 "[ . 1 . 2]" 1
578 1 46 PHE HB3 1 47 LEU H . . 4.610 4.207 3.706 4.600 . 0 0 "[ . 1 . 2]" 1
579 1 46 PHE HB3 1 48 LEU QD . . 5.500 4.310 2.233 5.706 0.206 7 0 "[ . 1 . 2]" 1
580 1 46 PHE QD 1 47 LEU H . . 5.210 4.390 3.430 4.992 . 0 0 "[ . 1 . 2]" 1
581 1 46 PHE QD 1 58 ALA MB . . 4.210 3.892 2.054 4.339 0.129 18 0 "[ . 1 . 2]" 1
582 1 47 LEU H 1 47 LEU QD . . 3.960 3.116 1.750 3.615 . 0 0 "[ . 1 . 2]" 1
583 1 47 LEU H 1 47 LEU HG . . 3.610 2.890 2.365 3.700 0.090 19 0 "[ . 1 . 2]" 1
584 1 47 LEU H 1 48 LEU H . . 4.950 4.013 2.673 4.690 . 0 0 "[ . 1 . 2]" 1
585 1 47 LEU H 1 58 ALA HA . . 3.800 3.524 2.695 3.880 0.080 19 0 "[ . 1 . 2]" 1
586 1 47 LEU H 1 59 LEU H . . 4.970 4.779 3.214 5.057 0.087 11 0 "[ . 1 . 2]" 1
587 1 47 LEU HA 1 47 LEU QD . . 3.030 2.286 1.992 3.146 0.116 19 0 "[ . 1 . 2]" 1
588 1 47 LEU HA 1 47 LEU HG . . 3.990 3.255 2.477 4.080 0.090 19 0 "[ . 1 . 2]" 1
589 1 47 LEU HA 1 48 LEU H . . 3.150 2.330 2.192 2.761 . 0 0 "[ . 1 . 2]" 1
590 1 47 LEU HA 1 48 LEU QD . . 5.070 4.409 3.500 4.944 . 0 0 "[ . 1 . 2]" 1
591 1 47 LEU HB3 1 47 LEU QD . . 3.180 2.152 2.105 2.253 . 0 0 "[ . 1 . 2]" 1
592 1 47 LEU HB3 1 48 LEU H . . 4.190 3.772 2.311 4.530 0.340 11 0 "[ . 1 . 2]" 1
593 1 47 LEU QD 1 48 LEU H . . 3.800 3.802 3.338 3.931 0.131 19 0 "[ . 1 . 2]" 1
594 1 48 LEU H 1 48 LEU QD . . 4.430 3.472 2.615 3.961 . 0 0 "[ . 1 . 2]" 1
595 1 48 LEU HA 1 48 LEU QD . . 3.150 2.086 1.968 2.301 . 0 0 "[ . 1 . 2]" 1
596 1 48 LEU HA 1 49 ASN H . . 3.220 2.527 2.221 2.801 . 0 0 "[ . 1 . 2]" 1
597 1 48 LEU HA 1 55 ARG H . . 4.280 4.018 3.173 4.347 0.067 11 0 "[ . 1 . 2]" 1
598 1 48 LEU HB3 1 49 ASN H . . 3.770 2.342 1.862 2.840 . 0 0 "[ . 1 . 2]" 1
599 1 48 LEU HB3 1 52 GLY H . . 4.430 3.509 3.225 3.875 . 0 0 "[ . 1 . 2]" 1
600 1 48 LEU HB3 1 52 GLY HA2 . . 4.290 2.354 2.011 2.882 . 0 0 "[ . 1 . 2]" 1
601 1 48 LEU HB3 1 52 GLY HA3 . . 4.320 3.968 3.374 4.379 0.059 15 0 "[ . 1 . 2]" 1
602 1 48 LEU HB3 1 53 LYS H . . 5.000 4.154 2.765 5.059 0.059 6 0 "[ . 1 . 2]" 1
603 1 48 LEU HB3 1 54 ARG H . . 5.190 4.372 3.144 5.283 0.093 9 0 "[ . 1 . 2]" 1
604 1 48 LEU QD 1 49 ASN H . . 4.480 3.242 2.689 3.663 . 0 0 "[ . 1 . 2]" 1
605 1 48 LEU QD 1 52 GLY H . . 4.830 4.022 3.503 4.568 . 0 0 "[ . 1 . 2]" 1
606 1 48 LEU QD 1 52 GLY HA2 . . 3.610 2.293 1.988 3.105 . 0 0 "[ . 1 . 2]" 1
607 1 48 LEU QD 1 52 GLY HA3 . . 4.270 2.949 2.288 4.128 . 0 0 "[ . 1 . 2]" 1
608 1 48 LEU QD 1 53 LYS H . . 4.730 4.125 3.664 4.454 . 0 0 "[ . 1 . 2]" 1
609 1 48 LEU QD 1 53 LYS HA . . 4.980 3.984 2.719 4.564 . 0 0 "[ . 1 . 2]" 1
610 1 48 LEU QD 1 54 ARG H . . 4.000 2.943 2.027 4.025 0.025 9 0 "[ . 1 . 2]" 1
611 1 48 LEU QD 1 54 ARG HG3 . . 4.190 3.907 3.175 4.320 0.130 20 0 "[ . 1 . 2]" 1
612 1 48 LEU QD 1 55 ARG H . . 4.290 2.273 1.619 3.181 . 0 0 "[ . 1 . 2]" 1
613 1 49 ASN H 1 49 ASN HB3 . . 3.810 2.560 2.035 3.101 . 0 0 "[ . 1 . 2]" 1
614 1 49 ASN H 1 49 ASN HD21 . . 5.500 4.204 2.150 5.295 . 0 0 "[ . 1 . 2]" 1
615 1 49 ASN H 1 51 ASP H . . 4.960 4.408 3.986 4.752 . 0 0 "[ . 1 . 2]" 1
616 1 49 ASN H 1 52 GLY H . . 4.610 3.857 3.376 4.480 . 0 0 "[ . 1 . 2]" 1
617 1 49 ASN H 1 53 LYS H . . 3.900 3.483 3.068 3.962 0.062 8 0 "[ . 1 . 2]" 1
618 1 49 ASN H 1 54 ARG HA . . 4.480 4.386 3.889 4.560 0.080 9 0 "[ . 1 . 2]" 1
619 1 49 ASN H 1 55 ARG H . . 5.050 4.778 3.866 5.123 0.073 20 0 "[ . 1 . 2]" 1
620 1 49 ASN HA 1 49 ASN HD22 . . 5.210 4.703 3.956 5.258 0.048 3 0 "[ . 1 . 2]" 1
621 1 49 ASN HB3 1 49 ASN HD22 . . 3.890 3.668 3.439 4.035 0.145 1 0 "[ . 1 . 2]" 1
622 1 49 ASN HB3 1 50 ARG H . . 4.010 3.646 2.812 4.081 0.071 15 0 "[ . 1 . 2]" 1
623 1 49 ASN HB3 1 54 ARG H . . 4.820 4.364 3.263 5.252 0.432 17 0 "[ . 1 . 2]" 1
624 1 49 ASN HD21 1 50 ARG HA . . 5.440 5.273 4.517 6.099 0.659 12 1 "[ . 1 + . 2]" 1
625 1 49 ASN HD21 1 51 ASP H . . 5.460 2.885 2.015 4.387 . 0 0 "[ . 1 . 2]" 1
626 1 49 ASN HD21 1 51 ASP HB3 . . 5.500 4.190 1.986 6.024 0.524 1 1 "[+ . 1 . 2]" 1
627 1 49 ASN HD21 1 53 LYS H . . 5.410 3.327 1.697 5.796 0.386 1 0 "[ . 1 . 2]" 1
628 1 49 ASN HD22 1 50 ARG H . . 5.500 3.841 2.834 4.726 . 0 0 "[ . 1 . 2]" 1
629 1 50 ARG H 1 51 ASP H . . 3.870 3.064 2.804 3.356 . 0 0 "[ . 1 . 2]" 1
630 1 50 ARG H 1 52 GLY H . . 5.170 4.515 4.143 4.833 . 0 0 "[ . 1 . 2]" 1
631 1 50 ARG HA 1 52 GLY H . . 4.190 3.929 3.384 4.257 0.067 4 0 "[ . 1 . 2]" 1
632 1 51 ASP H 1 51 ASP HB3 . . 3.360 3.094 2.525 3.667 0.307 15 0 "[ . 1 . 2]" 1
633 1 51 ASP H 1 52 GLY H . . 3.170 2.342 1.873 2.693 . 0 0 "[ . 1 . 2]" 1
634 1 51 ASP H 1 52 GLY HA2 . . 4.930 4.366 3.859 4.735 . 0 0 "[ . 1 . 2]" 1
635 1 51 ASP H 1 52 GLY HA3 . . 4.900 4.815 4.516 5.000 0.100 17 0 "[ . 1 . 2]" 1
636 1 51 ASP HB3 1 52 GLY H . . 4.530 4.178 3.809 4.514 . 0 0 "[ . 1 . 2]" 1
637 1 51 ASP HB3 1 53 LYS H . . 5.080 3.688 2.917 4.794 . 0 0 "[ . 1 . 2]" 1
638 1 52 GLY H 1 53 LYS H . . 3.260 2.874 2.602 3.141 . 0 0 "[ . 1 . 2]" 1
639 1 53 LYS H 1 53 LYS HD3 . . 4.070 3.660 2.165 5.139 1.069 13 4 "[ * . *1 + .- 2]" 1
640 1 53 LYS H 1 53 LYS HE3 . . 4.920 4.792 3.296 6.140 1.220 13 4 "[ . 1*-+ .* 2]" 1
641 1 53 LYS H 1 54 ARG H . . 4.550 3.528 2.655 4.286 . 0 0 "[ . 1 . 2]" 1
642 1 53 LYS HA 1 53 LYS HD3 . . 3.800 3.295 2.118 5.217 1.417 19 1 "[ . 1 . +2]" 1
643 1 53 LYS HA 1 54 ARG H . . 3.070 2.493 1.836 3.032 . 0 0 "[ . 1 . 2]" 1
644 1 53 LYS HD3 1 53 LYS HE3 . . 2.590 2.671 2.405 3.046 0.456 6 0 "[ . 1 . 2]" 1
645 1 53 LYS HD3 1 54 ARG H . . 4.700 4.979 4.052 6.308 1.608 18 7 "[ - . *1* * .* +*2]" 1
646 1 53 LYS HE3 1 53 LYS HG3 . . 3.490 3.342 2.341 4.103 0.613 5 1 "[ + 1 . 2]" 1
647 1 54 ARG H 1 54 ARG HG3 . . 5.120 4.671 4.315 4.979 . 0 0 "[ . 1 . 2]" 1
648 1 54 ARG H 1 55 ARG H . . 5.060 2.897 2.148 4.446 . 0 0 "[ . 1 . 2]" 1
649 1 54 ARG HA 1 54 ARG HG3 . . 3.990 2.976 2.192 3.654 . 0 0 "[ . 1 . 2]" 1
650 1 54 ARG HA 1 55 ARG H . . 3.520 3.466 2.791 3.598 0.078 13 0 "[ . 1 . 2]" 1
651 1 55 ARG H 1 55 ARG HB3 . . 4.100 3.661 3.199 3.925 . 0 0 "[ . 1 . 2]" 1
652 1 55 ARG H 1 56 GLY H . . 4.360 4.186 2.074 4.423 0.063 20 0 "[ . 1 . 2]" 1
653 1 55 ARG HA 1 55 ARG HD3 . . 4.600 4.334 3.401 5.100 0.500 11 1 "[ . 1+ . 2]" 1
654 1 55 ARG HB3 1 56 GLY H . . 4.810 2.764 1.894 4.266 . 0 0 "[ . 1 . 2]" 1
655 1 55 ARG HB3 1 57 ASP H . . 4.820 3.915 2.086 5.905 1.085 18 5 "[ ** * 1- . + 2]" 1
656 1 56 GLY H 1 57 ASP H . . 3.960 2.988 2.064 4.023 0.063 20 0 "[ . 1 . 2]" 1
657 1 57 ASP H 1 58 ALA H . . 4.960 4.363 4.213 4.480 . 0 0 "[ . 1 . 2]" 1
658 1 57 ASP H 1 58 ALA MB . . 5.500 4.628 4.126 5.066 . 0 0 "[ . 1 . 2]" 1
659 1 57 ASP HA 1 58 ALA H . . 3.240 2.371 2.203 2.567 . 0 0 "[ . 1 . 2]" 1
660 1 57 ASP HA 1 58 ALA MB . . 4.490 3.906 3.708 4.036 . 0 0 "[ . 1 . 2]" 1
661 1 57 ASP HB3 1 58 ALA H . . 4.030 3.816 3.529 4.089 0.059 18 0 "[ . 1 . 2]" 1
662 1 58 ALA H 1 58 ALA MB . . 3.580 2.679 2.453 2.833 . 0 0 "[ . 1 . 2]" 1
663 1 58 ALA HA 1 59 LEU H . . 3.190 2.384 2.167 2.517 . 0 0 "[ . 1 . 2]" 1
664 1 58 ALA MB 1 59 LEU H . . 3.590 2.464 2.228 2.760 . 0 0 "[ . 1 . 2]" 1
665 1 59 LEU H 1 59 LEU HB3 . . 4.040 3.450 3.159 3.691 . 0 0 "[ . 1 . 2]" 1
666 1 59 LEU H 1 59 LEU QD . . 3.670 3.082 2.469 3.525 . 0 0 "[ . 1 . 2]" 1
667 1 59 LEU HA 1 59 LEU QD . . 3.540 2.153 1.957 2.913 . 0 0 "[ . 1 . 2]" 1
668 1 59 LEU HA 1 60 ILE H . . 3.100 2.290 2.180 2.405 . 0 0 "[ . 1 . 2]" 1
669 1 59 LEU HA 1 60 ILE HB . . 4.840 4.436 4.087 4.787 . 0 0 "[ . 1 . 2]" 1
670 1 59 LEU HB3 1 60 ILE H . . 4.490 3.153 2.556 3.782 . 0 0 "[ . 1 . 2]" 1
671 1 59 LEU QD 1 60 ILE H . . 4.230 3.177 2.358 4.203 . 0 0 "[ . 1 . 2]" 1
672 1 60 ILE H 1 60 ILE HB . . 3.560 2.614 2.367 2.846 . 0 0 "[ . 1 . 2]" 1
673 1 60 ILE H 1 60 ILE MD . . 4.440 3.716 3.412 3.866 . 0 0 "[ . 1 . 2]" 1
674 1 60 ILE H 1 60 ILE MG . . 4.580 3.866 3.761 3.946 . 0 0 "[ . 1 . 2]" 1
675 1 60 ILE HA 1 60 ILE MD . . 4.060 2.169 2.024 2.470 . 0 0 "[ . 1 . 2]" 1
676 1 60 ILE HA 1 60 ILE MG . . 3.400 2.377 2.164 2.555 . 0 0 "[ . 1 . 2]" 1
677 1 60 ILE HA 1 61 GLU H . . 3.150 2.188 2.115 2.278 . 0 0 "[ . 1 . 2]" 1
678 1 60 ILE HA 1 61 GLU HG3 . . 5.420 4.289 3.829 5.701 0.281 15 0 "[ . 1 . 2]" 1
679 1 60 ILE HA 1 62 MET ME . . 5.500 5.269 4.617 5.609 0.109 12 0 "[ . 1 . 2]" 1
680 1 60 ILE HB 1 61 GLU H . . 4.820 4.224 3.957 4.459 . 0 0 "[ . 1 . 2]" 1
681 1 60 ILE MD 1 61 GLU H . . 5.330 3.968 3.725 4.324 . 0 0 "[ . 1 . 2]" 1
682 1 60 ILE MD 1 61 GLU HG3 . . 5.500 5.774 5.391 6.873 1.373 15 5 "[ - . * * + * 2]" 1
683 1 60 ILE MG 1 61 GLU H . . 3.540 2.940 2.518 3.388 . 0 0 "[ . 1 . 2]" 1
684 1 60 ILE MG 1 61 GLU HB3 . . 5.500 5.353 5.022 5.565 0.065 2 0 "[ . 1 . 2]" 1
685 1 60 ILE MG 1 62 MET HA . . 5.490 3.757 3.273 4.372 . 0 0 "[ . 1 . 2]" 1
686 1 60 ILE MG 1 62 MET ME . . 3.360 2.406 1.944 3.004 . 0 0 "[ . 1 . 2]" 1
687 1 61 GLU H 1 61 GLU HB3 . . 4.000 3.651 3.574 3.720 . 0 0 "[ . 1 . 2]" 1
688 1 61 GLU H 1 61 GLU HG3 . . 3.520 2.706 2.269 3.799 0.279 15 0 "[ . 1 . 2]" 1
689 1 61 GLU HA 1 62 MET H . . 3.090 2.271 2.171 2.333 . 0 0 "[ . 1 . 2]" 1
690 1 62 MET H 1 62 MET HB3 . . 3.730 2.716 2.495 2.894 . 0 0 "[ . 1 . 2]" 1
691 1 62 MET H 1 62 MET ME . . 4.130 4.098 3.667 4.228 0.098 14 0 "[ . 1 . 2]" 1
692 1 62 MET H 1 63 GLU H . . 4.980 4.574 4.422 4.721 . 0 0 "[ . 1 . 2]" 1
693 1 62 MET HA 1 62 MET ME . . 3.750 3.189 2.389 3.631 . 0 0 "[ . 1 . 2]" 1
694 1 62 MET HA 1 63 GLU H . . 3.140 2.457 2.362 2.592 . 0 0 "[ . 1 . 2]" 1
695 1 62 MET HA 1 63 GLU HA . . 4.460 4.336 4.134 4.478 0.018 15 0 "[ . 1 . 2]" 1
696 1 62 MET HA 1 63 GLU HG3 . . 4.800 4.447 3.934 4.972 0.172 16 0 "[ . 1 . 2]" 1
697 1 62 MET HB3 1 62 MET ME . . 3.390 3.465 3.312 3.506 0.116 2 0 "[ . 1 . 2]" 1
698 1 62 MET HB3 1 63 GLU H . . 5.400 3.603 3.224 4.089 . 0 0 "[ . 1 . 2]" 1
699 1 62 MET HB3 1 68 VAL HA . . 4.510 4.086 3.744 4.565 0.055 15 0 "[ . 1 . 2]" 1
700 1 62 MET HB3 1 68 VAL QG . . 4.860 2.486 2.147 3.012 . 0 0 "[ . 1 . 2]" 1
701 1 63 GLU H 1 63 GLU HG3 . . 3.720 2.875 2.607 3.423 . 0 0 "[ . 1 . 2]" 1
702 1 63 GLU H 1 64 SER H . . 3.730 2.831 2.544 3.148 . 0 0 "[ . 1 . 2]" 1
703 1 63 GLU HA 1 63 GLU HG3 . . 3.650 3.281 3.064 3.616 . 0 0 "[ . 1 . 2]" 1
704 1 63 GLU HB3 1 64 SER H . . 3.540 3.444 2.742 3.627 0.087 18 0 "[ . 1 . 2]" 1
705 1 64 SER H 1 64 SER HB3 . . 4.210 3.893 3.559 4.009 . 0 0 "[ . 1 . 2]" 1
706 1 64 SER H 1 65 GLU H . . 5.020 4.435 4.306 4.647 . 0 0 "[ . 1 . 2]" 1
707 1 64 SER H 1 67 ASP H . . 4.070 3.549 3.345 3.820 . 0 0 "[ . 1 . 2]" 1
708 1 64 SER H 1 67 ASP HA . . 5.480 5.476 5.153 5.571 0.091 14 0 "[ . 1 . 2]" 1
709 1 64 SER H 1 68 VAL H . . 4.910 4.502 4.220 4.950 0.040 9 0 "[ . 1 . 2]" 1
710 1 64 SER H 1 68 VAL QG . . 5.500 4.217 3.659 4.870 . 0 0 "[ . 1 . 2]" 1
711 1 64 SER HA 1 65 GLU H . . 3.120 2.463 2.341 2.626 . 0 0 "[ . 1 . 2]" 1
712 1 64 SER HA 1 65 GLU HB3 . . 5.020 4.765 4.162 5.074 0.054 3 0 "[ . 1 . 2]" 1
713 1 64 SER HB3 1 65 GLU H . . 3.630 2.634 1.913 3.246 . 0 0 "[ . 1 . 2]" 1
714 1 64 SER HB3 1 66 GLN H . . 4.040 3.545 2.711 4.114 0.074 1 0 "[ . 1 . 2]" 1
715 1 64 SER HB3 1 67 ASP H . . 5.080 4.679 3.771 5.157 0.077 7 0 "[ . 1 . 2]" 1
716 1 65 GLU H 1 65 GLU HB3 . . 3.290 2.396 2.149 2.644 . 0 0 "[ . 1 . 2]" 1
717 1 65 GLU H 1 66 GLN H . . 3.430 2.891 2.570 3.343 . 0 0 "[ . 1 . 2]" 1
718 1 65 GLU H 1 67 ASP H . . 4.930 4.386 4.053 4.815 . 0 0 "[ . 1 . 2]" 1
719 1 65 GLU H 1 68 VAL QG . . 4.810 3.984 3.644 4.269 . 0 0 "[ . 1 . 2]" 1
720 1 65 GLU HA 1 68 VAL H . . 3.840 3.052 2.480 3.409 . 0 0 "[ . 1 . 2]" 1
721 1 65 GLU HA 1 68 VAL HB . . 3.400 2.672 2.088 3.493 0.093 7 0 "[ . 1 . 2]" 1
722 1 65 GLU HA 1 68 VAL QG . . 3.520 2.107 1.780 2.447 . 0 0 "[ . 1 . 2]" 1
723 1 65 GLU HA 1 69 GLN H . . 4.370 4.055 3.744 4.459 0.089 9 0 "[ . 1 . 2]" 1
724 1 65 GLU HB3 1 66 GLN H . . 3.860 3.067 2.389 3.905 0.045 17 0 "[ . 1 . 2]" 1
725 1 66 GLN H 1 66 GLN HB3 . . 3.160 3.129 2.645 3.249 0.089 11 0 "[ . 1 . 2]" 1
726 1 66 GLN H 1 66 GLN HG3 . . 3.930 3.793 3.225 3.919 . 0 0 "[ . 1 . 2]" 1
727 1 66 GLN H 1 67 ASP H . . 3.160 2.837 2.708 2.969 . 0 0 "[ . 1 . 2]" 1
728 1 66 GLN H 1 68 VAL H . . 5.110 4.070 3.938 4.204 . 0 0 "[ . 1 . 2]" 1
729 1 66 GLN H 1 68 VAL QG . . 5.500 4.529 4.017 4.851 . 0 0 "[ . 1 . 2]" 1
730 1 66 GLN HA 1 66 GLN HE21 . . 5.060 3.259 2.049 4.775 . 0 0 "[ . 1 . 2]" 1
731 1 66 GLN HA 1 66 GLN HG3 . . 3.480 3.347 2.945 3.505 0.025 14 0 "[ . 1 . 2]" 1
732 1 66 GLN HA 1 68 VAL H . . 4.510 4.227 4.039 4.484 . 0 0 "[ . 1 . 2]" 1
733 1 66 GLN HA 1 69 GLN H . . 3.780 3.799 3.471 3.868 0.088 18 0 "[ . 1 . 2]" 1
734 1 66 GLN HB3 1 67 ASP H . . 3.680 2.883 2.521 3.195 . 0 0 "[ . 1 . 2]" 1
735 1 66 GLN HB3 1 67 ASP HA . . 3.990 3.963 3.551 4.072 0.082 16 0 "[ . 1 . 2]" 1
736 1 66 GLN HB3 1 68 VAL H . . 4.880 4.915 4.734 4.967 0.087 10 0 "[ . 1 . 2]" 1
737 1 66 GLN HE21 1 70 LYS HE3 . . 5.500 4.463 2.223 5.571 0.071 15 0 "[ . 1 . 2]" 1
738 1 66 GLN HG3 1 67 ASP H . . 4.920 5.175 4.835 5.507 0.587 16 1 "[ . 1 .+ 2]" 1
739 1 67 ASP H 1 68 VAL H . . 3.390 2.363 2.060 2.672 . 0 0 "[ . 1 . 2]" 1
740 1 67 ASP H 1 68 VAL QG . . 5.160 3.821 3.531 4.279 . 0 0 "[ . 1 . 2]" 1
741 1 67 ASP HA 1 69 GLN H . . 5.300 4.420 4.013 4.835 . 0 0 "[ . 1 . 2]" 1
742 1 67 ASP HA 1 70 LYS H . . 3.870 3.415 2.871 3.945 0.075 10 0 "[ . 1 . 2]" 1
743 1 67 ASP HA 1 70 LYS HD3 . . 5.120 4.367 2.498 5.191 0.071 2 0 "[ . 1 . 2]" 1
744 1 67 ASP HA 1 70 LYS HE3 . . 4.660 3.526 1.827 4.740 0.080 16 0 "[ . 1 . 2]" 1
745 1 67 ASP HA 1 71 ALA H . . 4.780 4.616 4.086 4.860 0.080 16 0 "[ . 1 . 2]" 1
746 1 68 VAL H 1 68 VAL HB . . 3.270 2.521 2.367 2.861 . 0 0 "[ . 1 . 2]" 1
747 1 68 VAL H 1 68 VAL QG . . 3.160 2.294 1.824 2.579 . 0 0 "[ . 1 . 2]" 1
748 1 68 VAL H 1 69 GLN H . . 3.340 2.538 2.306 2.605 . 0 0 "[ . 1 . 2]" 1
749 1 68 VAL H 1 69 GLN HA . . 5.120 5.156 4.999 5.191 0.071 19 0 "[ . 1 . 2]" 1
750 1 68 VAL H 1 70 LYS H . . 4.600 4.091 3.740 4.390 . 0 0 "[ . 1 . 2]" 1
751 1 68 VAL HA 1 68 VAL QG . . 3.210 2.168 2.050 2.254 . 0 0 "[ . 1 . 2]" 1
752 1 68 VAL HA 1 70 LYS H . . 5.250 4.444 3.898 4.863 . 0 0 "[ . 1 . 2]" 1
753 1 68 VAL HA 1 71 ALA H . . 4.130 3.413 2.923 3.768 . 0 0 "[ . 1 . 2]" 1
754 1 68 VAL HA 1 71 ALA MB . . 3.410 2.856 2.453 3.361 . 0 0 "[ . 1 . 2]" 1
755 1 68 VAL HB 1 69 GLN H . . 3.880 2.866 2.118 3.960 0.080 7 0 "[ . 1 . 2]" 1
756 1 68 VAL QG 1 69 GLN H . . 3.900 2.928 2.251 3.340 . 0 0 "[ . 1 . 2]" 1
757 1 68 VAL QG 1 69 GLN HA . . 4.010 3.348 3.060 3.904 . 0 0 "[ . 1 . 2]" 1
758 1 68 VAL QG 1 69 GLN HE21 . . 4.170 3.072 2.385 4.138 . 0 0 "[ . 1 . 2]" 1
759 1 68 VAL QG 1 69 GLN HE22 . . 5.060 3.839 2.479 4.876 . 0 0 "[ . 1 . 2]" 1
760 1 68 VAL QG 1 70 LYS H . . 5.500 4.599 4.130 4.928 . 0 0 "[ . 1 . 2]" 1
761 1 68 VAL QG 1 71 ALA H . . 5.480 4.256 3.964 4.473 . 0 0 "[ . 1 . 2]" 1
762 1 68 VAL QG 1 71 ALA MB . . 4.370 3.321 2.901 3.818 . 0 0 "[ . 1 . 2]" 1
763 1 68 VAL QG 1 88 GLU HA . . 4.150 3.848 3.526 4.153 0.003 14 0 "[ . 1 . 2]" 1
764 1 69 GLN H 1 69 GLN HB3 . . 3.640 3.599 3.526 3.658 0.018 9 0 "[ . 1 . 2]" 1
765 1 69 GLN H 1 69 GLN HE21 . . 5.060 3.902 3.068 4.582 . 0 0 "[ . 1 . 2]" 1
766 1 69 GLN H 1 71 ALA H . . 5.280 4.273 3.983 4.499 . 0 0 "[ . 1 . 2]" 1
767 1 69 GLN HA 1 69 GLN HE21 . . 4.800 3.519 2.567 4.560 . 0 0 "[ . 1 . 2]" 1
768 1 69 GLN HA 1 69 GLN HE22 . . 5.500 3.784 3.481 4.362 . 0 0 "[ . 1 . 2]" 1
769 1 69 GLN HA 1 72 LEU H . . 4.330 3.218 2.951 3.457 . 0 0 "[ . 1 . 2]" 1
770 1 69 GLN HA 1 72 LEU HB3 . . 3.430 3.961 3.326 4.739 1.309 11 9 "[ ** * **+ ** -2]" 1
771 1 69 GLN HA 1 72 LEU QD . . 3.210 2.891 2.253 3.227 0.017 19 0 "[ . 1 . 2]" 1
772 1 69 GLN HB3 1 72 LEU QD . . 5.440 4.622 3.888 5.149 . 0 0 "[ . 1 . 2]" 1
773 1 69 GLN HE22 1 72 LEU QD . . 4.280 2.819 2.343 3.698 . 0 0 "[ . 1 . 2]" 1
774 1 70 LYS H 1 71 ALA H . . 3.270 2.811 2.613 3.126 . 0 0 "[ . 1 . 2]" 1
775 1 70 LYS HA 1 70 LYS HD3 . . 3.550 3.423 2.053 4.104 0.554 2 7 "[-+ *. * 1 ** . *]" 1
776 1 70 LYS HA 1 70 LYS HG3 . . 3.380 3.058 2.005 3.723 0.343 18 0 "[ . 1 . 2]" 1
777 1 70 LYS HA 1 73 GLU H . . 3.980 3.643 3.220 4.030 0.050 18 0 "[ . 1 . 2]" 1
778 1 70 LYS HA 1 73 GLU HG3 . . 3.750 2.690 2.175 4.055 0.305 20 0 "[ . 1 . 2]" 1
779 1 70 LYS HG3 1 71 ALA H . . 5.360 4.835 4.401 5.239 . 0 0 "[ . 1 . 2]" 1
780 1 71 ALA H 1 71 ALA MB . . 2.950 2.237 2.170 2.330 . 0 0 "[ . 1 . 2]" 1
781 1 71 ALA H 1 72 LEU QD . . 5.500 4.494 3.818 4.982 . 0 0 "[ . 1 . 2]" 1
782 1 71 ALA HA 1 74 LYS H . . 4.630 3.912 3.351 4.574 . 0 0 "[ . 1 . 2]" 1
783 1 71 ALA HA 1 74 LYS HG3 . . 4.300 3.599 2.731 4.588 0.288 11 0 "[ . 1 . 2]" 1
784 1 71 ALA HA 1 86 VAL QG . . 4.980 4.031 3.481 4.398 . 0 0 "[ . 1 . 2]" 1
785 1 71 ALA MB 1 72 LEU H . . 3.750 2.626 2.373 2.880 . 0 0 "[ . 1 . 2]" 1
786 1 71 ALA MB 1 72 LEU HA . . 5.210 3.831 3.551 4.017 . 0 0 "[ . 1 . 2]" 1
787 1 71 ALA MB 1 72 LEU QD . . 3.610 3.213 2.819 3.640 0.030 19 0 "[ . 1 . 2]" 1
788 1 71 ALA MB 1 86 VAL QG . . 3.380 2.761 2.111 3.293 . 0 0 "[ . 1 . 2]" 1
789 1 72 LEU H 1 72 LEU HB3 . . 3.080 3.461 3.017 3.642 0.562 9 6 "[ * * +* -* 2]" 1
790 1 72 LEU H 1 72 LEU QD . . 3.690 2.935 2.540 3.331 . 0 0 "[ . 1 . 2]" 1
791 1 72 LEU H 1 73 GLU H . . 3.510 2.750 2.557 2.977 . 0 0 "[ . 1 . 2]" 1
792 1 72 LEU H 1 73 GLU HG3 . . 5.450 4.737 4.047 5.521 0.071 14 0 "[ . 1 . 2]" 1
793 1 72 LEU H 1 86 VAL QG . . 5.030 4.028 3.605 4.641 . 0 0 "[ . 1 . 2]" 1
794 1 72 LEU HA 1 72 LEU QD . . 2.880 2.143 2.028 2.407 . 0 0 "[ . 1 . 2]" 1
795 1 72 LEU HA 1 72 LEU HG . . 3.800 2.675 2.387 3.098 . 0 0 "[ . 1 . 2]" 1
796 1 72 LEU HA 1 74 LYS H . . 4.470 3.559 3.064 3.834 . 0 0 "[ . 1 . 2]" 1
797 1 72 LEU HA 1 75 HIS H . . 4.320 3.517 3.010 4.173 . 0 0 "[ . 1 . 2]" 1
798 1 72 LEU HA 1 86 VAL QG . . 3.520 2.590 2.131 3.403 . 0 0 "[ . 1 . 2]" 1
799 1 72 LEU HB3 1 72 LEU QD . . 2.730 2.238 2.118 2.340 . 0 0 "[ . 1 . 2]" 1
800 1 72 LEU HB3 1 73 GLU H . . 4.060 3.612 2.947 4.170 0.110 10 0 "[ . 1 . 2]" 1
801 1 72 LEU QD 1 73 GLU H . . 4.890 4.313 4.149 4.471 . 0 0 "[ . 1 . 2]" 1
802 1 72 LEU QD 1 86 VAL HB . . 4.600 3.996 2.729 4.651 0.051 1 0 "[ . 1 . 2]" 1
803 1 72 LEU QD 1 86 VAL QG . . 4.430 2.151 1.955 2.707 . 0 0 "[ . 1 . 2]" 1
804 1 72 LEU QD 1 87 TYR H . . 4.600 3.939 3.538 4.514 . 0 0 "[ . 1 . 2]" 1
805 1 72 LEU QD 1 87 TYR HA . . 3.660 2.979 2.179 3.569 . 0 0 "[ . 1 . 2]" 1
806 1 72 LEU QD 1 87 TYR QD . . 5.500 4.227 3.397 5.048 . 0 0 "[ . 1 . 2]" 1
807 1 72 LEU QD 1 88 GLU H . . 3.390 2.905 2.462 3.327 . 0 0 "[ . 1 . 2]" 1
808 1 72 LEU QD 1 88 GLU HA . . 4.430 3.113 2.352 3.870 . 0 0 "[ . 1 . 2]" 1
809 1 72 LEU QD 1 88 GLU HB3 . . 3.690 2.734 2.086 3.577 . 0 0 "[ . 1 . 2]" 1
810 1 72 LEU HG 1 73 GLU H . . 5.240 4.968 4.418 5.294 0.054 4 0 "[ . 1 . 2]" 1
811 1 73 GLU H 1 73 GLU HG3 . . 3.360 2.585 1.895 3.423 0.063 11 0 "[ . 1 . 2]" 1
812 1 73 GLU H 1 74 LYS H . . 3.270 2.812 2.640 2.947 . 0 0 "[ . 1 . 2]" 1
813 1 73 GLU HA 1 73 GLU HG3 . . 3.620 3.364 3.039 3.698 0.078 10 0 "[ . 1 . 2]" 1
814 1 73 GLU HA 1 75 HIS H . . 5.350 3.870 3.505 4.093 . 0 0 "[ . 1 . 2]" 1
815 1 73 GLU HG3 1 74 LYS H . . 5.120 4.471 2.377 5.187 0.067 11 0 "[ . 1 . 2]" 1
816 1 74 LYS H 1 74 LYS HB3 . . 3.660 3.621 3.289 3.792 0.132 5 0 "[ . 1 . 2]" 1
817 1 74 LYS H 1 74 LYS HG3 . . 3.870 3.572 2.064 4.018 0.148 5 0 "[ . 1 . 2]" 1
818 1 74 LYS H 1 75 HIS H . . 3.640 2.660 2.348 2.910 . 0 0 "[ . 1 . 2]" 1
819 1 74 LYS H 1 86 VAL QG . . 4.490 3.667 3.150 4.243 . 0 0 "[ . 1 . 2]" 1
820 1 74 LYS HA 1 74 LYS HG3 . . 4.080 3.900 3.643 4.223 0.143 11 0 "[ . 1 . 2]" 1
821 1 74 LYS HA 1 77 MET ME . . 3.840 3.223 1.962 3.938 0.098 16 0 "[ . 1 . 2]" 1
822 1 75 HIS H 1 75 HIS HB3 . . 3.940 2.452 2.217 2.717 . 0 0 "[ . 1 . 2]" 1
823 1 75 HIS HA 1 86 VAL QG . . 3.560 2.140 1.819 2.652 . 0 0 "[ . 1 . 2]" 1
824 1 75 HIS HB3 1 75 HIS HD2 . . 3.800 3.511 2.592 3.927 0.127 8 0 "[ . 1 . 2]" 1
825 1 75 HIS HB3 1 86 VAL QG . . 5.500 2.691 2.031 4.177 . 0 0 "[ . 1 . 2]" 1
826 1 76 ARG H 1 77 MET H . . 4.200 2.338 1.678 3.243 . 0 0 "[ . 1 . 2]" 1
827 1 76 ARG H 1 86 VAL QG . . 4.520 4.443 3.728 4.564 0.044 16 0 "[ . 1 . 2]" 1
828 1 77 MET H 1 77 MET HB3 . . 3.880 3.200 2.336 3.747 . 0 0 "[ . 1 . 2]" 1
829 1 77 MET H 1 77 MET ME . . 4.550 4.215 2.662 4.658 0.108 6 0 "[ . 1 . 2]" 1
830 1 77 MET HA 1 77 MET ME . . 4.110 3.864 2.064 4.214 0.104 12 0 "[ . 1 . 2]" 1
831 1 77 MET HA 1 78 TYR H . . 3.310 2.670 2.309 2.894 . 0 0 "[ . 1 . 2]" 1
832 1 77 MET HA 1 78 TYR QD . . 4.740 4.228 3.528 4.806 0.066 16 0 "[ . 1 . 2]" 1
833 1 77 MET HB3 1 78 TYR H . . 4.420 2.761 1.941 3.943 . 0 0 "[ . 1 . 2]" 1
834 1 77 MET ME 1 78 TYR H . . 4.500 3.885 2.754 4.589 0.089 14 0 "[ . 1 . 2]" 1
835 1 78 TYR H 1 78 TYR QD . . 4.790 2.949 2.026 4.156 . 0 0 "[ . 1 . 2]" 1
836 1 78 TYR HA 1 78 TYR QD . . 3.620 3.258 2.323 3.717 0.097 19 0 "[ . 1 . 2]" 1
837 1 78 TYR QD 1 79 MET H . . 5.290 3.563 2.972 4.549 . 0 0 "[ . 1 . 2]" 1
838 1 78 TYR QD 1 81 GLN HA . . 3.870 3.515 2.396 3.961 0.091 14 0 "[ . 1 . 2]" 1
839 1 78 TYR QD 1 82 ARG H . . 4.710 3.057 2.328 3.902 . 0 0 "[ . 1 . 2]" 1
840 1 78 TYR QE 1 82 ARG H . . 5.290 4.006 3.386 5.380 0.090 15 0 "[ . 1 . 2]" 1
841 1 78 TYR QE 1 82 ARG HA . . 4.290 4.154 2.675 4.393 0.103 18 0 "[ . 1 . 2]" 1
842 1 79 MET H 1 82 ARG H . . 4.400 3.544 2.584 4.467 0.067 7 0 "[ . 1 . 2]" 1
843 1 79 MET H 1 82 ARG HB3 . . 5.500 5.367 4.401 6.276 0.776 17 4 "[ *. 1 . + -*]" 1
844 1 79 MET H 1 84 VAL QG . . 4.260 2.702 1.897 3.468 . 0 0 "[ . 1 . 2]" 1
845 1 79 MET HA 1 79 MET HG3 . . 3.770 3.235 2.313 3.912 0.142 10 0 "[ . 1 . 2]" 1
846 1 79 MET HA 1 80 GLY H . . 3.200 2.445 2.156 3.236 0.036 17 0 "[ . 1 . 2]" 1
847 1 79 MET HA 1 80 GLY QA . . 4.830 4.027 3.760 4.270 . 0 0 "[ . 1 . 2]" 1
848 1 79 MET HB3 1 84 VAL QG . . 3.770 2.908 2.087 3.649 . 0 0 "[ . 1 . 2]" 1
849 1 79 MET ME 1 84 VAL QG . . 3.540 3.002 2.209 3.471 . 0 0 "[ . 1 . 2]" 1
850 1 79 MET HG3 1 80 GLY H . . 5.140 3.898 1.713 5.201 0.061 20 0 "[ . 1 . 2]" 1
851 1 79 MET HG3 1 84 VAL QG . . 5.120 3.806 2.098 4.775 . 0 0 "[ . 1 . 2]" 1
852 1 80 GLY QA 1 81 GLN HB3 . . 4.750 4.385 3.741 5.343 0.593 17 2 "[ . 1 .-+ 2]" 1
853 1 80 GLY QA 1 82 ARG H . . 4.440 3.930 3.471 4.242 . 0 0 "[ . 1 . 2]" 1
854 1 81 GLN H 1 81 GLN HB3 . . 3.870 3.192 2.630 3.664 . 0 0 "[ . 1 . 2]" 1
855 1 81 GLN H 1 81 GLN QE . . 5.440 4.277 2.525 5.189 . 0 0 "[ . 1 . 2]" 1
856 1 81 GLN H 1 82 ARG H . . 3.200 2.541 1.872 3.295 0.095 7 0 "[ . 1 . 2]" 1
857 1 81 GLN HA 1 81 GLN QE . . 5.100 3.807 2.334 4.942 . 0 0 "[ . 1 . 2]" 1
858 1 81 GLN QE 1 82 ARG H . . 4.710 4.429 3.457 4.682 . 0 0 "[ . 1 . 2]" 1
859 1 81 GLN QE 1 82 ARG HG3 . . 5.500 4.286 2.602 6.549 1.049 17 2 "[ . 1 . + -]" 1
860 1 82 ARG H 1 82 ARG HB3 . . 3.420 3.579 2.371 3.945 0.525 16 2 "[ . - 1 .+ 2]" 1
861 1 82 ARG H 1 82 ARG HG3 . . 4.290 3.776 2.566 4.376 0.086 14 0 "[ . 1 . 2]" 1
862 1 84 VAL H 1 84 VAL HB . . 3.440 3.019 2.463 3.503 0.063 17 0 "[ . 1 . 2]" 1
863 1 84 VAL H 1 84 VAL QG . . 3.670 2.520 2.094 3.199 . 0 0 "[ . 1 . 2]" 1
864 1 84 VAL QG 1 86 VAL QG . . 3.680 2.859 2.044 3.572 . 0 0 "[ . 1 . 2]" 1
865 1 86 VAL HA 1 87 TYR H . . 3.260 2.259 2.131 2.418 . 0 0 "[ . 1 . 2]" 1
866 1 86 VAL QG 1 87 TYR H . . 3.580 2.561 2.289 3.118 . 0 0 "[ . 1 . 2]" 1
867 1 86 VAL QG 1 88 GLU H . . 5.500 4.604 4.273 5.015 . 0 0 "[ . 1 . 2]" 1
868 1 86 VAL QG 1 88 GLU HA . . 4.660 4.568 4.324 4.695 0.035 17 0 "[ . 1 . 2]" 1
869 1 87 TYR H 1 87 TYR QD . . 4.380 4.004 3.309 4.438 0.058 5 0 "[ . 1 . 2]" 1
870 1 87 TYR HA 1 87 TYR QD . . 3.000 2.814 2.438 3.070 0.070 7 0 "[ . 1 . 2]" 1
871 1 87 TYR HA 1 88 GLU H . . 3.150 2.346 2.091 2.643 . 0 0 "[ . 1 . 2]" 1
872 1 87 TYR HB3 1 88 GLU H . . 3.740 2.795 2.115 3.757 0.017 5 0 "[ . 1 . 2]" 1
873 1 87 TYR QD 1 88 GLU H . . 4.410 2.871 2.027 4.078 . 0 0 "[ . 1 . 2]" 1
874 1 88 GLU H 1 89 ILE H . . 4.710 4.589 4.426 4.646 . 0 0 "[ . 1 . 2]" 1
875 1 88 GLU HA 1 89 ILE H . . 2.970 2.416 2.295 2.672 . 0 0 "[ . 1 . 2]" 1
876 1 89 ILE H 1 89 ILE HB . . 3.430 2.595 2.448 2.864 . 0 0 "[ . 1 . 2]" 1
877 1 89 ILE H 1 89 ILE MD . . 3.950 3.524 3.183 4.050 0.100 11 0 "[ . 1 . 2]" 1
878 1 89 ILE H 1 89 ILE MG . . 4.550 3.863 3.744 3.992 . 0 0 "[ . 1 . 2]" 1
879 1 89 ILE HA 1 89 ILE MD . . 3.140 2.231 2.022 2.401 . 0 0 "[ . 1 . 2]" 1
880 1 89 ILE HA 1 89 ILE MG . . 3.280 2.442 2.307 2.654 . 0 0 "[ . 1 . 2]" 1
881 1 89 ILE HA 1 90 ASN H . . 2.880 2.255 2.021 2.529 . 0 0 "[ . 1 . 2]" 1
882 1 89 ILE HA 1 90 ASN HA . . 4.330 4.401 4.327 4.416 0.086 16 0 "[ . 1 . 2]" 1
883 1 89 ILE HB 1 89 ILE MD . . 3.490 3.284 3.251 3.316 . 0 0 "[ . 1 . 2]" 1
884 1 89 ILE HB 1 90 ASN H . . 4.370 3.885 3.317 4.284 . 0 0 "[ . 1 . 2]" 1
885 1 89 ILE MD 1 89 ILE MG . . 2.880 2.124 2.068 2.179 . 0 0 "[ . 1 . 2]" 1
886 1 89 ILE MD 1 90 ASN H . . 3.990 3.695 3.226 3.995 0.005 15 0 "[ . 1 . 2]" 1
887 1 89 ILE HG13 1 90 ASN H . . 5.500 5.119 4.747 5.539 0.039 10 0 "[ . 1 . 2]" 1
888 1 89 ILE MG 1 90 ASN H . . 3.370 2.293 1.784 2.868 . 0 0 "[ . 1 . 2]" 1
889 1 89 ILE MG 1 90 ASN HA . . 4.600 3.990 3.765 4.362 . 0 0 "[ . 1 . 2]" 1
890 1 89 ILE MG 1 90 ASN HB3 . . 4.710 4.836 4.365 5.317 0.607 3 2 "[ + . - . 2]" 1
891 1 89 ILE MG 1 93 ASP H . . 3.640 3.314 3.057 3.546 . 0 0 "[ . 1 . 2]" 1
892 1 89 ILE MG 1 93 ASP HB3 . . 3.480 2.513 2.079 3.592 0.112 4 0 "[ . 1 . 2]" 1
893 1 89 ILE MG 1 94 VAL H . . 4.410 3.746 3.149 4.383 . 0 0 "[ . 1 . 2]" 1
894 1 89 ILE MG 1 94 VAL HA . . 3.820 3.292 2.429 3.920 0.100 20 0 "[ . 1 . 2]" 1
895 1 90 ASN H 1 90 ASN HB3 . . 4.100 3.577 3.240 3.753 . 0 0 "[ . 1 . 2]" 1
896 1 90 ASN H 1 90 ASN HD21 . . 5.270 4.189 2.975 5.185 . 0 0 "[ . 1 . 2]" 1
897 1 90 ASN H 1 90 ASN HD22 . . 5.500 4.969 3.943 5.568 0.068 12 0 "[ . 1 . 2]" 1
898 1 90 ASN H 1 93 ASP H . . 4.280 4.124 3.546 4.356 0.076 1 0 "[ . 1 . 2]" 1
899 1 90 ASN H 1 93 ASP HB3 . . 4.990 4.460 3.326 5.244 0.254 9 0 "[ . 1 . 2]" 1
900 1 90 ASN HA 1 90 ASN HD22 . . 5.480 4.190 3.268 4.724 . 0 0 "[ . 1 . 2]" 1
901 1 90 ASN HA 1 91 ASN H . . 2.800 2.361 2.217 2.509 . 0 0 "[ . 1 . 2]" 1
902 1 90 ASN HA 1 92 GLU H . . 5.500 4.268 3.917 4.539 . 0 0 "[ . 1 . 2]" 1
903 1 90 ASN HB3 1 90 ASN HD21 . . 3.330 2.808 2.166 3.502 0.172 20 0 "[ . 1 . 2]" 1
904 1 90 ASN HB3 1 92 GLU HG3 . . 4.860 3.981 2.468 5.326 0.466 3 0 "[ . 1 . 2]" 1
905 1 90 ASN HB3 1 93 ASP H . . 4.230 4.475 3.698 5.250 1.020 3 6 "[ + .** -* . * 2]" 1
906 1 91 ASN H 1 91 ASN HB3 . . 3.030 2.856 2.266 3.685 0.655 20 5 "[ .- * ** . +]" 1
907 1 91 ASN H 1 91 ASN HD21 . . 4.110 3.439 2.103 4.205 0.095 1 0 "[ . 1 . 2]" 1
908 1 91 ASN H 1 91 ASN HD22 . . 5.500 4.400 3.477 5.510 0.010 15 0 "[ . 1 . 2]" 1
909 1 91 ASN HA 1 91 ASN HD21 . . 4.340 3.912 2.702 4.417 0.077 20 0 "[ . 1 . 2]" 1
910 1 91 ASN HA 1 91 ASN HD22 . . 5.180 4.712 3.708 5.253 0.073 9 0 "[ . 1 . 2]" 1
911 1 91 ASN HA 1 93 ASP H . . 5.010 3.709 3.390 4.284 . 0 0 "[ . 1 . 2]" 1
912 1 91 ASN HA 1 94 VAL H . . 4.250 3.128 2.733 3.862 . 0 0 "[ . 1 . 2]" 1
913 1 91 ASN HA 1 94 VAL HB . . 3.720 2.242 2.057 2.512 . 0 0 "[ . 1 . 2]" 1
914 1 91 ASN HA 1 94 VAL QG . . 4.040 2.105 1.935 2.309 . 0 0 "[ . 1 . 2]" 1
915 1 91 ASN HA 1 95 ASP H . . 5.270 4.184 3.812 4.510 . 0 0 "[ . 1 . 2]" 1
916 1 91 ASN HB3 1 91 ASN HD21 . . 3.510 2.726 2.218 3.487 . 0 0 "[ . 1 . 2]" 1
917 1 91 ASN HB3 1 93 ASP H . . 5.460 5.348 4.905 5.897 0.437 10 0 "[ . 1 . 2]" 1
918 1 91 ASN HB3 1 94 VAL HB . . 4.500 4.213 3.297 4.766 0.266 4 0 "[ . 1 . 2]" 1
919 1 91 ASN HB3 1 94 VAL QG . . 4.650 3.865 3.455 4.506 . 0 0 "[ . 1 . 2]" 1
920 1 92 GLU H 1 92 GLU HB3 . . 3.380 2.546 2.264 3.574 0.194 20 0 "[ . 1 . 2]" 1
921 1 92 GLU H 1 92 GLU HG3 . . 3.560 3.159 2.458 3.626 0.066 5 0 "[ . 1 . 2]" 1
922 1 92 GLU H 1 93 ASP H . . 3.210 2.777 2.575 2.960 . 0 0 "[ . 1 . 2]" 1
923 1 92 GLU H 1 94 VAL H . . 4.810 4.243 3.972 4.825 0.015 9 0 "[ . 1 . 2]" 1
924 1 92 GLU H 1 94 VAL QG . . 5.500 4.238 4.049 4.418 . 0 0 "[ . 1 . 2]" 1
925 1 92 GLU HA 1 92 GLU HB3 . . 2.990 2.465 2.239 2.563 . 0 0 "[ . 1 . 2]" 1
926 1 92 GLU HA 1 93 ASP H . . 3.560 3.465 3.376 3.593 0.033 4 0 "[ . 1 . 2]" 1
927 1 92 GLU HB3 1 93 ASP H . . 3.970 3.930 2.869 4.055 0.085 7 0 "[ . 1 . 2]" 1
928 1 92 GLU HG3 1 93 ASP H . . 3.880 2.732 2.069 3.910 0.030 20 0 "[ . 1 . 2]" 1
929 1 93 ASP H 1 93 ASP HB3 . . 3.240 3.142 2.731 3.798 0.558 9 1 "[ . +1 . 2]" 1
930 1 93 ASP H 1 94 VAL H . . 3.050 2.437 2.070 2.967 . 0 0 "[ . 1 . 2]" 1
931 1 93 ASP H 1 94 VAL HB . . 4.610 4.264 3.926 4.672 0.062 20 0 "[ . 1 . 2]" 1
932 1 93 ASP HA 1 94 VAL H . . 3.530 3.178 2.713 3.413 . 0 0 "[ . 1 . 2]" 1
933 1 93 ASP HA 1 94 VAL HB . . 5.430 5.451 5.218 5.515 0.085 8 0 "[ . 1 . 2]" 1
934 1 93 ASP HA 1 95 ASP H . . 5.010 4.446 4.025 5.074 0.064 9 0 "[ . 1 . 2]" 1
935 1 93 ASP HA 1 96 ALA MB . . 3.560 3.272 2.448 3.641 0.081 9 0 "[ . 1 . 2]" 1
936 1 93 ASP HA 1 97 LEU H . . 5.500 4.171 3.761 4.495 . 0 0 "[ . 1 . 2]" 1
937 1 93 ASP HB3 1 94 VAL H . . 4.710 4.004 3.361 4.667 . 0 0 "[ . 1 . 2]" 1
938 1 94 VAL H 1 94 VAL HB . . 3.130 2.358 2.178 2.740 . 0 0 "[ . 1 . 2]" 1
939 1 94 VAL H 1 94 VAL QG . . 3.860 2.559 2.262 2.938 . 0 0 "[ . 1 . 2]" 1
940 1 94 VAL H 1 95 ASP H . . 3.490 2.337 2.067 2.717 . 0 0 "[ . 1 . 2]" 1
941 1 94 VAL H 1 95 ASP HB3 . . 4.890 5.475 5.120 5.531 0.641 6 17 "[*****+** **- *.*****]" 1
942 1 94 VAL H 1 96 ALA MB . . 5.500 4.802 3.941 5.154 . 0 0 "[ . 1 . 2]" 1
943 1 94 VAL HA 1 94 VAL QG . . 3.190 2.171 2.126 2.228 . 0 0 "[ . 1 . 2]" 1
944 1 94 VAL HA 1 96 ALA MB . . 5.500 5.382 4.933 5.583 0.083 16 0 "[ . 1 . 2]" 1
945 1 94 VAL HA 1 97 LEU H . . 4.100 3.599 3.091 3.849 . 0 0 "[ . 1 . 2]" 1
946 1 94 VAL HA 1 97 LEU HB3 . . 4.000 3.677 2.667 4.103 0.103 20 0 "[ . 1 . 2]" 1
947 1 94 VAL HA 1 97 LEU QD . . 3.680 3.005 2.372 3.692 0.012 12 0 "[ . 1 . 2]" 1
948 1 94 VAL HA 1 98 MET H . . 4.510 4.163 3.730 4.578 0.068 10 0 "[ . 1 . 2]" 1
949 1 94 VAL HB 1 95 ASP H . . 3.360 2.513 2.338 2.746 . 0 0 "[ . 1 . 2]" 1
950 1 94 VAL QG 1 95 ASP H . . 3.720 3.064 2.876 3.204 . 0 0 "[ . 1 . 2]" 1
951 1 94 VAL QG 1 95 ASP HA . . 3.970 3.267 2.715 3.725 . 0 0 "[ . 1 . 2]" 1
952 1 94 VAL QG 1 96 ALA H . . 5.190 4.683 4.503 4.911 . 0 0 "[ . 1 . 2]" 1
953 1 94 VAL QG 1 97 LEU H . . 4.950 4.483 4.191 4.637 . 0 0 "[ . 1 . 2]" 1
954 1 94 VAL QG 1 98 MET HG3 . . 3.650 3.081 2.219 3.736 0.086 10 0 "[ . 1 . 2]" 1
955 1 95 ASP H 1 95 ASP HB3 . . 2.940 3.397 3.125 3.549 0.609 18 7 "[ * * * 1 * . -+*2]" 1
956 1 95 ASP H 1 96 ALA H . . 3.500 2.754 2.558 2.851 . 0 0 "[ . 1 . 2]" 1
957 1 95 ASP H 1 96 ALA MB . . 4.350 4.420 4.220 4.447 0.097 2 0 "[ . 1 . 2]" 1
958 1 95 ASP H 1 97 LEU H . . 4.970 4.109 3.857 4.306 . 0 0 "[ . 1 . 2]" 1
959 1 95 ASP HA 1 97 LEU H . . 4.630 4.504 4.237 4.713 0.083 11 0 "[ . 1 . 2]" 1
960 1 95 ASP HB3 1 96 ALA H . . 3.300 2.887 2.328 3.301 0.001 7 0 "[ . 1 . 2]" 1
961 1 95 ASP HB3 1 96 ALA HA . . 4.620 3.729 3.238 4.204 . 0 0 "[ . 1 . 2]" 1
962 1 95 ASP HB3 1 96 ALA MB . . 4.390 3.791 3.229 4.548 0.158 18 0 "[ . 1 . 2]" 1
963 1 95 ASP HB3 1 97 LEU H . . 5.030 5.114 4.594 5.464 0.434 7 0 "[ . 1 . 2]" 1
964 1 96 ALA H 1 96 ALA MB . . 2.790 2.218 2.165 2.321 . 0 0 "[ . 1 . 2]" 1
965 1 96 ALA H 1 97 LEU H . . 3.340 2.630 2.204 2.844 . 0 0 "[ . 1 . 2]" 1
966 1 96 ALA HA 1 99 LYS H . . 3.980 3.184 2.915 3.532 . 0 0 "[ . 1 . 2]" 1
967 1 96 ALA MB 1 97 LEU H . . 3.250 2.818 2.550 3.245 . 0 0 "[ . 1 . 2]" 1
968 1 96 ALA MB 1 98 MET H . . 4.840 4.642 4.330 4.825 . 0 0 "[ . 1 . 2]" 1
969 1 96 ALA MB 1 99 LYS H . . 4.230 4.333 4.309 4.353 0.123 16 0 "[ . 1 . 2]" 1
970 1 97 LEU H 1 97 LEU HB3 . . 3.220 3.091 1.798 3.558 0.338 8 0 "[ . 1 . 2]" 1
971 1 97 LEU H 1 97 LEU QD . . 4.060 3.253 2.162 3.695 . 0 0 "[ . 1 . 2]" 1
972 1 97 LEU H 1 97 LEU HG . . 3.610 3.399 2.643 3.712 0.102 17 0 "[ . 1 . 2]" 1
973 1 97 LEU H 1 98 MET H . . 3.290 2.580 2.161 2.734 . 0 0 "[ . 1 . 2]" 1
974 1 97 LEU H 1 98 MET HG3 . . 5.420 5.184 4.876 5.473 0.053 14 0 "[ . 1 . 2]" 1
975 1 97 LEU HA 1 97 LEU QD . . 3.080 2.127 1.978 2.439 . 0 0 "[ . 1 . 2]" 1
976 1 97 LEU HA 1 99 LYS H . . 5.070 4.178 3.696 4.684 . 0 0 "[ . 1 . 2]" 1
977 1 97 LEU HA 1 101 LEU QD . . 5.500 4.123 3.504 4.980 . 0 0 "[ . 1 . 2]" 1
978 1 97 LEU HB3 1 98 MET H . . 3.540 2.938 2.206 3.605 0.065 11 0 "[ . 1 . 2]" 1
979 1 97 LEU QD 1 98 MET HA . . 5.500 4.535 3.345 5.087 . 0 0 "[ . 1 . 2]" 1
980 1 97 LEU QD 1 101 LEU QD . . 3.540 2.705 1.975 3.506 . 0 0 "[ . 1 . 2]" 1
981 1 98 MET H 1 98 MET HB3 . . 3.560 3.602 3.534 3.635 0.075 17 0 "[ . 1 . 2]" 1
982 1 98 MET H 1 98 MET ME . . 4.130 3.822 3.364 4.142 0.012 20 0 "[ . 1 . 2]" 1
983 1 98 MET H 1 98 MET HG3 . . 3.390 3.141 2.973 3.379 . 0 0 "[ . 1 . 2]" 1
984 1 98 MET H 1 99 LYS H . . 3.320 2.832 2.378 2.998 . 0 0 "[ . 1 . 2]" 1
985 1 98 MET H 1 100 SER H . . 4.680 4.272 3.763 4.506 . 0 0 "[ . 1 . 2]" 1
986 1 98 MET H 1 101 LEU H . . 5.380 5.139 4.557 5.433 0.053 18 0 "[ . 1 . 2]" 1
987 1 98 MET H 1 101 LEU QD . . 5.500 4.469 3.898 5.091 . 0 0 "[ . 1 . 2]" 1
988 1 98 MET HA 1 98 MET ME . . 3.480 2.062 1.955 2.274 . 0 0 "[ . 1 . 2]" 1
989 1 98 MET HA 1 98 MET HG3 . . 3.890 3.788 3.716 3.928 0.038 10 0 "[ . 1 . 2]" 1
990 1 98 MET HA 1 100 SER H . . 4.140 4.051 3.690 4.218 0.078 6 0 "[ . 1 . 2]" 1
991 1 98 MET HA 1 101 LEU QD . . 3.500 3.059 2.479 3.463 . 0 0 "[ . 1 . 2]" 1
992 1 98 MET HB3 1 98 MET ME . . 2.590 2.655 2.556 2.687 0.097 6 0 "[ . 1 . 2]" 1
993 1 98 MET HB3 1 99 LYS H . . 4.040 3.946 3.624 4.118 0.078 19 0 "[ . 1 . 2]" 1
994 1 98 MET ME 1 99 LYS H . . 5.160 5.024 4.908 5.208 0.048 20 0 "[ . 1 . 2]" 1
995 1 98 MET ME 1 101 LEU H . . 4.730 4.424 4.032 4.834 0.104 7 0 "[ . 1 . 2]" 1
996 1 98 MET ME 1 101 LEU QD . . 3.630 2.776 2.088 3.428 . 0 0 "[ . 1 . 2]" 1
997 1 98 MET HG3 1 99 LYS H . . 5.120 4.961 4.467 5.172 0.052 19 0 "[ . 1 . 2]" 1
998 1 99 LYS H 1 99 LYS HG3 . . 3.830 2.954 2.079 3.860 0.030 19 0 "[ . 1 . 2]" 1
999 1 99 LYS H 1 100 SER H . . 3.230 2.621 2.243 2.853 . 0 0 "[ . 1 . 2]" 1
1000 1 99 LYS HA 1 99 LYS HG3 . . 4.210 3.550 2.687 3.878 . 0 0 "[ . 1 . 2]" 1
1001 1 99 LYS HA 1 101 LEU H . . 4.040 3.806 3.300 4.117 0.077 6 0 "[ . 1 . 2]" 1
1002 1 99 LYS HA 1 102 GLN H . . 4.000 3.688 3.287 4.080 0.080 19 0 "[ . 1 . 2]" 1
1003 1 99 LYS HA 1 102 GLN HB3 . . 4.480 3.137 2.268 4.352 . 0 0 "[ . 1 . 2]" 1
1004 1 99 LYS HA 1 102 GLN HE21 . . 4.830 4.228 2.349 4.913 0.083 13 0 "[ . 1 . 2]" 1
1005 1 99 LYS HG3 1 100 SER H . . 5.500 4.192 2.233 5.435 . 0 0 "[ . 1 . 2]" 1
1006 1 100 SER H 1 101 LEU H . . 3.230 2.519 2.257 2.818 . 0 0 "[ . 1 . 2]" 1
1007 1 100 SER H 1 101 LEU HG . . 5.090 4.057 3.473 5.163 0.073 2 0 "[ . 1 . 2]" 1
1008 1 100 SER HA 1 102 GLN H . . 4.560 4.197 3.917 4.618 0.058 18 0 "[ . 1 . 2]" 1
1009 1 101 LEU H 1 101 LEU HB3 . . 3.780 3.620 3.059 3.790 0.010 4 0 "[ . 1 . 2]" 1
1010 1 101 LEU H 1 101 LEU QD . . 3.790 3.167 2.039 3.496 . 0 0 "[ . 1 . 2]" 1
1011 1 101 LEU H 1 101 LEU HG . . 3.380 2.817 2.350 3.451 0.071 2 0 "[ . 1 . 2]" 1
1012 1 101 LEU H 1 102 GLN H . . 3.110 2.528 2.128 3.116 0.006 11 0 "[ . 1 . 2]" 1
1013 1 101 LEU HA 1 101 LEU QD . . 2.640 2.194 1.952 2.353 . 0 0 "[ . 1 . 2]" 1
1014 1 101 LEU HA 1 101 LEU HG . . 3.650 3.200 2.885 3.721 0.071 5 0 "[ . 1 . 2]" 1
1015 1 101 LEU HB3 1 102 GLN H . . 4.550 4.288 3.029 4.585 0.035 16 0 "[ . 1 . 2]" 1
1016 1 101 LEU QD 1 102 GLN H . . 5.070 4.382 3.837 4.592 . 0 0 "[ . 1 . 2]" 1
1017 1 101 LEU HG 1 102 GLN H . . 4.820 4.836 4.594 4.917 0.097 2 0 "[ . 1 . 2]" 1
1018 1 102 GLN H 1 102 GLN HA . . 2.920 2.888 2.777 2.977 0.057 19 0 "[ . 1 . 2]" 1
1019 1 102 GLN H 1 102 GLN HB3 . . 3.090 2.792 2.030 3.627 0.537 5 1 "[ + 1 . 2]" 1
1020 1 102 GLN H 1 102 GLN HE21 . . 4.490 4.187 3.105 4.564 0.074 19 0 "[ . 1 . 2]" 1
1021 1 102 GLN H 1 102 GLN HG3 . . 3.610 2.547 1.808 3.863 0.253 16 0 "[ . 1 . 2]" 1
1022 1 102 GLN H 1 103 VAL H . . 3.290 3.273 2.801 3.382 0.092 16 0 "[ . 1 . 2]" 1
1023 1 102 GLN H 1 103 VAL HA . . 5.180 5.129 4.808 5.284 0.104 2 0 "[ . 1 . 2]" 1
1024 1 102 GLN H 1 103 VAL QG . . 5.010 3.437 2.837 3.944 . 0 0 "[ . 1 . 2]" 1
1025 1 102 GLN HA 1 102 GLN HE21 . . 5.500 4.918 2.870 5.570 0.070 11 0 "[ . 1 . 2]" 1
1026 1 102 GLN HA 1 103 VAL H . . 2.830 2.708 2.225 2.911 0.081 19 0 "[ . 1 . 2]" 1
1027 1 103 VAL H 1 103 VAL HB . . 3.340 3.050 2.441 3.413 0.073 7 0 "[ . 1 . 2]" 1
1028 1 103 VAL H 1 103 VAL QG . . 3.080 2.279 1.914 2.664 . 0 0 "[ . 1 . 2]" 1
1029 1 103 VAL H 1 104 LYS H . . 3.550 3.530 3.096 3.634 0.084 2 0 "[ . 1 . 2]" 1
1030 1 103 VAL HA 1 103 VAL QG . . 3.150 2.260 2.089 2.404 . 0 0 "[ . 1 . 2]" 1
1031 1 103 VAL HA 1 104 LYS H . . 2.760 2.384 2.128 2.842 0.082 14 0 "[ . 1 . 2]" 1
1032 1 103 VAL QG 1 104 LYS H . . 4.420 3.589 3.386 3.904 . 0 0 "[ . 1 . 2]" 1
1033 1 103 VAL QG 1 105 SER H . . 5.360 4.698 2.908 5.282 . 0 0 "[ . 1 . 2]" 1
1034 1 104 LYS H 1 104 LYS HB3 . . 3.380 2.947 2.477 3.591 0.211 13 0 "[ . 1 . 2]" 1
1035 1 104 LYS HA 1 104 LYS HG3 . . 3.760 2.976 2.259 4.244 0.484 6 0 "[ . 1 . 2]" 1
1036 1 104 LYS HA 1 105 SER H . . 2.920 2.325 2.079 2.698 . 0 0 "[ . 1 . 2]" 1
1037 1 104 LYS HB3 1 105 SER H . . 4.930 4.031 2.658 4.543 . 0 0 "[ . 1 . 2]" 1
1038 1 104 LYS HG3 1 105 SER H . . 4.340 4.034 2.768 5.437 1.097 16 3 "[ * . 1 -.+ 2]" 1
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