NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
476958 |
2l1t   |
17105 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2l1t
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 1909
_Distance_constraint_stats_list.Viol_count 4046
_Distance_constraint_stats_list.Viol_total 6983.774
_Distance_constraint_stats_list.Viol_max 0.950
_Distance_constraint_stats_list.Viol_rms 0.0411
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0091
_Distance_constraint_stats_list.Viol_average_violations_only 0.0863
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 3 SER 0.075 0.075 16 0 "[ . 1 . 2]"
1 4 ALA 0.075 0.075 16 0 "[ . 1 . 2]"
1 5 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 6 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 SER 1.949 0.125 10 0 "[ . 1 . 2]"
1 8 GLU 1.527 0.114 19 0 "[ . 1 . 2]"
1 9 TYR 8.647 0.125 10 0 "[ . 1 . 2]"
1 10 GLY 2.686 0.084 11 0 "[ . 1 . 2]"
1 11 ARG 2.777 0.114 19 0 "[ . 1 . 2]"
1 12 TYR 6.904 0.145 20 0 "[ . 1 . 2]"
1 13 PHE 7.119 0.117 4 0 "[ . 1 . 2]"
1 14 GLU 7.933 0.312 13 0 "[ . 1 . 2]"
1 15 GLN 13.852 0.312 13 0 "[ . 1 . 2]"
1 16 LEU 5.550 0.111 4 0 "[ . 1 . 2]"
1 17 GLN 8.188 0.137 14 0 "[ . 1 . 2]"
1 18 LYS 6.565 0.801 4 4 "[ - +* * 1 . 2]"
1 19 VAL 6.022 0.502 8 1 "[ . + 1 . 2]"
1 20 ASN 6.405 0.502 8 1 "[ . + 1 . 2]"
1 21 LEU 5.055 0.796 15 2 "[- . 1 + 2]"
1 22 THR 6.680 0.339 15 0 "[ . 1 . 2]"
1 23 VAL 13.697 0.792 19 1 "[ . 1 . +2]"
1 24 ARG 5.351 0.506 19 1 "[ . 1 . +2]"
1 25 LEU 7.230 0.506 19 1 "[ . 1 . +2]"
1 26 GLY 0.932 0.190 1 0 "[ . 1 . 2]"
1 27 ASP 2.157 0.669 17 1 "[ . 1 . + 2]"
1 28 THR 0.511 0.168 11 0 "[ . 1 . 2]"
1 29 GLY 3.599 0.669 17 1 "[ . 1 . + 2]"
1 30 SER 7.457 0.483 1 0 "[ . 1 . 2]"
1 31 PHE 9.819 0.770 15 2 "[ . 1 + -2]"
1 32 ASP 9.059 0.796 15 3 "[- . 1 + *2]"
1 33 GLY 4.185 0.371 1 0 "[ . 1 . 2]"
1 34 THR 7.732 0.801 4 4 "[ - +* * 1 . 2]"
1 35 ALA 4.801 0.639 4 1 "[ +. 1 . 2]"
1 36 ALA 5.030 0.115 7 0 "[ . 1 . 2]"
1 37 ILE 5.477 0.148 17 0 "[ . 1 . 2]"
1 38 THR 6.892 0.130 8 0 "[ . 1 . 2]"
1 39 SER 3.569 0.117 10 0 "[ . 1 . 2]"
1 40 LEU 2.495 0.272 2 0 "[ . 1 . 2]"
1 41 LYS 6.382 0.336 1 0 "[ . 1 . 2]"
1 42 GLY 1.210 0.089 13 0 "[ . 1 . 2]"
1 43 SER 2.641 0.100 3 0 "[ . 1 . 2]"
1 44 LEU 7.275 0.336 1 0 "[ . 1 . 2]"
1 45 ALA 2.252 0.091 5 0 "[ . 1 . 2]"
1 46 TRP 10.176 0.113 18 0 "[ . 1 . 2]"
1 47 LEU 2.422 0.093 18 0 "[ . 1 . 2]"
1 48 GLU 8.548 0.639 4 1 "[ +. 1 . 2]"
1 49 LEU 6.786 0.108 4 0 "[ . 1 . 2]"
1 50 PHE 8.374 0.357 16 0 "[ . 1 . 2]"
1 51 GLY 2.963 0.357 16 0 "[ . 1 . 2]"
1 52 ALA 4.477 0.798 14 3 "[ .- 1 * +. 2]"
1 53 GLU 13.298 0.943 17 8 "[ * -* *1 * ** + 2]"
1 54 GLN 8.957 0.640 20 2 "[ - . 1 . +]"
1 55 PRO 4.007 0.095 20 0 "[ . 1 . 2]"
1 56 PRO 5.861 0.375 12 0 "[ . 1 . 2]"
1 57 PRO 2.185 0.380 19 0 "[ . 1 . 2]"
1 58 ASN 2.965 0.380 19 0 "[ . 1 . 2]"
1 59 THR 8.144 0.375 12 0 "[ . 1 . 2]"
1 60 LEU 2.234 0.096 12 0 "[ . 1 . 2]"
1 61 SER 12.139 0.950 16 3 "[ . -1 .+ *2]"
1 62 GLU 11.317 0.950 16 3 "[ . *1 .+ -2]"
1 63 GLY 5.983 0.098 16 0 "[ . 1 . 2]"
1 64 ALA 9.887 0.558 9 1 "[ . +1 . 2]"
1 65 GLU 13.113 0.676 15 2 "[ . 1 + - 2]"
1 66 VAL 9.580 0.676 15 2 "[ . 1 + - 2]"
1 67 SER 5.258 0.339 15 0 "[ . 1 . 2]"
1 68 VAL 5.622 0.139 15 0 "[ . 1 . 2]"
1 69 SER 5.373 0.387 5 0 "[ . 1 . 2]"
1 70 VAL 2.859 0.111 6 0 "[ . 1 . 2]"
1 71 TRP 5.994 0.104 9 0 "[ . 1 . 2]"
1 72 THR 2.323 0.121 12 0 "[ . 1 . 2]"
1 73 GLY 0.284 0.099 1 0 "[ . 1 . 2]"
1 74 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 75 ALA 3.181 0.129 4 0 "[ . 1 . 2]"
1 76 LEU 7.057 0.637 4 1 "[ +. 1 . 2]"
1 77 CYS 3.145 0.106 13 0 "[ . 1 . 2]"
1 78 ARG 3.984 0.109 1 0 "[ . 1 . 2]"
1 79 CYS 4.595 0.168 13 0 "[ . 1 . 2]"
1 80 ASP 1.554 0.083 8 0 "[ . 1 . 2]"
1 81 GLY 2.863 0.101 2 0 "[ . 1 . 2]"
1 82 ARG 13.137 0.539 3 3 "[- + . 1 * 2]"
1 83 VAL 10.129 0.142 13 0 "[ . 1 . 2]"
1 84 GLU 8.431 0.463 18 0 "[ . 1 . 2]"
1 85 THR 3.637 0.103 1 0 "[ . 1 . 2]"
1 86 LEU 7.848 0.639 5 1 "[ + 1 . 2]"
1 87 ARG 10.192 0.578 3 3 "[ + . 1 . - *]"
1 88 ASP 2.346 0.092 18 0 "[ . 1 . 2]"
1 89 ASP 7.653 0.793 3 3 "[ -+ . 1 . *]"
1 90 ARG 7.111 0.793 3 1 "[ + . 1 . 2]"
1 91 GLN 6.229 0.578 3 1 "[ + . 1 . 2]"
1 92 PHE 12.561 0.639 5 1 "[ + 1 . 2]"
1 93 ALA 3.286 0.113 18 0 "[ . 1 . 2]"
1 94 ILE 7.940 0.104 7 0 "[ . 1 . 2]"
1 95 ARG 11.452 0.812 12 5 "[ * * 1 + -.* 2]"
1 96 LEU 2.040 0.321 16 0 "[ . 1 . 2]"
1 97 VAL 8.925 0.812 12 4 "[ - * 1 + .* 2]"
1 98 GLY 3.075 0.378 19 0 "[ . 1 . 2]"
1 99 ARG 12.916 0.536 5 5 "[ * *+ * . -2]"
1 100 VAL 8.538 0.536 5 5 "[ * *+ * . -2]"
1 101 ARG 2.999 0.125 17 0 "[ . 1 . 2]"
1 102 GLU 4.725 0.475 17 0 "[ . 1 . 2]"
1 103 LEU 13.495 0.826 20 6 "[ -. *1* * . *+]"
1 104 GLN 10.512 0.826 20 6 "[ -. *1* * . *+]"
1 105 ARG 3.401 0.637 4 1 "[ +. 1 . 2]"
1 106 ARG 2.636 0.104 9 0 "[ . 1 . 2]"
1 107 GLU 1.446 0.184 3 0 "[ . 1 . 2]"
1 108 TYR 5.439 0.505 11 1 "[ . 1+ . 2]"
1 109 PHE 4.748 0.505 11 1 "[ . 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 3 SER HA 1 4 ALA MB . . 4.950 4.226 3.641 5.025 0.075 16 0 "[ . 1 . 2]" 1
2 1 3 SER QB 1 4 ALA MB . . 4.990 4.284 3.376 4.842 . 0 0 "[ . 1 . 2]" 1
3 1 4 ALA MB 1 5 ASP H . . 5.090 2.968 1.992 3.730 . 0 0 "[ . 1 . 2]" 1
4 1 4 ALA MB 1 5 ASP HA . . 5.210 4.342 3.974 5.154 . 0 0 "[ . 1 . 2]" 1
5 1 6 GLY QA 1 9 TYR QD . . 4.660 3.776 2.327 4.540 . 0 0 "[ . 1 . 2]" 1
6 1 6 GLY QA 1 9 TYR QE . . 4.840 2.784 2.031 4.240 . 0 0 "[ . 1 . 2]" 1
7 1 7 SER HA 1 7 SER QB . . 2.780 2.405 2.156 2.544 . 0 0 "[ . 1 . 2]" 1
8 1 7 SER HA 1 9 TYR H . . 4.900 3.618 2.865 4.860 . 0 0 "[ . 1 . 2]" 1
9 1 7 SER QB 1 8 GLU H . . 5.170 2.841 1.844 3.823 . 0 0 "[ . 1 . 2]" 1
10 1 7 SER QB 1 8 GLU HA . . 4.530 4.379 3.934 4.621 0.091 14 0 "[ . 1 . 2]" 1
11 1 7 SER QB 1 9 TYR QE . . 5.210 4.978 2.737 5.335 0.125 10 0 "[ . 1 . 2]" 1
12 1 8 GLU H 1 9 TYR H . . 4.380 2.639 2.009 3.220 . 0 0 "[ . 1 . 2]" 1
13 1 8 GLU HA 1 8 GLU QG . . 3.830 2.530 2.153 3.549 . 0 0 "[ . 1 . 2]" 1
14 1 8 GLU HA 1 9 TYR H . . 3.330 3.291 2.998 3.396 0.066 5 0 "[ . 1 . 2]" 1
15 1 8 GLU HA 1 10 GLY H . . 4.600 4.041 3.714 4.637 0.037 7 0 "[ . 1 . 2]" 1
16 1 8 GLU HA 1 11 ARG H . . 4.590 3.585 3.143 4.158 . 0 0 "[ . 1 . 2]" 1
17 1 8 GLU HA 1 11 ARG QB . . 4.950 3.765 3.380 4.082 . 0 0 "[ . 1 . 2]" 1
18 1 8 GLU HA 1 11 ARG QD . . 4.610 3.082 1.912 4.199 . 0 0 "[ . 1 . 2]" 1
19 1 8 GLU HA 1 11 ARG QG . . 4.260 2.537 2.109 3.992 . 0 0 "[ . 1 . 2]" 1
20 1 8 GLU QB 1 9 TYR H . . 4.210 3.561 3.318 3.838 . 0 0 "[ . 1 . 2]" 1
21 1 8 GLU QB 1 11 ARG QD . . 5.120 3.297 2.141 4.680 . 0 0 "[ . 1 . 2]" 1
22 1 8 GLU QG 1 9 TYR H . . 4.840 4.364 2.964 4.915 0.075 11 0 "[ . 1 . 2]" 1
23 1 8 GLU QG 1 11 ARG QD . . 4.990 3.138 1.888 5.104 0.114 19 0 "[ . 1 . 2]" 1
24 1 9 TYR H 1 9 TYR HB2 . . 3.550 2.693 2.449 3.013 . 0 0 "[ . 1 . 2]" 1
25 1 9 TYR H 1 9 TYR HB3 . . 3.970 3.593 3.516 3.746 . 0 0 "[ . 1 . 2]" 1
26 1 9 TYR H 1 9 TYR QD . . 3.170 2.920 2.628 3.244 0.074 13 0 "[ . 1 . 2]" 1
27 1 9 TYR H 1 10 GLY H . . 3.460 2.711 2.201 2.828 . 0 0 "[ . 1 . 2]" 1
28 1 9 TYR H 1 10 GLY HA3 . . 4.940 4.960 4.450 5.024 0.084 11 0 "[ . 1 . 2]" 1
29 1 9 TYR H 1 11 ARG H . . 5.220 4.111 3.721 4.287 . 0 0 "[ . 1 . 2]" 1
30 1 9 TYR H 1 96 LEU QD . . 5.500 4.789 4.568 5.387 . 0 0 "[ . 1 . 2]" 1
31 1 9 TYR HA 1 9 TYR QD . . 2.730 2.393 2.138 2.688 . 0 0 "[ . 1 . 2]" 1
32 1 9 TYR HA 1 12 TYR H . . 4.320 3.792 3.580 3.970 . 0 0 "[ . 1 . 2]" 1
33 1 9 TYR HA 1 12 TYR HB3 . . 5.500 5.284 4.934 5.574 0.074 7 0 "[ . 1 . 2]" 1
34 1 9 TYR HA 1 12 TYR QD . . 3.270 3.034 2.248 3.353 0.083 20 0 "[ . 1 . 2]" 1
35 1 9 TYR HA 1 12 TYR QE . . 4.640 4.009 3.284 4.731 0.091 3 0 "[ . 1 . 2]" 1
36 1 9 TYR HA 1 13 PHE QD . . 3.770 3.207 2.797 3.821 0.051 6 0 "[ . 1 . 2]" 1
37 1 9 TYR HA 1 96 LEU QD . . 5.460 3.960 3.378 4.886 . 0 0 "[ . 1 . 2]" 1
38 1 9 TYR HA 1 100 VAL QG . . 3.920 2.504 2.136 2.831 . 0 0 "[ . 1 . 2]" 1
39 1 9 TYR HB2 1 10 GLY H . . 4.100 2.610 2.424 2.835 . 0 0 "[ . 1 . 2]" 1
40 1 9 TYR HB2 1 40 LEU QD . . 3.920 3.583 3.264 3.911 . 0 0 "[ . 1 . 2]" 1
41 1 9 TYR HB2 1 43 SER HA . . 4.440 4.291 3.790 4.516 0.076 9 0 "[ . 1 . 2]" 1
42 1 9 TYR HB2 1 96 LEU QD . . 4.040 3.025 2.673 3.494 . 0 0 "[ . 1 . 2]" 1
43 1 9 TYR HB3 1 10 GLY H . . 4.610 3.802 3.573 4.045 . 0 0 "[ . 1 . 2]" 1
44 1 9 TYR HB3 1 13 PHE H . . 5.500 4.629 4.450 4.820 . 0 0 "[ . 1 . 2]" 1
45 1 9 TYR HB3 1 13 PHE QD . . 3.280 2.463 2.100 3.138 . 0 0 "[ . 1 . 2]" 1
46 1 9 TYR HB3 1 13 PHE QE . . 4.610 3.398 2.845 4.464 . 0 0 "[ . 1 . 2]" 1
47 1 9 TYR HB3 1 40 LEU QD . . 4.390 3.820 3.277 4.307 . 0 0 "[ . 1 . 2]" 1
48 1 9 TYR HB3 1 96 LEU QB . . 5.140 3.960 3.495 4.495 . 0 0 "[ . 1 . 2]" 1
49 1 9 TYR HB3 1 96 LEU QD . . 3.760 2.266 2.038 3.106 . 0 0 "[ . 1 . 2]" 1
50 1 9 TYR HB3 1 100 VAL QG . . 5.500 3.414 2.675 4.121 . 0 0 "[ . 1 . 2]" 1
51 1 9 TYR QD 1 10 GLY H . . 4.470 4.248 3.823 4.446 . 0 0 "[ . 1 . 2]" 1
52 1 9 TYR QD 1 43 SER H . . 5.500 3.723 2.943 4.775 . 0 0 "[ . 1 . 2]" 1
53 1 9 TYR QD 1 43 SER HA . . 3.630 2.422 2.013 2.835 . 0 0 "[ . 1 . 2]" 1
54 1 9 TYR QD 1 43 SER QB . . 3.380 3.281 2.830 3.369 . 0 0 "[ . 1 . 2]" 1
55 1 9 TYR QD 1 44 LEU H . . 4.490 4.450 4.038 4.594 0.104 1 0 "[ . 1 . 2]" 1
56 1 9 TYR QD 1 96 LEU QB . . 3.600 3.092 2.607 3.660 0.060 3 0 "[ . 1 . 2]" 1
57 1 9 TYR QD 1 96 LEU QD . . 3.300 2.534 2.270 2.993 . 0 0 "[ . 1 . 2]" 1
58 1 9 TYR QD 1 100 VAL H . . 5.030 3.603 2.990 4.398 . 0 0 "[ . 1 . 2]" 1
59 1 9 TYR QD 1 100 VAL QG . . 2.930 2.062 1.852 2.267 . 0 0 "[ . 1 . 2]" 1
60 1 9 TYR QE 1 43 SER H . . 5.260 4.064 3.075 5.127 . 0 0 "[ . 1 . 2]" 1
61 1 9 TYR QE 1 43 SER HA . . 3.440 2.836 2.482 3.333 . 0 0 "[ . 1 . 2]" 1
62 1 9 TYR QE 1 43 SER QB . . 3.100 2.020 1.834 2.146 . 0 0 "[ . 1 . 2]" 1
63 1 9 TYR QE 1 44 LEU H . . 5.500 5.548 5.135 5.598 0.098 5 0 "[ . 1 . 2]" 1
64 1 9 TYR QE 1 96 LEU QB . . 3.440 2.843 2.474 3.535 0.095 14 0 "[ . 1 . 2]" 1
65 1 9 TYR QE 1 96 LEU QD . . 3.840 3.594 3.081 3.864 0.024 14 0 "[ . 1 . 2]" 1
66 1 9 TYR QE 1 98 GLY H . . 5.500 5.342 4.421 5.593 0.093 14 0 "[ . 1 . 2]" 1
67 1 9 TYR QE 1 99 ARG H . . 5.500 4.267 3.104 5.226 . 0 0 "[ . 1 . 2]" 1
68 1 9 TYR QE 1 99 ARG QD . . 5.140 4.521 2.681 5.254 0.114 16 0 "[ . 1 . 2]" 1
69 1 9 TYR QE 1 100 VAL H . . 4.280 3.050 2.244 3.745 . 0 0 "[ . 1 . 2]" 1
70 1 9 TYR QE 1 100 VAL QG . . 3.150 2.824 2.297 3.225 0.075 4 0 "[ . 1 . 2]" 1
71 1 10 GLY H 1 11 ARG H . . 3.530 2.780 2.615 2.940 . 0 0 "[ . 1 . 2]" 1
72 1 10 GLY H 1 11 ARG HA . . 5.230 5.289 5.227 5.311 0.081 17 0 "[ . 1 . 2]" 1
73 1 10 GLY H 1 11 ARG QB . . 5.500 4.924 4.619 5.158 . 0 0 "[ . 1 . 2]" 1
74 1 10 GLY H 1 12 TYR H . . 5.280 4.240 4.043 4.394 . 0 0 "[ . 1 . 2]" 1
75 1 10 GLY H 1 40 LEU QD . . 5.500 3.839 3.370 4.576 . 0 0 "[ . 1 . 2]" 1
76 1 10 GLY HA2 1 12 TYR H . . 4.810 3.554 3.173 3.963 . 0 0 "[ . 1 . 2]" 1
77 1 10 GLY HA2 1 13 PHE H . . 4.160 3.100 2.761 3.306 . 0 0 "[ . 1 . 2]" 1
78 1 10 GLY HA3 1 12 TYR H . . 4.930 4.456 4.203 4.702 . 0 0 "[ . 1 . 2]" 1
79 1 10 GLY HA3 1 13 PHE H . . 4.710 4.653 4.396 4.783 0.073 12 0 "[ . 1 . 2]" 1
80 1 11 ARG H 1 11 ARG QB . . 3.370 2.520 2.208 2.961 . 0 0 "[ . 1 . 2]" 1
81 1 11 ARG H 1 11 ARG QD . . 4.900 3.989 2.639 4.438 . 0 0 "[ . 1 . 2]" 1
82 1 11 ARG H 1 11 ARG QG . . 4.130 2.444 1.922 3.295 . 0 0 "[ . 1 . 2]" 1
83 1 11 ARG H 1 12 TYR H . . 3.460 2.327 2.116 2.719 . 0 0 "[ . 1 . 2]" 1
84 1 11 ARG H 1 12 TYR QD . . 4.740 4.211 2.914 4.761 0.021 7 0 "[ . 1 . 2]" 1
85 1 11 ARG H 1 13 PHE H . . 4.560 3.931 3.586 4.288 . 0 0 "[ . 1 . 2]" 1
86 1 11 ARG HA 1 11 ARG QD . . 4.410 3.953 3.263 4.488 0.078 13 0 "[ . 1 . 2]" 1
87 1 11 ARG HA 1 11 ARG QG . . 3.740 2.642 2.189 3.392 . 0 0 "[ . 1 . 2]" 1
88 1 11 ARG HA 1 12 TYR QD . . 4.860 4.522 4.253 4.815 . 0 0 "[ . 1 . 2]" 1
89 1 11 ARG HA 1 13 PHE H . . 5.050 5.021 4.786 5.140 0.090 19 0 "[ . 1 . 2]" 1
90 1 11 ARG QB 1 12 TYR H . . 4.330 3.218 2.671 3.740 . 0 0 "[ . 1 . 2]" 1
91 1 11 ARG QB 1 12 TYR QD . . 4.080 2.908 2.541 3.403 . 0 0 "[ . 1 . 2]" 1
92 1 11 ARG QB 1 12 TYR QE . . 4.000 2.956 2.591 3.843 . 0 0 "[ . 1 . 2]" 1
93 1 11 ARG QD 1 12 TYR QD . . 5.500 4.638 3.159 5.358 . 0 0 "[ . 1 . 2]" 1
94 1 11 ARG QD 1 12 TYR QE . . 4.020 3.698 2.206 4.128 0.108 12 0 "[ . 1 . 2]" 1
95 1 11 ARG QG 1 12 TYR QD . . 5.270 4.272 2.872 4.772 . 0 0 "[ . 1 . 2]" 1
96 1 11 ARG QG 1 12 TYR QE . . 4.570 4.106 3.070 4.458 . 0 0 "[ . 1 . 2]" 1
97 1 12 TYR H 1 12 TYR HB2 . . 3.880 2.619 2.434 2.792 . 0 0 "[ . 1 . 2]" 1
98 1 12 TYR H 1 12 TYR HB3 . . 4.050 3.665 3.588 3.758 . 0 0 "[ . 1 . 2]" 1
99 1 12 TYR H 1 12 TYR QD . . 3.120 3.153 2.382 3.223 0.103 15 0 "[ . 1 . 2]" 1
100 1 12 TYR H 1 12 TYR QE . . 5.500 4.651 4.339 4.863 . 0 0 "[ . 1 . 2]" 1
101 1 12 TYR H 1 13 PHE H . . 3.020 2.107 1.901 2.476 . 0 0 "[ . 1 . 2]" 1
102 1 12 TYR H 1 13 PHE HA . . 5.500 4.840 4.656 5.170 . 0 0 "[ . 1 . 2]" 1
103 1 12 TYR H 1 13 PHE HB2 . . 4.880 4.429 4.175 4.779 . 0 0 "[ . 1 . 2]" 1
104 1 12 TYR HA 1 12 TYR QD . . 3.080 2.459 2.148 3.118 0.038 4 0 "[ . 1 . 2]" 1
105 1 12 TYR HA 1 70 VAL QG . . 5.500 4.348 4.021 4.958 . 0 0 "[ . 1 . 2]" 1
106 1 12 TYR HA 1 72 THR MG . . 4.040 2.323 1.922 3.084 . 0 0 "[ . 1 . 2]" 1
107 1 12 TYR HB2 1 13 PHE H . . 4.220 2.515 2.347 2.698 . 0 0 "[ . 1 . 2]" 1
108 1 12 TYR HB2 1 13 PHE HA . . 4.530 4.330 4.020 4.570 0.040 4 0 "[ . 1 . 2]" 1
109 1 12 TYR HB2 1 13 PHE QD . . 3.630 3.335 2.475 3.701 0.071 5 0 "[ . 1 . 2]" 1
110 1 12 TYR HB2 1 70 VAL QG . . 5.500 3.978 3.373 4.522 . 0 0 "[ . 1 . 2]" 1
111 1 12 TYR HB2 1 72 THR MG . . 3.840 3.676 3.329 3.940 0.100 15 0 "[ . 1 . 2]" 1
112 1 12 TYR HB2 1 100 VAL QG . . 3.870 3.226 2.429 3.652 . 0 0 "[ . 1 . 2]" 1
113 1 12 TYR HB3 1 13 PHE H . . 3.730 3.761 3.529 3.816 0.086 8 0 "[ . 1 . 2]" 1
114 1 12 TYR HB3 1 70 VAL QG . . 5.490 3.437 2.846 4.109 . 0 0 "[ . 1 . 2]" 1
115 1 12 TYR HB3 1 100 VAL QG . . 5.340 3.584 2.498 4.113 . 0 0 "[ . 1 . 2]" 1
116 1 12 TYR QD 1 13 PHE H . . 4.870 4.115 3.747 4.360 . 0 0 "[ . 1 . 2]" 1
117 1 12 TYR QD 1 72 THR MG . . 3.610 3.236 2.601 3.681 0.071 12 0 "[ . 1 . 2]" 1
118 1 12 TYR QD 1 77 CYS QB . . 4.260 3.391 2.672 3.988 . 0 0 "[ . 1 . 2]" 1
119 1 12 TYR QD 1 100 VAL HB . . 4.520 3.090 2.318 3.852 . 0 0 "[ . 1 . 2]" 1
120 1 12 TYR QD 1 100 VAL QG . . 3.230 2.049 1.851 2.491 . 0 0 "[ . 1 . 2]" 1
121 1 12 TYR QE 1 72 THR MG . . 4.920 4.763 4.030 5.041 0.121 12 0 "[ . 1 . 2]" 1
122 1 12 TYR QE 1 100 VAL H . . 5.500 4.053 3.728 4.661 . 0 0 "[ . 1 . 2]" 1
123 1 12 TYR QE 1 100 VAL HA . . 5.270 4.747 3.911 5.351 0.081 4 0 "[ . 1 . 2]" 1
124 1 12 TYR QE 1 100 VAL HB . . 3.150 2.736 2.174 3.295 0.145 20 0 "[ . 1 . 2]" 1
125 1 12 TYR QE 1 100 VAL QG . . 3.510 2.451 1.685 3.201 . 0 0 "[ . 1 . 2]" 1
126 1 13 PHE H 1 13 PHE HB2 . . 3.520 2.517 2.438 2.770 . 0 0 "[ . 1 . 2]" 1
127 1 13 PHE H 1 13 PHE HB3 . . 3.910 3.662 3.604 3.811 . 0 0 "[ . 1 . 2]" 1
128 1 13 PHE H 1 13 PHE QD . . 3.170 2.920 2.450 3.262 0.092 6 0 "[ . 1 . 2]" 1
129 1 13 PHE H 1 13 PHE QE . . 4.670 4.672 4.327 4.759 0.089 2 0 "[ . 1 . 2]" 1
130 1 13 PHE H 1 40 LEU QD . . 4.970 3.968 3.523 4.599 . 0 0 "[ . 1 . 2]" 1
131 1 13 PHE HA 1 13 PHE QD . . 2.940 2.672 2.198 3.033 0.093 1 0 "[ . 1 . 2]" 1
132 1 13 PHE HA 1 14 GLU H . . 2.940 2.232 1.917 2.436 . 0 0 "[ . 1 . 2]" 1
133 1 13 PHE HA 1 14 GLU HB2 . . 5.040 4.291 3.899 4.803 . 0 0 "[ . 1 . 2]" 1
134 1 13 PHE HA 1 14 GLU HB3 . . 5.020 4.715 4.332 5.137 0.117 4 0 "[ . 1 . 2]" 1
135 1 13 PHE HA 1 17 GLN HE21 . . 4.420 2.815 2.230 4.140 . 0 0 "[ . 1 . 2]" 1
136 1 13 PHE HA 1 17 GLN HE22 . . 3.870 2.708 2.193 3.290 . 0 0 "[ . 1 . 2]" 1
137 1 13 PHE HA 1 17 GLN HG3 . . 5.360 5.178 3.786 5.433 0.073 10 0 "[ . 1 . 2]" 1
138 1 13 PHE HA 1 37 ILE MD . . 4.510 3.409 2.840 3.807 . 0 0 "[ . 1 . 2]" 1
139 1 13 PHE HA 1 70 VAL QG . . 4.780 3.052 2.574 3.544 . 0 0 "[ . 1 . 2]" 1
140 1 13 PHE HB2 1 14 GLU H . . 4.150 3.982 3.552 4.242 0.092 17 0 "[ . 1 . 2]" 1
141 1 13 PHE HB2 1 37 ILE MD . . 4.060 3.704 3.372 4.079 0.019 1 0 "[ . 1 . 2]" 1
142 1 13 PHE HB2 1 40 LEU QD . . 4.040 2.436 2.078 3.312 . 0 0 "[ . 1 . 2]" 1
143 1 13 PHE HB2 1 96 LEU QD . . 5.350 3.926 3.480 4.352 . 0 0 "[ . 1 . 2]" 1
144 1 13 PHE HB3 1 14 GLU H . . 3.650 3.112 2.467 3.676 0.026 16 0 "[ . 1 . 2]" 1
145 1 13 PHE HB3 1 17 GLN HE22 . . 5.500 5.056 4.147 5.577 0.077 19 0 "[ . 1 . 2]" 1
146 1 13 PHE HB3 1 19 VAL MG1 . . 5.500 3.638 3.274 4.109 . 0 0 "[ . 1 . 2]" 1
147 1 13 PHE HB3 1 37 ILE MD . . 3.500 2.371 2.089 2.728 . 0 0 "[ . 1 . 2]" 1
148 1 13 PHE HB3 1 37 ILE MG . . 4.850 4.171 3.831 4.549 . 0 0 "[ . 1 . 2]" 1
149 1 13 PHE HB3 1 40 LEU QD . . 5.480 2.728 2.096 4.046 . 0 0 "[ . 1 . 2]" 1
150 1 13 PHE QD 1 19 VAL MG1 . . 3.160 2.231 1.999 3.006 . 0 0 "[ . 1 . 2]" 1
151 1 13 PHE QD 1 19 VAL MG2 . . 5.500 4.422 4.049 5.111 . 0 0 "[ . 1 . 2]" 1
152 1 13 PHE QD 1 37 ILE MD . . 3.900 2.870 2.201 3.704 . 0 0 "[ . 1 . 2]" 1
153 1 13 PHE QD 1 40 LEU QD . . 4.760 3.529 3.049 4.201 . 0 0 "[ . 1 . 2]" 1
154 1 13 PHE QD 1 68 VAL HB . . 4.810 4.675 4.137 4.914 0.104 10 0 "[ . 1 . 2]" 1
155 1 13 PHE QD 1 68 VAL QG . . 4.870 3.799 3.158 4.181 . 0 0 "[ . 1 . 2]" 1
156 1 13 PHE QD 1 70 VAL HB . . 4.870 3.770 3.405 4.245 . 0 0 "[ . 1 . 2]" 1
157 1 13 PHE QD 1 70 VAL QG . . 3.950 2.427 2.012 2.877 . 0 0 "[ . 1 . 2]" 1
158 1 13 PHE QD 1 96 LEU QD . . 3.260 2.863 2.444 3.293 0.033 19 0 "[ . 1 . 2]" 1
159 1 13 PHE QD 1 100 VAL QG . . 5.060 3.555 2.787 4.311 . 0 0 "[ . 1 . 2]" 1
160 1 13 PHE QE 1 19 VAL MG1 . . 4.160 2.453 2.056 3.684 . 0 0 "[ . 1 . 2]" 1
161 1 13 PHE QE 1 37 ILE MD . . 5.310 4.472 3.859 5.041 . 0 0 "[ . 1 . 2]" 1
162 1 13 PHE QE 1 68 VAL HB . . 4.340 2.889 2.347 3.726 . 0 0 "[ . 1 . 2]" 1
163 1 13 PHE QE 1 68 VAL QG . . 3.650 2.559 2.092 3.131 . 0 0 "[ . 1 . 2]" 1
164 1 13 PHE QE 1 69 SER H . . 4.790 4.252 3.725 4.887 0.097 6 0 "[ . 1 . 2]" 1
165 1 13 PHE QE 1 69 SER HA . . 4.420 4.073 3.441 4.506 0.086 19 0 "[ . 1 . 2]" 1
166 1 13 PHE QE 1 70 VAL H . . 5.500 4.091 3.505 4.526 . 0 0 "[ . 1 . 2]" 1
167 1 13 PHE QE 1 70 VAL HB . . 3.700 3.403 3.038 3.811 0.111 6 0 "[ . 1 . 2]" 1
168 1 13 PHE QE 1 70 VAL QG . . 3.120 2.311 1.836 2.768 . 0 0 "[ . 1 . 2]" 1
169 1 13 PHE QE 1 79 CYS H . . 5.500 4.777 4.172 5.171 . 0 0 "[ . 1 . 2]" 1
170 1 13 PHE QE 1 79 CYS QB . . 3.720 3.188 2.911 3.440 . 0 0 "[ . 1 . 2]" 1
171 1 13 PHE QE 1 96 LEU QD . . 4.020 2.659 2.107 3.400 . 0 0 "[ . 1 . 2]" 1
172 1 13 PHE QE 1 100 VAL QG . . 3.050 2.397 1.867 2.984 . 0 0 "[ . 1 . 2]" 1
173 1 13 PHE HZ 1 68 VAL HB . . 4.290 3.237 2.195 4.291 0.001 14 0 "[ . 1 . 2]" 1
174 1 13 PHE HZ 1 68 VAL QG . . 4.080 2.378 1.926 2.993 . 0 0 "[ . 1 . 2]" 1
175 1 13 PHE HZ 1 69 SER HA . . 4.500 4.355 3.829 4.581 0.081 11 0 "[ . 1 . 2]" 1
176 1 13 PHE HZ 1 70 VAL QG . . 3.780 3.587 2.868 3.852 0.072 6 0 "[ . 1 . 2]" 1
177 1 13 PHE HZ 1 78 ARG HA . . 5.280 3.969 2.898 4.688 . 0 0 "[ . 1 . 2]" 1
178 1 13 PHE HZ 1 79 CYS H . . 4.600 3.761 2.965 4.268 . 0 0 "[ . 1 . 2]" 1
179 1 13 PHE HZ 1 79 CYS QB . . 3.700 2.860 2.361 3.485 . 0 0 "[ . 1 . 2]" 1
180 1 13 PHE HZ 1 96 LEU QD . . 5.150 3.629 3.086 4.004 . 0 0 "[ . 1 . 2]" 1
181 1 13 PHE HZ 1 100 VAL QG . . 4.120 3.146 2.544 3.845 . 0 0 "[ . 1 . 2]" 1
182 1 14 GLU H 1 14 GLU HB2 . . 3.820 2.879 2.091 3.315 . 0 0 "[ . 1 . 2]" 1
183 1 14 GLU H 1 14 GLU HB3 . . 3.950 2.881 2.431 3.717 . 0 0 "[ . 1 . 2]" 1
184 1 14 GLU H 1 15 GLN H . . 4.450 4.375 4.166 4.537 0.087 17 0 "[ . 1 . 2]" 1
185 1 14 GLU H 1 17 GLN HB2 . . 3.640 2.279 1.978 2.732 . 0 0 "[ . 1 . 2]" 1
186 1 14 GLU H 1 17 GLN HB3 . . 4.020 3.083 2.326 3.647 . 0 0 "[ . 1 . 2]" 1
187 1 14 GLU H 1 17 GLN HE21 . . 5.410 3.186 2.184 4.792 . 0 0 "[ . 1 . 2]" 1
188 1 14 GLU H 1 17 GLN HE22 . . 4.490 3.531 2.443 4.574 0.084 14 0 "[ . 1 . 2]" 1
189 1 14 GLU H 1 19 VAL MG1 . . 5.020 4.682 4.162 5.106 0.086 15 0 "[ . 1 . 2]" 1
190 1 14 GLU H 1 37 ILE MD . . 3.670 2.845 2.246 3.498 . 0 0 "[ . 1 . 2]" 1
191 1 14 GLU H 1 70 VAL QG . . 5.140 4.238 3.779 4.655 . 0 0 "[ . 1 . 2]" 1
192 1 14 GLU HA 1 15 GLN H . . 2.810 2.322 2.168 2.486 . 0 0 "[ . 1 . 2]" 1
193 1 14 GLU HA 1 15 GLN HA . . 4.420 4.227 3.912 4.484 0.064 15 0 "[ . 1 . 2]" 1
194 1 14 GLU HA 1 15 GLN QB . . 4.210 4.051 3.742 4.312 0.102 14 0 "[ . 1 . 2]" 1
195 1 14 GLU HB2 1 15 GLN H . . 3.630 3.887 3.151 3.942 0.312 13 0 "[ . 1 . 2]" 1
196 1 14 GLU HB3 1 15 GLN H . . 3.850 3.396 2.717 3.706 . 0 0 "[ . 1 . 2]" 1
197 1 15 GLN H 1 15 GLN QB . . 2.840 2.216 2.040 2.607 . 0 0 "[ . 1 . 2]" 1
198 1 15 GLN H 1 15 GLN QG . . 4.020 3.670 2.534 4.055 0.035 7 0 "[ . 1 . 2]" 1
199 1 15 GLN H 1 16 LEU H . . 4.640 2.841 2.469 3.053 . 0 0 "[ . 1 . 2]" 1
200 1 15 GLN H 1 17 GLN H . . 5.500 4.199 3.806 4.673 . 0 0 "[ . 1 . 2]" 1
201 1 15 GLN H 1 37 ILE MD . . 5.380 4.857 4.675 5.061 . 0 0 "[ . 1 . 2]" 1
202 1 15 GLN H 1 37 ILE MG . . 4.710 4.218 4.000 4.352 . 0 0 "[ . 1 . 2]" 1
203 1 15 GLN H 1 40 LEU HB2 . . 5.500 4.512 3.439 5.558 0.058 18 0 "[ . 1 . 2]" 1
204 1 15 GLN HA 1 15 GLN QG . . 3.720 2.621 2.158 3.512 . 0 0 "[ . 1 . 2]" 1
205 1 15 GLN HA 1 16 LEU H . . 3.500 3.412 3.317 3.496 . 0 0 "[ . 1 . 2]" 1
206 1 15 GLN HA 1 16 LEU HG . . 5.270 4.938 4.519 5.360 0.090 1 0 "[ . 1 . 2]" 1
207 1 15 GLN HA 1 37 ILE HB . . 3.560 3.579 3.324 3.639 0.079 15 0 "[ . 1 . 2]" 1
208 1 15 GLN HA 1 37 ILE MD . . 5.310 3.883 3.727 4.053 . 0 0 "[ . 1 . 2]" 1
209 1 15 GLN HA 1 37 ILE MG . . 3.230 2.136 1.935 2.234 . 0 0 "[ . 1 . 2]" 1
210 1 15 GLN HA 1 38 THR H . . 4.610 4.587 4.093 4.692 0.082 18 0 "[ . 1 . 2]" 1
211 1 15 GLN HA 1 38 THR HA . . 5.060 5.118 4.928 5.141 0.081 3 0 "[ . 1 . 2]" 1
212 1 15 GLN HA 1 40 LEU H . . 4.950 4.135 3.298 4.862 . 0 0 "[ . 1 . 2]" 1
213 1 15 GLN QB 1 16 LEU H . . 3.760 3.139 2.750 3.726 . 0 0 "[ . 1 . 2]" 1
214 1 15 GLN QB 1 16 LEU HA . . 5.180 4.550 4.210 4.922 . 0 0 "[ . 1 . 2]" 1
215 1 15 GLN QB 1 16 LEU QD . . 4.340 2.895 1.927 3.748 . 0 0 "[ . 1 . 2]" 1
216 1 15 GLN QB 1 16 LEU HG . . 4.020 3.349 2.453 4.128 0.108 7 0 "[ . 1 . 2]" 1
217 1 15 GLN QB 1 17 GLN H . . 4.680 4.770 4.752 4.803 0.123 5 0 "[ . 1 . 2]" 1
218 1 15 GLN QB 1 37 ILE MG . . 4.550 3.762 3.140 3.952 . 0 0 "[ . 1 . 2]" 1
219 1 15 GLN QB 1 40 LEU H . . 4.480 3.880 2.496 4.567 0.087 13 0 "[ . 1 . 2]" 1
220 1 15 GLN HE21 1 16 LEU QD . . 5.230 3.462 2.366 4.914 . 0 0 "[ . 1 . 2]" 1
221 1 15 GLN QG 1 16 LEU H . . 4.070 3.739 2.529 4.165 0.095 1 0 "[ . 1 . 2]" 1
222 1 15 GLN QG 1 16 LEU HA . . 4.800 4.203 3.845 4.389 . 0 0 "[ . 1 . 2]" 1
223 1 15 GLN QG 1 16 LEU QD . . 3.340 2.354 1.848 3.027 . 0 0 "[ . 1 . 2]" 1
224 1 15 GLN QG 1 16 LEU HG . . 3.770 3.266 2.034 3.881 0.111 4 0 "[ . 1 . 2]" 1
225 1 15 GLN QG 1 37 ILE MG . . 4.800 3.407 2.838 4.608 . 0 0 "[ . 1 . 2]" 1
226 1 15 GLN QG 1 39 SER HA . . 4.090 2.774 2.017 4.143 0.053 6 0 "[ . 1 . 2]" 1
227 1 15 GLN QG 1 40 LEU H . . 4.820 3.579 2.404 4.910 0.090 5 0 "[ . 1 . 2]" 1
228 1 16 LEU H 1 16 LEU HB3 . . 4.080 3.796 3.692 3.909 . 0 0 "[ . 1 . 2]" 1
229 1 16 LEU H 1 16 LEU QD . . 3.560 3.209 2.561 3.452 . 0 0 "[ . 1 . 2]" 1
230 1 16 LEU H 1 16 LEU HG . . 5.100 3.257 2.695 4.129 . 0 0 "[ . 1 . 2]" 1
231 1 16 LEU H 1 17 GLN H . . 3.500 2.158 1.900 2.501 . 0 0 "[ . 1 . 2]" 1
232 1 16 LEU H 1 37 ILE H . . 5.500 5.422 5.002 5.556 0.056 15 0 "[ . 1 . 2]" 1
233 1 16 LEU H 1 37 ILE HB . . 4.040 3.815 3.698 3.914 . 0 0 "[ . 1 . 2]" 1
234 1 16 LEU H 1 37 ILE MG . . 3.960 4.057 4.014 4.071 0.111 17 0 "[ . 1 . 2]" 1
235 1 16 LEU HA 1 16 LEU QD . . 2.880 2.450 2.148 2.866 . 0 0 "[ . 1 . 2]" 1
236 1 16 LEU HA 1 16 LEU HG . . 4.060 2.928 2.086 3.403 . 0 0 "[ . 1 . 2]" 1
237 1 16 LEU HA 1 36 ALA MB . . 4.040 3.806 3.278 4.123 0.083 15 0 "[ . 1 . 2]" 1
238 1 16 LEU HA 1 37 ILE H . . 4.720 3.770 3.429 4.266 . 0 0 "[ . 1 . 2]" 1
239 1 16 LEU HA 1 38 THR H . . 5.020 5.009 4.605 5.109 0.089 15 0 "[ . 1 . 2]" 1
240 1 16 LEU HA 1 38 THR HA . . 4.850 3.851 3.302 4.358 . 0 0 "[ . 1 . 2]" 1
241 1 16 LEU HB2 1 16 LEU QD . . 3.080 2.229 2.119 2.311 . 0 0 "[ . 1 . 2]" 1
242 1 16 LEU HB3 1 16 LEU QD . . 2.980 2.145 2.088 2.265 . 0 0 "[ . 1 . 2]" 1
243 1 16 LEU QD 1 17 GLN H . . 4.890 4.355 4.139 4.472 . 0 0 "[ . 1 . 2]" 1
244 1 16 LEU QD 1 38 THR H . . 5.220 4.977 4.673 5.178 . 0 0 "[ . 1 . 2]" 1
245 1 16 LEU QD 1 38 THR HA . . 3.870 3.158 2.625 3.799 . 0 0 "[ . 1 . 2]" 1
246 1 17 GLN H 1 17 GLN HB2 . . 3.080 2.231 2.106 2.479 . 0 0 "[ . 1 . 2]" 1
247 1 17 GLN H 1 17 GLN HB3 . . 3.310 3.212 2.716 3.391 0.081 15 0 "[ . 1 . 2]" 1
248 1 17 GLN H 1 17 GLN HG3 . . 4.040 3.836 3.473 4.177 0.137 14 0 "[ . 1 . 2]" 1
249 1 17 GLN H 1 18 LYS H . . 4.520 4.576 4.484 4.596 0.076 6 0 "[ . 1 . 2]" 1
250 1 17 GLN H 1 37 ILE H . . 4.110 3.876 3.421 4.045 . 0 0 "[ . 1 . 2]" 1
251 1 17 GLN H 1 37 ILE HB . . 3.820 2.618 2.304 2.818 . 0 0 "[ . 1 . 2]" 1
252 1 17 GLN H 1 37 ILE MD . . 4.630 3.043 2.567 3.695 . 0 0 "[ . 1 . 2]" 1
253 1 17 GLN H 1 37 ILE HG12 . . 5.310 5.239 5.007 5.393 0.083 1 0 "[ . 1 . 2]" 1
254 1 17 GLN H 1 37 ILE MG . . 4.280 3.714 3.437 3.990 . 0 0 "[ . 1 . 2]" 1
255 1 17 GLN HA 1 17 GLN HG2 . . 3.950 2.486 2.049 2.892 . 0 0 "[ . 1 . 2]" 1
256 1 17 GLN HA 1 17 GLN HG3 . . 3.760 2.538 2.258 3.442 . 0 0 "[ . 1 . 2]" 1
257 1 17 GLN HA 1 18 LYS H . . 2.660 2.506 2.221 2.714 0.054 14 0 "[ . 1 . 2]" 1
258 1 17 GLN HA 1 18 LYS QB . . 4.500 4.283 3.771 4.416 . 0 0 "[ . 1 . 2]" 1
259 1 17 GLN HA 1 18 LYS QD . . 4.630 3.512 2.841 4.723 0.093 20 0 "[ . 1 . 2]" 1
260 1 17 GLN HB2 1 17 GLN HE21 . . 4.620 3.037 2.188 4.208 . 0 0 "[ . 1 . 2]" 1
261 1 17 GLN HB2 1 17 GLN HE22 . . 5.200 3.959 3.541 4.751 . 0 0 "[ . 1 . 2]" 1
262 1 17 GLN HB2 1 18 LYS H . . 4.220 3.924 3.704 4.301 0.081 6 0 "[ . 1 . 2]" 1
263 1 17 GLN HB2 1 37 ILE MD . . 4.180 2.915 2.186 3.682 . 0 0 "[ . 1 . 2]" 1
264 1 17 GLN HB2 1 70 VAL QG . . 5.430 4.158 3.514 4.664 . 0 0 "[ . 1 . 2]" 1
265 1 17 GLN HB3 1 18 LYS H . . 3.740 2.683 2.323 3.495 . 0 0 "[ . 1 . 2]" 1
266 1 17 GLN HB3 1 19 VAL MG1 . . 3.610 3.548 2.979 3.732 0.122 11 0 "[ . 1 . 2]" 1
267 1 17 GLN HB3 1 37 ILE MD . . 3.940 2.675 2.042 3.980 0.040 7 0 "[ . 1 . 2]" 1
268 1 17 GLN HB3 1 37 ILE HG13 . . 5.100 4.196 3.410 4.720 . 0 0 "[ . 1 . 2]" 1
269 1 17 GLN HB3 1 70 VAL QG . . 5.380 3.103 2.268 3.703 . 0 0 "[ . 1 . 2]" 1
270 1 17 GLN HE21 1 19 VAL MG1 . . 5.230 4.144 2.716 5.325 0.095 12 0 "[ . 1 . 2]" 1
271 1 17 GLN HE21 1 70 VAL QG . . 4.150 2.328 1.680 3.851 . 0 0 "[ . 1 . 2]" 1
272 1 17 GLN HE21 1 72 THR HB . . 4.710 4.127 2.898 4.787 0.077 1 0 "[ . 1 . 2]" 1
273 1 17 GLN HE21 1 72 THR MG . . 5.280 4.539 3.644 5.361 0.081 19 0 "[ . 1 . 2]" 1
274 1 17 GLN HE22 1 70 VAL QG . . 4.090 2.509 1.729 3.138 . 0 0 "[ . 1 . 2]" 1
275 1 17 GLN HE22 1 72 THR HB . . 4.740 3.045 2.253 3.536 . 0 0 "[ . 1 . 2]" 1
276 1 17 GLN HE22 1 72 THR MG . . 4.360 3.393 2.255 4.283 . 0 0 "[ . 1 . 2]" 1
277 1 17 GLN HG2 1 18 LYS H . . 4.100 2.597 1.919 3.303 . 0 0 "[ . 1 . 2]" 1
278 1 17 GLN HG2 1 70 VAL QG . . 4.230 3.105 2.231 4.334 0.104 14 0 "[ . 1 . 2]" 1
279 1 17 GLN HG3 1 18 LYS H . . 4.080 3.850 2.957 4.163 0.083 19 0 "[ . 1 . 2]" 1
280 1 17 GLN HG3 1 70 VAL QG . . 4.680 4.136 3.549 4.606 . 0 0 "[ . 1 . 2]" 1
281 1 18 LYS H 1 18 LYS QB . . 3.390 2.507 2.339 2.808 . 0 0 "[ . 1 . 2]" 1
282 1 18 LYS H 1 18 LYS QD . . 3.990 2.913 2.365 3.868 . 0 0 "[ . 1 . 2]" 1
283 1 18 LYS H 1 18 LYS QG . . 4.280 3.474 2.418 4.030 . 0 0 "[ . 1 . 2]" 1
284 1 18 LYS H 1 19 VAL H . . 4.590 4.496 4.393 4.588 . 0 0 "[ . 1 . 2]" 1
285 1 18 LYS H 1 19 VAL MG1 . . 4.370 4.218 3.901 4.423 0.053 3 0 "[ . 1 . 2]" 1
286 1 18 LYS H 1 36 ALA HA . . 5.280 4.624 3.957 5.087 . 0 0 "[ . 1 . 2]" 1
287 1 18 LYS HA 1 18 LYS QD . . 4.050 3.552 2.929 4.128 0.078 15 0 "[ . 1 . 2]" 1
288 1 18 LYS HA 1 18 LYS QG . . 3.700 2.498 2.106 3.349 . 0 0 "[ . 1 . 2]" 1
289 1 18 LYS HA 1 19 VAL H . . 2.890 2.260 1.930 2.388 . 0 0 "[ . 1 . 2]" 1
290 1 18 LYS HA 1 19 VAL MG1 . . 4.640 3.638 3.134 3.996 . 0 0 "[ . 1 . 2]" 1
291 1 18 LYS HA 1 19 VAL MG2 . . 4.520 3.639 3.214 3.899 . 0 0 "[ . 1 . 2]" 1
292 1 18 LYS HA 1 35 ALA H . . 4.420 4.314 4.052 4.500 0.080 15 0 "[ . 1 . 2]" 1
293 1 18 LYS HA 1 36 ALA HA . . 3.240 2.310 2.032 2.724 . 0 0 "[ . 1 . 2]" 1
294 1 18 LYS HA 1 36 ALA MB . . 4.430 3.947 3.678 4.333 . 0 0 "[ . 1 . 2]" 1
295 1 18 LYS HA 1 37 ILE H . . 4.250 3.097 2.686 3.433 . 0 0 "[ . 1 . 2]" 1
296 1 18 LYS QB 1 19 VAL H . . 4.290 2.765 2.512 3.292 . 0 0 "[ . 1 . 2]" 1
297 1 18 LYS QB 1 36 ALA HA . . 4.920 3.525 2.029 4.401 . 0 0 "[ . 1 . 2]" 1
298 1 18 LYS QB 1 50 PHE QE . . 4.580 3.523 1.944 4.220 . 0 0 "[ . 1 . 2]" 1
299 1 18 LYS QD 1 36 ALA HA . . 4.660 3.648 2.553 4.215 . 0 0 "[ . 1 . 2]" 1
300 1 18 LYS QD 1 36 ALA MB . . 3.580 3.309 2.266 3.695 0.115 7 0 "[ . 1 . 2]" 1
301 1 18 LYS QD 1 50 PHE QE . . 4.000 2.458 2.197 3.256 . 0 0 "[ . 1 . 2]" 1
302 1 18 LYS HE2 1 34 THR MG . . 4.490 4.282 2.074 5.291 0.801 4 4 "[ - +* * 1 . 2]" 1
303 1 18 LYS QG 1 19 VAL H . . 4.570 3.606 3.417 3.972 . 0 0 "[ . 1 . 2]" 1
304 1 18 LYS QG 1 34 THR HB . . 5.050 4.369 3.485 4.915 . 0 0 "[ . 1 . 2]" 1
305 1 18 LYS QG 1 34 THR MG . . 3.620 2.842 2.214 3.516 . 0 0 "[ . 1 . 2]" 1
306 1 18 LYS QG 1 35 ALA H . . 5.290 4.055 3.646 4.644 . 0 0 "[ . 1 . 2]" 1
307 1 18 LYS QG 1 36 ALA HA . . 4.610 2.718 2.121 4.167 . 0 0 "[ . 1 . 2]" 1
308 1 18 LYS QG 1 50 PHE QD . . 3.940 3.438 2.977 3.885 . 0 0 "[ . 1 . 2]" 1
309 1 18 LYS QG 1 50 PHE QE . . 3.730 2.243 1.955 2.704 . 0 0 "[ . 1 . 2]" 1
310 1 19 VAL H 1 19 VAL MG1 . . 3.700 3.109 2.618 3.357 . 0 0 "[ . 1 . 2]" 1
311 1 19 VAL H 1 19 VAL MG2 . . 3.150 2.410 2.036 2.669 . 0 0 "[ . 1 . 2]" 1
312 1 19 VAL H 1 20 ASN H . . 5.150 4.372 4.256 4.458 . 0 0 "[ . 1 . 2]" 1
313 1 19 VAL H 1 34 THR MG . . 4.770 3.752 2.695 4.850 0.080 11 0 "[ . 1 . 2]" 1
314 1 19 VAL H 1 35 ALA H . . 3.670 2.976 2.624 3.690 0.020 8 0 "[ . 1 . 2]" 1
315 1 19 VAL H 1 35 ALA MB . . 5.030 3.908 3.580 4.238 . 0 0 "[ . 1 . 2]" 1
316 1 19 VAL H 1 36 ALA HA . . 4.000 3.911 3.527 4.079 0.079 16 0 "[ . 1 . 2]" 1
317 1 19 VAL HA 1 19 VAL MG1 . . 3.220 2.282 2.178 2.387 . 0 0 "[ . 1 . 2]" 1
318 1 19 VAL HA 1 20 ASN H . . 2.940 2.321 2.143 2.717 . 0 0 "[ . 1 . 2]" 1
319 1 19 VAL HA 1 68 VAL QG . . 4.330 4.194 3.777 4.375 0.045 7 0 "[ . 1 . 2]" 1
320 1 19 VAL HA 1 69 SER H . . 4.870 3.711 2.701 4.586 . 0 0 "[ . 1 . 2]" 1
321 1 19 VAL HA 1 70 VAL HB . . 4.300 2.836 2.593 4.404 0.104 6 0 "[ . 1 . 2]" 1
322 1 19 VAL HA 1 70 VAL QG . . 3.940 3.401 2.221 3.664 . 0 0 "[ . 1 . 2]" 1
323 1 19 VAL HB 1 20 ASN H . . 3.180 2.750 2.122 3.237 0.057 8 0 "[ . 1 . 2]" 1
324 1 19 VAL HB 1 20 ASN HA . . 5.000 4.843 4.644 5.070 0.070 8 0 "[ . 1 . 2]" 1
325 1 19 VAL HB 1 20 ASN HB3 . . 5.160 4.704 4.074 5.662 0.502 8 1 "[ . + 1 . 2]" 1
326 1 19 VAL HB 1 68 VAL HA . . 4.450 3.361 2.591 3.866 . 0 0 "[ . 1 . 2]" 1
327 1 19 VAL HB 1 68 VAL HB . . 4.380 2.996 2.033 4.463 0.083 4 0 "[ . 1 . 2]" 1
328 1 19 VAL HB 1 68 VAL QG . . 3.490 2.486 1.964 3.071 . 0 0 "[ . 1 . 2]" 1
329 1 19 VAL HB 1 69 SER H . . 4.120 3.124 2.378 3.624 . 0 0 "[ . 1 . 2]" 1
330 1 19 VAL HB 1 70 VAL QG . . 4.730 4.272 2.653 4.536 . 0 0 "[ . 1 . 2]" 1
331 1 19 VAL MG1 1 20 ASN H . . 3.880 3.777 3.492 3.990 0.110 11 0 "[ . 1 . 2]" 1
332 1 19 VAL MG1 1 36 ALA HA . . 5.500 5.231 4.717 5.563 0.063 20 0 "[ . 1 . 2]" 1
333 1 19 VAL MG1 1 47 LEU QD . . 4.020 3.405 2.838 3.818 . 0 0 "[ . 1 . 2]" 1
334 1 19 VAL MG1 1 68 VAL QG . . 3.640 2.768 2.056 3.192 . 0 0 "[ . 1 . 2]" 1
335 1 19 VAL MG1 1 70 VAL HA . . 4.700 4.432 3.999 4.782 0.082 7 0 "[ . 1 . 2]" 1
336 1 19 VAL MG1 1 70 VAL HB . . 3.710 2.477 2.101 3.814 0.104 6 0 "[ . 1 . 2]" 1
337 1 19 VAL MG1 1 70 VAL QG . . 3.490 2.619 1.842 3.030 . 0 0 "[ . 1 . 2]" 1
338 1 19 VAL MG2 1 20 ASN H . . 4.400 3.753 2.873 4.170 . 0 0 "[ . 1 . 2]" 1
339 1 19 VAL MG2 1 35 ALA MB . . 3.400 3.128 2.575 3.518 0.118 7 0 "[ . 1 . 2]" 1
340 1 19 VAL MG2 1 36 ALA HA . . 4.990 4.621 4.184 4.984 . 0 0 "[ . 1 . 2]" 1
341 1 19 VAL MG2 1 37 ILE H . . 4.680 4.440 3.982 4.784 0.104 7 0 "[ . 1 . 2]" 1
342 1 19 VAL MG2 1 37 ILE MD . . 3.750 3.075 2.605 3.676 . 0 0 "[ . 1 . 2]" 1
343 1 19 VAL MG2 1 37 ILE HG12 . . 3.810 3.146 2.652 3.777 . 0 0 "[ . 1 . 2]" 1
344 1 20 ASN H 1 20 ASN HB2 . . 3.410 2.296 2.056 2.470 . 0 0 "[ . 1 . 2]" 1
345 1 20 ASN H 1 20 ASN HB3 . . 3.430 2.698 2.159 3.491 0.061 8 0 "[ . 1 . 2]" 1
346 1 20 ASN H 1 20 ASN HD21 . . 5.020 4.420 3.732 4.933 . 0 0 "[ . 1 . 2]" 1
347 1 20 ASN H 1 20 ASN HD22 . . 5.500 5.516 4.867 5.593 0.093 1 0 "[ . 1 . 2]" 1
348 1 20 ASN H 1 68 VAL HB . . 5.500 4.539 3.561 5.574 0.074 2 0 "[ . 1 . 2]" 1
349 1 20 ASN H 1 69 SER QB . . 4.890 4.286 3.522 4.955 0.065 7 0 "[ . 1 . 2]" 1
350 1 20 ASN H 1 70 VAL QG . . 5.500 4.542 3.508 4.864 . 0 0 "[ . 1 . 2]" 1
351 1 20 ASN HA 1 20 ASN HD21 . . 4.550 2.098 1.751 2.827 . 0 0 "[ . 1 . 2]" 1
352 1 20 ASN HA 1 20 ASN HD22 . . 5.100 3.481 3.328 3.693 . 0 0 "[ . 1 . 2]" 1
353 1 20 ASN HA 1 21 LEU H . . 2.790 2.454 2.308 2.704 . 0 0 "[ . 1 . 2]" 1
354 1 20 ASN HB2 1 69 SER QB . . 3.600 3.507 2.297 3.987 0.387 5 0 "[ . 1 . 2]" 1
355 1 20 ASN HB3 1 21 LEU H . . 3.940 3.436 2.600 3.854 . 0 0 "[ . 1 . 2]" 1
356 1 20 ASN HB3 1 69 SER H . . 4.130 2.710 1.956 4.195 0.065 8 0 "[ . 1 . 2]" 1
357 1 20 ASN HB3 1 69 SER QB . . 3.920 3.553 3.028 4.009 0.089 12 0 "[ . 1 . 2]" 1
358 1 20 ASN HD21 1 21 LEU H . . 4.830 2.632 2.003 3.342 . 0 0 "[ . 1 . 2]" 1
359 1 20 ASN HD21 1 21 LEU HG . . 4.780 4.667 3.947 4.857 0.077 2 0 "[ . 1 . 2]" 1
360 1 20 ASN HD21 1 34 THR MG . . 5.500 4.023 2.719 5.471 . 0 0 "[ . 1 . 2]" 1
361 1 20 ASN HD22 1 34 THR MG . . 5.500 5.108 4.053 5.606 0.106 4 0 "[ . 1 . 2]" 1
362 1 21 LEU H 1 21 LEU HB2 . . 3.630 2.664 2.436 2.993 . 0 0 "[ . 1 . 2]" 1
363 1 21 LEU H 1 21 LEU HB3 . . 3.880 3.780 3.665 3.892 0.012 11 0 "[ . 1 . 2]" 1
364 1 21 LEU H 1 21 LEU MD2 . . 5.410 3.807 3.385 4.154 . 0 0 "[ . 1 . 2]" 1
365 1 21 LEU H 1 21 LEU HG . . 3.710 3.044 2.672 3.472 . 0 0 "[ . 1 . 2]" 1
366 1 21 LEU H 1 32 ASP HA . . 4.520 3.815 3.577 4.095 . 0 0 "[ . 1 . 2]" 1
367 1 21 LEU H 1 32 ASP HB2 . . 5.110 4.887 3.549 5.906 0.796 15 2 "[- . 1 + 2]" 1
368 1 21 LEU H 1 33 GLY H . . 3.660 2.693 2.227 3.104 . 0 0 "[ . 1 . 2]" 1
369 1 21 LEU HA 1 21 LEU MD2 . . 4.420 2.245 2.088 2.583 . 0 0 "[ . 1 . 2]" 1
370 1 21 LEU HA 1 22 THR H . . 2.950 2.823 2.388 3.038 0.088 5 0 "[ . 1 . 2]" 1
371 1 21 LEU HA 1 66 VAL MG1 . . 4.880 4.740 4.362 4.973 0.093 19 0 "[ . 1 . 2]" 1
372 1 21 LEU HB2 1 21 LEU HG . . 2.740 2.445 2.302 2.488 . 0 0 "[ . 1 . 2]" 1
373 1 21 LEU HB2 1 22 THR H . . 4.530 4.269 3.623 4.483 . 0 0 "[ . 1 . 2]" 1
374 1 21 LEU HB2 1 32 ASP HA . . 4.230 3.527 2.847 4.302 0.072 11 0 "[ . 1 . 2]" 1
375 1 21 LEU HB2 1 33 GLY H . . 5.020 2.191 1.841 2.903 . 0 0 "[ . 1 . 2]" 1
376 1 21 LEU HB2 1 33 GLY HA2 . . 4.960 4.293 3.793 4.985 0.025 11 0 "[ . 1 . 2]" 1
377 1 21 LEU HB3 1 21 LEU MD1 . . 3.640 2.273 2.179 2.355 . 0 0 "[ . 1 . 2]" 1
378 1 21 LEU HB3 1 33 GLY H . . 4.430 3.779 3.347 4.490 0.060 11 0 "[ . 1 . 2]" 1
379 1 21 LEU HB3 1 66 VAL MG1 . . 4.990 4.724 3.642 5.075 0.085 9 0 "[ . 1 . 2]" 1
380 1 21 LEU MD2 1 34 THR HA . . 5.280 4.148 3.679 4.660 . 0 0 "[ . 1 . 2]" 1
381 1 21 LEU MD2 1 35 ALA H . . 4.270 3.545 2.927 4.281 0.011 3 0 "[ . 1 . 2]" 1
382 1 21 LEU MD2 1 35 ALA MB . . 3.380 2.190 2.025 2.686 . 0 0 "[ . 1 . 2]" 1
383 1 21 LEU HG 1 33 GLY H . . 3.950 3.944 3.548 4.036 0.086 12 0 "[ . 1 . 2]" 1
384 1 21 LEU HG 1 34 THR HA . . 5.310 2.847 2.370 3.724 . 0 0 "[ . 1 . 2]" 1
385 1 21 LEU HG 1 35 ALA H . . 5.200 3.360 3.048 3.847 . 0 0 "[ . 1 . 2]" 1
386 1 22 THR H 1 22 THR HB . . 3.490 2.733 2.279 3.364 . 0 0 "[ . 1 . 2]" 1
387 1 22 THR H 1 22 THR MG . . 3.750 3.678 3.385 3.821 0.071 6 0 "[ . 1 . 2]" 1
388 1 22 THR H 1 23 VAL H . . 4.770 4.416 4.226 4.612 . 0 0 "[ . 1 . 2]" 1
389 1 22 THR H 1 66 VAL MG1 . . 5.400 5.360 4.996 5.508 0.108 3 0 "[ . 1 . 2]" 1
390 1 22 THR H 1 67 SER HB2 . . 5.090 4.394 3.448 5.225 0.135 1 0 "[ . 1 . 2]" 1
391 1 22 THR HA 1 22 THR MG . . 3.310 2.324 2.150 2.563 . 0 0 "[ . 1 . 2]" 1
392 1 22 THR HA 1 23 VAL H . . 2.940 2.227 2.064 2.444 . 0 0 "[ . 1 . 2]" 1
393 1 22 THR HA 1 23 VAL HB . . 4.960 4.847 4.622 5.030 0.070 12 0 "[ . 1 . 2]" 1
394 1 22 THR HA 1 23 VAL MG2 . . 4.280 3.950 3.732 4.221 . 0 0 "[ . 1 . 2]" 1
395 1 22 THR HA 1 31 PHE H . . 4.740 4.419 4.154 4.795 0.055 12 0 "[ . 1 . 2]" 1
396 1 22 THR HA 1 33 GLY H . . 4.340 4.112 3.737 4.425 0.085 20 0 "[ . 1 . 2]" 1
397 1 22 THR HB 1 23 VAL H . . 4.380 4.284 3.850 4.464 0.084 2 0 "[ . 1 . 2]" 1
398 1 22 THR HB 1 67 SER HB2 . . 4.390 3.163 2.231 4.450 0.060 16 0 "[ . 1 . 2]" 1
399 1 22 THR MG 1 23 VAL H . . 3.430 3.207 2.724 3.534 0.104 11 0 "[ . 1 . 2]" 1
400 1 22 THR MG 1 23 VAL HA . . 4.720 4.241 3.532 4.803 0.083 8 0 "[ . 1 . 2]" 1
401 1 22 THR MG 1 23 VAL HB . . 5.470 5.238 4.895 5.553 0.083 16 0 "[ . 1 . 2]" 1
402 1 22 THR MG 1 24 ARG HA . . 5.330 4.431 3.813 4.869 . 0 0 "[ . 1 . 2]" 1
403 1 22 THR MG 1 30 SER HA . . 5.130 5.096 4.611 5.230 0.100 16 0 "[ . 1 . 2]" 1
404 1 22 THR MG 1 30 SER HB2 . . 3.880 3.469 3.029 3.958 0.078 14 0 "[ . 1 . 2]" 1
405 1 22 THR MG 1 30 SER HB3 . . 3.580 3.368 2.742 3.882 0.302 16 0 "[ . 1 . 2]" 1
406 1 22 THR MG 1 31 PHE H . . 4.980 4.269 4.001 4.841 . 0 0 "[ . 1 . 2]" 1
407 1 22 THR MG 1 32 ASP HA . . 4.740 3.950 3.075 4.625 . 0 0 "[ . 1 . 2]" 1
408 1 22 THR MG 1 32 ASP HB3 . . 5.500 4.036 2.337 5.578 0.078 2 0 "[ . 1 . 2]" 1
409 1 22 THR MG 1 67 SER H . . 5.020 4.053 3.373 4.597 . 0 0 "[ . 1 . 2]" 1
410 1 22 THR MG 1 67 SER HB2 . . 4.870 4.146 3.571 5.209 0.339 15 0 "[ . 1 . 2]" 1
411 1 23 VAL H 1 23 VAL HB . . 3.660 2.682 2.402 2.890 . 0 0 "[ . 1 . 2]" 1
412 1 23 VAL H 1 23 VAL MG2 . . 3.320 2.658 2.315 2.907 . 0 0 "[ . 1 . 2]" 1
413 1 23 VAL H 1 24 ARG H . . 4.750 4.414 4.138 4.622 . 0 0 "[ . 1 . 2]" 1
414 1 23 VAL H 1 30 SER HA . . 5.000 4.788 4.322 5.030 0.030 10 0 "[ . 1 . 2]" 1
415 1 23 VAL H 1 30 SER HB2 . . 4.740 4.523 3.494 5.047 0.307 10 0 "[ . 1 . 2]" 1
416 1 23 VAL H 1 30 SER HB3 . . 4.970 4.106 3.219 4.822 . 0 0 "[ . 1 . 2]" 1
417 1 23 VAL H 1 31 PHE H . . 3.700 2.855 2.550 3.156 . 0 0 "[ . 1 . 2]" 1
418 1 23 VAL H 1 31 PHE HB2 . . 4.920 4.963 4.727 5.015 0.095 1 0 "[ . 1 . 2]" 1
419 1 23 VAL H 1 31 PHE HB3 . . 4.440 3.487 3.305 3.759 . 0 0 "[ . 1 . 2]" 1
420 1 23 VAL H 1 31 PHE QD . . 4.230 3.822 3.056 4.313 0.083 1 0 "[ . 1 . 2]" 1
421 1 23 VAL H 1 32 ASP HA . . 4.260 3.409 2.911 3.814 . 0 0 "[ . 1 . 2]" 1
422 1 23 VAL H 1 32 ASP HB2 . . 5.050 4.665 4.035 5.842 0.792 19 1 "[ . 1 . +2]" 1
423 1 23 VAL H 1 33 GLY H . . 5.160 5.111 3.962 5.247 0.087 5 0 "[ . 1 . 2]" 1
424 1 23 VAL HA 1 23 VAL MG1 . . 3.580 2.357 2.191 2.467 . 0 0 "[ . 1 . 2]" 1
425 1 23 VAL HA 1 23 VAL MG2 . . 2.930 2.533 2.393 2.749 . 0 0 "[ . 1 . 2]" 1
426 1 23 VAL HA 1 24 ARG H . . 3.010 2.261 2.172 2.344 . 0 0 "[ . 1 . 2]" 1
427 1 23 VAL HA 1 64 ALA MB . . 4.230 3.993 3.652 4.226 . 0 0 "[ . 1 . 2]" 1
428 1 23 VAL HA 1 66 VAL HA . . 3.290 2.691 2.376 3.118 . 0 0 "[ . 1 . 2]" 1
429 1 23 VAL HA 1 66 VAL HB . . 4.410 3.764 3.157 4.277 . 0 0 "[ . 1 . 2]" 1
430 1 23 VAL HA 1 66 VAL MG1 . . 4.780 2.217 2.039 2.511 . 0 0 "[ . 1 . 2]" 1
431 1 23 VAL HA 1 67 SER H . . 4.590 4.201 3.718 4.499 . 0 0 "[ . 1 . 2]" 1
432 1 23 VAL HB 1 24 ARG H . . 4.800 4.264 4.045 4.505 . 0 0 "[ . 1 . 2]" 1
433 1 23 VAL HB 1 25 LEU QD . . 4.130 2.812 2.130 3.598 . 0 0 "[ . 1 . 2]" 1
434 1 23 VAL HB 1 25 LEU HG . . 5.320 4.120 3.271 5.378 0.058 11 0 "[ . 1 . 2]" 1
435 1 23 VAL HB 1 31 PHE H . . 4.120 2.965 2.693 3.244 . 0 0 "[ . 1 . 2]" 1
436 1 23 VAL HB 1 31 PHE HA . . 5.120 4.996 4.651 5.188 0.068 9 0 "[ . 1 . 2]" 1
437 1 23 VAL HB 1 31 PHE HB2 . . 4.050 3.900 3.473 4.109 0.059 9 0 "[ . 1 . 2]" 1
438 1 23 VAL HB 1 31 PHE HB3 . . 3.660 2.370 2.196 2.556 . 0 0 "[ . 1 . 2]" 1
439 1 23 VAL HB 1 31 PHE QD . . 3.760 3.452 2.968 3.841 0.081 7 0 "[ . 1 . 2]" 1
440 1 23 VAL HB 1 60 LEU QD . . 4.720 3.821 3.447 4.238 . 0 0 "[ . 1 . 2]" 1
441 1 23 VAL MG1 1 24 ARG H . . 4.450 2.881 2.544 3.313 . 0 0 "[ . 1 . 2]" 1
442 1 23 VAL MG1 1 24 ARG QB . . 5.500 4.003 3.592 4.490 . 0 0 "[ . 1 . 2]" 1
443 1 23 VAL MG1 1 60 LEU QD . . 4.480 2.353 2.123 2.666 . 0 0 "[ . 1 . 2]" 1
444 1 23 VAL MG1 1 64 ALA MB . . 4.060 2.085 1.936 2.332 . 0 0 "[ . 1 . 2]" 1
445 1 23 VAL MG2 1 31 PHE H . . 4.170 4.216 3.997 4.272 0.102 4 0 "[ . 1 . 2]" 1
446 1 23 VAL MG2 1 31 PHE HB3 . . 3.720 3.171 2.863 3.427 . 0 0 "[ . 1 . 2]" 1
447 1 23 VAL MG2 1 31 PHE QD . . 3.000 2.593 2.182 3.093 0.093 11 0 "[ . 1 . 2]" 1
448 1 23 VAL MG2 1 32 ASP HA . . 4.890 4.294 3.851 4.745 . 0 0 "[ . 1 . 2]" 1
449 1 23 VAL MG2 1 60 LEU HA . . 4.410 4.396 4.112 4.506 0.096 12 0 "[ . 1 . 2]" 1
450 1 23 VAL MG2 1 60 LEU QD . . 3.250 2.145 2.008 2.332 . 0 0 "[ . 1 . 2]" 1
451 1 23 VAL MG2 1 61 SER H . . 5.460 5.271 4.999 5.546 0.086 20 0 "[ . 1 . 2]" 1
452 1 23 VAL MG2 1 64 ALA MB . . 3.290 3.419 3.374 3.437 0.147 15 0 "[ . 1 . 2]" 1
453 1 23 VAL MG2 1 66 VAL HA . . 3.800 3.810 3.582 3.903 0.103 7 0 "[ . 1 . 2]" 1
454 1 23 VAL MG2 1 66 VAL MG1 . . 3.720 1.979 1.905 2.030 . 0 0 "[ . 1 . 2]" 1
455 1 24 ARG H 1 24 ARG QB . . 3.340 2.187 2.074 2.294 . 0 0 "[ . 1 . 2]" 1
456 1 24 ARG H 1 24 ARG QD . . 4.700 4.154 3.442 4.570 . 0 0 "[ . 1 . 2]" 1
457 1 24 ARG H 1 24 ARG HG2 . . 4.210 3.813 2.444 4.296 0.086 18 0 "[ . 1 . 2]" 1
458 1 24 ARG H 1 25 LEU H . . 4.900 4.554 4.411 4.686 . 0 0 "[ . 1 . 2]" 1
459 1 24 ARG H 1 30 SER HA . . 5.500 5.088 4.761 5.414 . 0 0 "[ . 1 . 2]" 1
460 1 24 ARG H 1 64 ALA MB . . 5.010 4.221 3.747 4.745 . 0 0 "[ . 1 . 2]" 1
461 1 24 ARG H 1 66 VAL HA . . 4.080 3.664 3.177 4.125 0.045 19 0 "[ . 1 . 2]" 1
462 1 24 ARG HA 1 24 ARG QD . . 4.330 4.198 4.004 4.385 0.055 2 0 "[ . 1 . 2]" 1
463 1 24 ARG HA 1 24 ARG HG2 . . 4.140 3.379 2.955 3.820 . 0 0 "[ . 1 . 2]" 1
464 1 24 ARG HA 1 24 ARG HG3 . . 3.940 3.001 2.531 3.759 . 0 0 "[ . 1 . 2]" 1
465 1 24 ARG HA 1 25 LEU H . . 2.830 2.251 2.160 2.376 . 0 0 "[ . 1 . 2]" 1
466 1 24 ARG HA 1 25 LEU HA . . 4.510 4.501 4.429 4.543 0.033 9 0 "[ . 1 . 2]" 1
467 1 24 ARG HA 1 25 LEU QD . . 5.340 4.063 3.438 4.667 . 0 0 "[ . 1 . 2]" 1
468 1 24 ARG HA 1 26 GLY H . . 5.240 4.385 3.364 5.316 0.076 12 0 "[ . 1 . 2]" 1
469 1 24 ARG HA 1 30 SER HA . . 3.400 3.107 2.573 3.481 0.081 3 0 "[ . 1 . 2]" 1
470 1 24 ARG HA 1 30 SER HB2 . . 4.240 4.025 3.296 4.723 0.483 1 0 "[ . 1 . 2]" 1
471 1 24 ARG HA 1 30 SER HB3 . . 4.720 2.583 2.093 3.259 . 0 0 "[ . 1 . 2]" 1
472 1 24 ARG HA 1 31 PHE H . . 4.590 4.278 3.920 4.574 . 0 0 "[ . 1 . 2]" 1
473 1 24 ARG QB 1 25 LEU H . . 4.340 3.713 2.982 4.058 . 0 0 "[ . 1 . 2]" 1
474 1 24 ARG QB 1 26 GLY H . . 4.870 4.054 3.128 4.716 . 0 0 "[ . 1 . 2]" 1
475 1 24 ARG QB 1 65 GLU H . . 5.190 3.969 2.927 5.063 . 0 0 "[ . 1 . 2]" 1
476 1 24 ARG QD 1 25 LEU H . . 5.340 5.182 4.957 5.433 0.093 10 0 "[ . 1 . 2]" 1
477 1 24 ARG QD 1 65 GLU H . . 4.740 4.142 2.795 4.814 0.074 6 0 "[ . 1 . 2]" 1
478 1 24 ARG QD 1 65 GLU HB3 . . 5.320 4.446 3.119 5.223 . 0 0 "[ . 1 . 2]" 1
479 1 24 ARG QD 1 65 GLU HG2 . . 5.130 3.165 2.005 5.011 . 0 0 "[ . 1 . 2]" 1
480 1 24 ARG QD 1 65 GLU HG3 . . 4.920 3.087 2.209 4.168 . 0 0 "[ . 1 . 2]" 1
481 1 24 ARG HG2 1 25 LEU H . . 4.590 3.851 3.113 4.533 . 0 0 "[ . 1 . 2]" 1
482 1 24 ARG HG2 1 25 LEU HA . . 4.140 4.081 3.503 4.646 0.506 19 1 "[ . 1 . +2]" 1
483 1 24 ARG HG3 1 25 LEU H . . 4.440 3.627 3.214 3.855 . 0 0 "[ . 1 . 2]" 1
484 1 24 ARG HG3 1 26 GLY H . . 4.930 3.281 2.376 4.448 . 0 0 "[ . 1 . 2]" 1
485 1 25 LEU H 1 25 LEU QB . . 3.330 2.485 2.142 2.724 . 0 0 "[ . 1 . 2]" 1
486 1 25 LEU H 1 25 LEU QD . . 4.080 3.198 2.564 3.659 . 0 0 "[ . 1 . 2]" 1
487 1 25 LEU H 1 25 LEU HG . . 4.060 3.522 2.913 4.164 0.104 11 0 "[ . 1 . 2]" 1
488 1 25 LEU H 1 26 GLY H . . 3.900 3.247 2.244 3.933 0.033 1 0 "[ . 1 . 2]" 1
489 1 25 LEU H 1 29 GLY H . . 4.360 4.066 3.588 4.439 0.079 14 0 "[ . 1 . 2]" 1
490 1 25 LEU H 1 29 GLY QA . . 4.090 4.107 3.890 4.210 0.120 11 0 "[ . 1 . 2]" 1
491 1 25 LEU H 1 30 SER H . . 5.110 3.530 2.239 4.568 . 0 0 "[ . 1 . 2]" 1
492 1 25 LEU H 1 30 SER HA . . 3.370 2.166 1.764 2.512 . 0 0 "[ . 1 . 2]" 1
493 1 25 LEU H 1 30 SER HB2 . . 4.670 4.354 3.758 4.741 0.071 8 0 "[ . 1 . 2]" 1
494 1 25 LEU H 1 30 SER HB3 . . 4.610 3.287 2.389 4.301 . 0 0 "[ . 1 . 2]" 1
495 1 25 LEU H 1 31 PHE H . . 4.750 4.233 3.827 4.790 0.040 16 0 "[ . 1 . 2]" 1
496 1 25 LEU HA 1 25 LEU QD . . 3.010 2.159 2.004 2.363 . 0 0 "[ . 1 . 2]" 1
497 1 25 LEU HA 1 25 LEU HG . . 3.430 3.250 2.580 3.526 0.096 17 0 "[ . 1 . 2]" 1
498 1 25 LEU HA 1 26 GLY H . . 3.190 2.589 2.206 3.240 0.050 11 0 "[ . 1 . 2]" 1
499 1 25 LEU HA 1 26 GLY HA3 . . 4.550 4.398 4.149 4.632 0.082 18 0 "[ . 1 . 2]" 1
500 1 25 LEU QB 1 26 GLY H . . 4.330 3.785 3.398 3.937 . 0 0 "[ . 1 . 2]" 1
501 1 25 LEU QB 1 26 GLY HA3 . . 5.070 4.410 4.165 5.260 0.190 1 0 "[ . 1 . 2]" 1
502 1 25 LEU QB 1 29 GLY H . . 4.470 3.773 1.979 4.410 . 0 0 "[ . 1 . 2]" 1
503 1 25 LEU QB 1 29 GLY QA . . 3.630 2.785 2.514 3.155 . 0 0 "[ . 1 . 2]" 1
504 1 25 LEU QB 1 30 SER H . . 4.840 2.965 1.668 3.818 . 0 0 "[ . 1 . 2]" 1
505 1 25 LEU QB 1 30 SER HA . . 4.630 2.562 2.036 3.075 . 0 0 "[ . 1 . 2]" 1
506 1 25 LEU QB 1 59 THR MG . . 5.500 3.438 3.051 4.070 . 0 0 "[ . 1 . 2]" 1
507 1 25 LEU QD 1 26 GLY H . . 5.010 4.083 3.687 4.415 . 0 0 "[ . 1 . 2]" 1
508 1 25 LEU QD 1 29 GLY H . . 5.500 5.028 3.458 5.357 . 0 0 "[ . 1 . 2]" 1
509 1 25 LEU QD 1 29 GLY QA . . 4.220 3.709 3.137 4.177 . 0 0 "[ . 1 . 2]" 1
510 1 25 LEU QD 1 30 SER H . . 4.870 3.507 2.852 4.649 . 0 0 "[ . 1 . 2]" 1
511 1 25 LEU QD 1 30 SER HA . . 4.930 2.664 1.914 3.326 . 0 0 "[ . 1 . 2]" 1
512 1 25 LEU QD 1 30 SER HB2 . . 5.500 4.525 3.558 5.233 . 0 0 "[ . 1 . 2]" 1
513 1 25 LEU QD 1 31 PHE H . . 4.330 2.844 1.781 3.682 . 0 0 "[ . 1 . 2]" 1
514 1 25 LEU QD 1 31 PHE HB2 . . 3.710 2.272 2.055 2.735 . 0 0 "[ . 1 . 2]" 1
515 1 25 LEU QD 1 31 PHE HB3 . . 4.010 2.710 2.192 3.346 . 0 0 "[ . 1 . 2]" 1
516 1 25 LEU QD 1 31 PHE QD . . 4.790 3.723 3.279 4.111 . 0 0 "[ . 1 . 2]" 1
517 1 25 LEU QD 1 55 PRO HB2 . . 5.060 4.089 3.606 4.468 . 0 0 "[ . 1 . 2]" 1
518 1 25 LEU QD 1 56 PRO HD2 . . 4.080 3.304 2.987 3.657 . 0 0 "[ . 1 . 2]" 1
519 1 25 LEU QD 1 56 PRO HD3 . . 4.270 4.018 3.463 4.184 . 0 0 "[ . 1 . 2]" 1
520 1 25 LEU QD 1 56 PRO QG . . 4.780 3.103 2.771 3.949 . 0 0 "[ . 1 . 2]" 1
521 1 25 LEU QD 1 59 THR HA . . 4.400 3.934 3.586 4.268 . 0 0 "[ . 1 . 2]" 1
522 1 25 LEU QD 1 59 THR HB . . 3.830 3.643 3.162 3.792 . 0 0 "[ . 1 . 2]" 1
523 1 25 LEU QD 1 60 LEU H . . 4.890 4.701 4.517 4.854 . 0 0 "[ . 1 . 2]" 1
524 1 25 LEU QD 1 60 LEU HA . . 4.150 4.062 3.871 4.191 0.041 6 0 "[ . 1 . 2]" 1
525 1 25 LEU QD 1 61 SER H . . 5.300 5.234 5.042 5.302 0.002 13 0 "[ . 1 . 2]" 1
526 1 25 LEU HG 1 30 SER HA . . 3.600 2.886 2.074 3.713 0.113 11 0 "[ . 1 . 2]" 1
527 1 25 LEU HG 1 31 PHE H . . 4.700 3.591 2.272 4.786 0.086 14 0 "[ . 1 . 2]" 1
528 1 26 GLY H 1 26 GLY HA3 . . 2.930 2.850 2.347 2.985 0.055 17 0 "[ . 1 . 2]" 1
529 1 26 GLY H 1 27 ASP H . . 5.240 3.708 2.561 4.665 . 0 0 "[ . 1 . 2]" 1
530 1 27 ASP H 1 28 THR H . . 5.270 2.845 1.654 3.863 . 0 0 "[ . 1 . 2]" 1
531 1 27 ASP HA 1 27 ASP HB3 . . 2.970 2.639 2.339 3.022 0.052 7 0 "[ . 1 . 2]" 1
532 1 27 ASP HA 1 28 THR MG . . 5.500 4.788 3.181 5.577 0.077 14 0 "[ . 1 . 2]" 1
533 1 27 ASP HA 1 29 GLY H . . 5.170 4.466 3.813 5.244 0.074 1 0 "[ . 1 . 2]" 1
534 1 27 ASP HB2 1 28 THR H . . 5.500 3.341 1.950 4.577 . 0 0 "[ . 1 . 2]" 1
535 1 27 ASP HB2 1 28 THR MG . . 5.280 4.065 2.364 5.201 . 0 0 "[ . 1 . 2]" 1
536 1 27 ASP HB2 1 29 GLY H . . 5.500 5.432 4.606 6.169 0.669 17 1 "[ . 1 . + 2]" 1
537 1 27 ASP HB3 1 28 THR H . . 4.900 3.610 2.321 4.508 . 0 0 "[ . 1 . 2]" 1
538 1 27 ASP HB3 1 28 THR MG . . 5.090 4.006 2.489 5.258 0.168 11 0 "[ . 1 . 2]" 1
539 1 28 THR H 1 28 THR MG . . 4.800 2.801 1.925 3.958 . 0 0 "[ . 1 . 2]" 1
540 1 28 THR H 1 29 GLY H . . 3.610 2.596 1.793 3.676 0.066 9 0 "[ . 1 . 2]" 1
541 1 28 THR HA 1 28 THR MG . . 3.330 2.618 2.160 3.287 . 0 0 "[ . 1 . 2]" 1
542 1 28 THR MG 1 29 GLY H . . 5.110 3.853 2.326 4.521 . 0 0 "[ . 1 . 2]" 1
543 1 29 GLY H 1 30 SER H . . 4.530 3.629 2.455 4.468 . 0 0 "[ . 1 . 2]" 1
544 1 29 GLY QA 1 30 SER H . . 2.820 2.254 1.880 2.918 0.098 4 0 "[ . 1 . 2]" 1
545 1 29 GLY QA 1 30 SER HA . . 4.820 3.912 3.810 4.055 . 0 0 "[ . 1 . 2]" 1
546 1 29 GLY QA 1 30 SER HB2 . . 5.120 4.915 4.318 5.228 0.108 16 0 "[ . 1 . 2]" 1
547 1 30 SER H 1 30 SER HB2 . . 4.120 3.489 2.649 4.041 . 0 0 "[ . 1 . 2]" 1
548 1 30 SER H 1 30 SER HB3 . . 4.010 3.771 3.132 4.056 0.046 8 0 "[ . 1 . 2]" 1
549 1 30 SER H 1 31 PHE H . . 4.810 4.357 4.038 4.648 . 0 0 "[ . 1 . 2]" 1
550 1 30 SER HA 1 31 PHE H . . 2.960 2.390 2.178 2.562 . 0 0 "[ . 1 . 2]" 1
551 1 30 SER HA 1 31 PHE HB2 . . 4.800 4.531 4.204 4.845 0.045 18 0 "[ . 1 . 2]" 1
552 1 30 SER HA 1 31 PHE HB3 . . 5.080 4.489 4.217 4.818 . 0 0 "[ . 1 . 2]" 1
553 1 30 SER HB2 1 31 PHE H . . 3.600 3.064 2.218 3.813 0.213 18 0 "[ . 1 . 2]" 1
554 1 30 SER HB3 1 31 PHE H . . 3.750 2.887 2.272 3.500 . 0 0 "[ . 1 . 2]" 1
555 1 31 PHE H 1 31 PHE HB2 . . 3.850 3.182 2.822 3.489 . 0 0 "[ . 1 . 2]" 1
556 1 31 PHE H 1 31 PHE HB3 . . 3.610 2.591 2.333 2.951 . 0 0 "[ . 1 . 2]" 1
557 1 31 PHE H 1 31 PHE QD . . 4.350 4.219 4.088 4.409 0.059 1 0 "[ . 1 . 2]" 1
558 1 31 PHE H 1 32 ASP H . . 4.880 4.343 3.860 4.608 . 0 0 "[ . 1 . 2]" 1
559 1 31 PHE HA 1 31 PHE QD . . 3.310 2.755 2.395 3.047 . 0 0 "[ . 1 . 2]" 1
560 1 31 PHE HA 1 32 ASP H . . 2.860 2.322 2.014 2.534 . 0 0 "[ . 1 . 2]" 1
561 1 31 PHE HA 1 32 ASP HB3 . . 4.980 4.725 4.275 5.750 0.770 15 2 "[ . 1 + -2]" 1
562 1 31 PHE HB2 1 32 ASP H . . 4.180 4.114 3.879 4.274 0.094 10 0 "[ . 1 . 2]" 1
563 1 31 PHE HB2 1 55 PRO HA . . 4.850 4.233 3.397 4.923 0.073 1 0 "[ . 1 . 2]" 1
564 1 31 PHE HB2 1 55 PRO HB3 . . 4.420 3.594 2.801 4.315 . 0 0 "[ . 1 . 2]" 1
565 1 31 PHE HB2 1 59 THR MG . . 4.760 4.411 3.926 4.743 . 0 0 "[ . 1 . 2]" 1
566 1 31 PHE HB3 1 32 ASP H . . 4.650 4.116 3.784 4.371 . 0 0 "[ . 1 . 2]" 1
567 1 31 PHE HB3 1 55 PRO HB2 . . 5.170 4.875 4.266 5.221 0.051 4 0 "[ . 1 . 2]" 1
568 1 31 PHE HB3 1 59 THR MG . . 4.760 4.791 4.272 4.861 0.101 17 0 "[ . 1 . 2]" 1
569 1 31 PHE QD 1 32 ASP H . . 3.910 3.252 2.349 3.866 . 0 0 "[ . 1 . 2]" 1
570 1 31 PHE QD 1 55 PRO HA . . 3.870 3.225 2.778 3.960 0.090 4 0 "[ . 1 . 2]" 1
571 1 31 PHE QD 1 55 PRO HB2 . . 4.920 4.461 4.273 4.612 . 0 0 "[ . 1 . 2]" 1
572 1 31 PHE QD 1 56 PRO HD2 . . 4.900 3.990 3.391 4.926 0.026 5 0 "[ . 1 . 2]" 1
573 1 31 PHE QD 1 56 PRO HD3 . . 4.890 3.673 2.886 4.976 0.086 18 0 "[ . 1 . 2]" 1
574 1 31 PHE QD 1 60 LEU QD . . 4.790 3.961 3.062 4.376 . 0 0 "[ . 1 . 2]" 1
575 1 31 PHE QE 1 33 GLY H . . 4.740 3.972 3.058 4.805 0.065 10 0 "[ . 1 . 2]" 1
576 1 31 PHE QE 1 33 GLY HA2 . . 4.500 4.147 3.446 4.561 0.061 1 0 "[ . 1 . 2]" 1
577 1 31 PHE QE 1 33 GLY HA3 . . 4.310 2.891 2.284 3.391 . 0 0 "[ . 1 . 2]" 1
578 1 31 PHE QE 1 34 THR H . . 5.130 4.845 4.259 5.212 0.082 1 0 "[ . 1 . 2]" 1
579 1 31 PHE QE 1 54 GLN H . . 4.820 4.257 3.028 4.903 0.083 20 0 "[ . 1 . 2]" 1
580 1 31 PHE QE 1 55 PRO HD2 . . 5.140 4.448 4.164 5.027 . 0 0 "[ . 1 . 2]" 1
581 1 31 PHE QE 1 55 PRO HG2 . . 5.310 5.106 4.660 5.384 0.074 3 0 "[ . 1 . 2]" 1
582 1 32 ASP H 1 32 ASP HB2 . . 3.690 3.442 2.588 3.791 0.101 14 0 "[ . 1 . 2]" 1
583 1 32 ASP H 1 32 ASP HB3 . . 3.500 3.006 2.631 3.782 0.282 19 0 "[ . 1 . 2]" 1
584 1 32 ASP H 1 33 GLY H . . 4.740 4.149 3.832 4.518 . 0 0 "[ . 1 . 2]" 1
585 1 32 ASP HA 1 33 GLY H . . 2.900 2.191 1.981 2.339 . 0 0 "[ . 1 . 2]" 1
586 1 32 ASP HB2 1 33 GLY H . . 4.080 3.836 2.938 4.451 0.371 1 0 "[ . 1 . 2]" 1
587 1 32 ASP HB3 1 33 GLY H . . 4.380 4.051 2.561 4.468 0.088 11 0 "[ . 1 . 2]" 1
588 1 33 GLY HA2 1 34 THR H . . 3.190 2.709 2.444 2.873 . 0 0 "[ . 1 . 2]" 1
589 1 33 GLY HA2 1 34 THR HA . . 4.980 4.550 4.410 4.657 . 0 0 "[ . 1 . 2]" 1
590 1 33 GLY HA2 1 34 THR MG . . 5.350 5.106 4.356 5.449 0.099 15 0 "[ . 1 . 2]" 1
591 1 33 GLY HA3 1 34 THR H . . 3.190 2.517 2.404 2.704 . 0 0 "[ . 1 . 2]" 1
592 1 34 THR H 1 34 THR HB . . 3.570 3.061 2.623 3.562 . 0 0 "[ . 1 . 2]" 1
593 1 34 THR H 1 34 THR MG . . 4.110 3.833 3.349 4.004 . 0 0 "[ . 1 . 2]" 1
594 1 34 THR H 1 49 LEU QD . . 4.990 3.377 3.113 3.709 . 0 0 "[ . 1 . 2]" 1
595 1 34 THR H 1 50 PHE H . . 4.390 4.389 3.907 4.475 0.085 8 0 "[ . 1 . 2]" 1
596 1 34 THR H 1 50 PHE QB . . 4.740 3.587 2.972 4.639 . 0 0 "[ . 1 . 2]" 1
597 1 34 THR H 1 50 PHE QD . . 5.160 5.113 4.732 5.252 0.092 20 0 "[ . 1 . 2]" 1
598 1 34 THR HA 1 34 THR MG . . 2.970 2.239 2.153 2.358 . 0 0 "[ . 1 . 2]" 1
599 1 34 THR HA 1 35 ALA H . . 2.820 2.358 2.145 2.502 . 0 0 "[ . 1 . 2]" 1
600 1 34 THR HB 1 35 ALA H . . 3.780 3.502 2.666 3.848 0.068 16 0 "[ . 1 . 2]" 1
601 1 34 THR HB 1 50 PHE H . . 5.330 4.536 3.861 5.130 . 0 0 "[ . 1 . 2]" 1
602 1 34 THR HB 1 50 PHE QB . . 4.210 2.351 2.039 2.741 . 0 0 "[ . 1 . 2]" 1
603 1 34 THR HB 1 50 PHE QE . . 4.580 4.461 4.057 4.671 0.091 16 0 "[ . 1 . 2]" 1
604 1 34 THR MG 1 35 ALA H . . 3.470 2.603 2.068 3.352 . 0 0 "[ . 1 . 2]" 1
605 1 34 THR MG 1 50 PHE QB . . 3.850 3.596 3.059 3.955 0.105 20 0 "[ . 1 . 2]" 1
606 1 34 THR MG 1 50 PHE QE . . 4.470 3.762 2.705 4.570 0.100 10 0 "[ . 1 . 2]" 1
607 1 35 ALA H 1 35 ALA MB . . 3.370 2.742 2.662 2.881 . 0 0 "[ . 1 . 2]" 1
608 1 35 ALA H 1 36 ALA H . . 4.350 4.309 4.211 4.404 0.054 13 0 "[ . 1 . 2]" 1
609 1 35 ALA H 1 36 ALA HA . . 5.260 4.691 4.457 4.866 . 0 0 "[ . 1 . 2]" 1
610 1 35 ALA H 1 49 LEU HA . . 5.360 4.859 4.599 5.235 . 0 0 "[ . 1 . 2]" 1
611 1 35 ALA H 1 50 PHE QE . . 5.500 5.019 4.079 5.573 0.073 2 0 "[ . 1 . 2]" 1
612 1 35 ALA HA 1 36 ALA H . . 3.050 2.337 2.156 2.542 . 0 0 "[ . 1 . 2]" 1
613 1 35 ALA HA 1 49 LEU HA . . 3.190 2.669 2.294 3.238 0.048 4 0 "[ . 1 . 2]" 1
614 1 35 ALA HA 1 49 LEU HB3 . . 5.060 4.767 4.565 5.144 0.084 17 0 "[ . 1 . 2]" 1
615 1 35 ALA HA 1 49 LEU QD . . 4.950 3.630 3.414 3.752 . 0 0 "[ . 1 . 2]" 1
616 1 35 ALA HA 1 50 PHE H . . 3.400 3.289 2.505 3.501 0.101 11 0 "[ . 1 . 2]" 1
617 1 35 ALA HA 1 50 PHE QB . . 4.170 2.948 2.108 3.824 . 0 0 "[ . 1 . 2]" 1
618 1 35 ALA HA 1 50 PHE QD . . 3.730 2.504 2.287 3.082 . 0 0 "[ . 1 . 2]" 1
619 1 35 ALA HA 1 50 PHE QE . . 4.440 4.441 3.959 4.540 0.100 18 0 "[ . 1 . 2]" 1
620 1 35 ALA MB 1 36 ALA H . . 3.180 2.530 2.170 2.892 . 0 0 "[ . 1 . 2]" 1
621 1 35 ALA MB 1 47 LEU HA . . 3.950 3.542 3.219 3.973 0.023 11 0 "[ . 1 . 2]" 1
622 1 35 ALA MB 1 47 LEU HB2 . . 4.110 3.257 2.571 3.730 . 0 0 "[ . 1 . 2]" 1
623 1 35 ALA MB 1 47 LEU HB3 . . 3.130 2.102 1.933 2.333 . 0 0 "[ . 1 . 2]" 1
624 1 35 ALA MB 1 47 LEU QD . . 3.360 2.490 1.986 3.213 . 0 0 "[ . 1 . 2]" 1
625 1 35 ALA MB 1 48 GLU H . . 3.810 2.459 2.170 2.868 . 0 0 "[ . 1 . 2]" 1
626 1 35 ALA MB 1 48 GLU HG2 . . 5.500 4.639 3.806 6.139 0.639 4 1 "[ +. 1 . 2]" 1
627 1 35 ALA MB 1 49 LEU H . . 5.380 2.506 2.130 3.620 . 0 0 "[ . 1 . 2]" 1
628 1 35 ALA MB 1 49 LEU HA . . 3.360 2.140 1.977 2.529 . 0 0 "[ . 1 . 2]" 1
629 1 35 ALA MB 1 50 PHE H . . 4.190 3.980 3.423 4.268 0.078 14 0 "[ . 1 . 2]" 1
630 1 35 ALA MB 1 50 PHE QB . . 5.160 4.271 3.643 4.998 . 0 0 "[ . 1 . 2]" 1
631 1 36 ALA H 1 36 ALA MB . . 3.100 2.277 2.080 2.379 . 0 0 "[ . 1 . 2]" 1
632 1 36 ALA H 1 37 ILE H . . 5.270 4.486 4.401 4.585 . 0 0 "[ . 1 . 2]" 1
633 1 36 ALA H 1 47 LEU HB3 . . 5.260 4.391 3.742 5.116 . 0 0 "[ . 1 . 2]" 1
634 1 36 ALA H 1 47 LEU QD . . 5.500 4.391 3.728 5.141 . 0 0 "[ . 1 . 2]" 1
635 1 36 ALA H 1 48 GLU H . . 3.590 3.244 2.820 3.613 0.023 4 0 "[ . 1 . 2]" 1
636 1 36 ALA H 1 48 GLU QB . . 4.820 4.833 4.206 4.929 0.109 13 0 "[ . 1 . 2]" 1
637 1 36 ALA H 1 49 LEU HA . . 4.590 4.118 3.941 4.282 . 0 0 "[ . 1 . 2]" 1
638 1 36 ALA H 1 50 PHE H . . 5.360 4.943 4.320 5.285 . 0 0 "[ . 1 . 2]" 1
639 1 36 ALA H 1 50 PHE QB . . 4.990 4.524 3.835 5.065 0.075 16 0 "[ . 1 . 2]" 1
640 1 36 ALA H 1 50 PHE QD . . 4.040 2.902 2.302 3.331 . 0 0 "[ . 1 . 2]" 1
641 1 36 ALA H 1 50 PHE QE . . 4.030 3.845 3.282 4.101 0.071 19 0 "[ . 1 . 2]" 1
642 1 36 ALA HA 1 37 ILE H . . 2.930 2.240 2.120 2.330 . 0 0 "[ . 1 . 2]" 1
643 1 36 ALA HA 1 37 ILE HB . . 4.660 4.592 4.426 4.733 0.073 15 0 "[ . 1 . 2]" 1
644 1 36 ALA HA 1 37 ILE HG13 . . 5.100 3.859 3.603 4.070 . 0 0 "[ . 1 . 2]" 1
645 1 36 ALA HA 1 48 GLU H . . 5.260 5.140 4.801 5.341 0.081 15 0 "[ . 1 . 2]" 1
646 1 36 ALA MB 1 37 ILE H . . 3.330 2.857 2.644 3.101 . 0 0 "[ . 1 . 2]" 1
647 1 36 ALA MB 1 37 ILE HA . . 4.670 4.316 4.226 4.455 . 0 0 "[ . 1 . 2]" 1
648 1 36 ALA MB 1 37 ILE HB . . 4.910 4.538 4.208 4.745 . 0 0 "[ . 1 . 2]" 1
649 1 36 ALA MB 1 38 THR HA . . 5.000 4.770 4.459 5.074 0.074 17 0 "[ . 1 . 2]" 1
650 1 36 ALA MB 1 47 LEU QD . . 5.500 4.518 4.066 5.062 . 0 0 "[ . 1 . 2]" 1
651 1 36 ALA MB 1 48 GLU H . . 4.220 3.816 3.505 4.255 0.035 15 0 "[ . 1 . 2]" 1
652 1 36 ALA MB 1 50 PHE QB . . 5.240 5.056 4.660 5.352 0.112 5 0 "[ . 1 . 2]" 1
653 1 36 ALA MB 1 50 PHE QD . . 3.430 3.301 2.832 3.545 0.115 17 0 "[ . 1 . 2]" 1
654 1 36 ALA MB 1 50 PHE QE . . 4.050 2.470 2.048 2.949 . 0 0 "[ . 1 . 2]" 1
655 1 37 ILE H 1 37 ILE HB . . 3.220 2.384 2.254 2.464 . 0 0 "[ . 1 . 2]" 1
656 1 37 ILE H 1 37 ILE MD . . 4.060 3.604 3.380 3.862 . 0 0 "[ . 1 . 2]" 1
657 1 37 ILE H 1 37 ILE HG12 . . 3.560 3.606 3.238 3.708 0.148 17 0 "[ . 1 . 2]" 1
658 1 37 ILE H 1 37 ILE HG13 . . 3.820 2.380 2.299 2.484 . 0 0 "[ . 1 . 2]" 1
659 1 37 ILE H 1 37 ILE MG . . 4.070 3.763 3.700 3.809 . 0 0 "[ . 1 . 2]" 1
660 1 37 ILE H 1 38 THR H . . 5.090 4.505 4.456 4.551 . 0 0 "[ . 1 . 2]" 1
661 1 37 ILE H 1 38 THR MG . . 5.500 4.695 4.369 5.584 0.084 6 0 "[ . 1 . 2]" 1
662 1 37 ILE H 1 47 LEU QD . . 4.610 3.636 3.193 3.945 . 0 0 "[ . 1 . 2]" 1
663 1 37 ILE HA 1 37 ILE MD . . 4.020 3.913 3.800 3.978 . 0 0 "[ . 1 . 2]" 1
664 1 37 ILE HA 1 37 ILE HG12 . . 4.070 2.573 2.399 2.698 . 0 0 "[ . 1 . 2]" 1
665 1 37 ILE HA 1 37 ILE MG . . 3.190 2.518 2.441 2.584 . 0 0 "[ . 1 . 2]" 1
666 1 37 ILE HA 1 38 THR H . . 3.050 2.293 2.218 2.418 . 0 0 "[ . 1 . 2]" 1
667 1 37 ILE HA 1 38 THR MG . . 4.190 3.521 3.155 4.030 . 0 0 "[ . 1 . 2]" 1
668 1 37 ILE HA 1 39 SER H . . 4.430 4.000 3.827 4.286 . 0 0 "[ . 1 . 2]" 1
669 1 37 ILE HA 1 47 LEU HA . . 3.470 2.446 2.205 2.703 . 0 0 "[ . 1 . 2]" 1
670 1 37 ILE HA 1 47 LEU QD . . 3.300 2.128 1.984 2.339 . 0 0 "[ . 1 . 2]" 1
671 1 37 ILE HA 1 48 GLU H . . 4.410 4.206 3.922 4.451 0.041 9 0 "[ . 1 . 2]" 1
672 1 37 ILE HB 1 37 ILE MD . . 3.310 2.505 2.318 2.742 . 0 0 "[ . 1 . 2]" 1
673 1 37 ILE HB 1 38 THR H . . 5.220 3.769 3.663 3.923 . 0 0 "[ . 1 . 2]" 1
674 1 37 ILE HB 1 47 LEU QD . . 4.610 4.091 3.844 4.207 . 0 0 "[ . 1 . 2]" 1
675 1 37 ILE MD 1 38 THR H . . 5.410 4.804 4.553 4.926 . 0 0 "[ . 1 . 2]" 1
676 1 37 ILE MD 1 47 LEU QD . . 3.970 3.268 3.047 3.437 . 0 0 "[ . 1 . 2]" 1
677 1 37 ILE HG12 1 37 ILE MG . . 3.560 2.329 2.245 2.522 . 0 0 "[ . 1 . 2]" 1
678 1 37 ILE HG12 1 38 THR H . . 5.500 4.168 3.976 4.333 . 0 0 "[ . 1 . 2]" 1
679 1 37 ILE HG12 1 47 LEU HA . . 4.730 4.382 4.093 4.761 0.031 9 0 "[ . 1 . 2]" 1
680 1 37 ILE HG12 1 47 LEU QD . . 3.870 2.122 1.968 2.206 . 0 0 "[ . 1 . 2]" 1
681 1 37 ILE HG13 1 47 LEU QD . . 3.010 2.760 2.425 3.101 0.091 7 0 "[ . 1 . 2]" 1
682 1 37 ILE MG 1 38 THR H . . 3.620 2.131 2.020 2.286 . 0 0 "[ . 1 . 2]" 1
683 1 37 ILE MG 1 38 THR HA . . 4.870 3.689 3.589 3.804 . 0 0 "[ . 1 . 2]" 1
684 1 37 ILE MG 1 39 SER H . . 3.310 2.546 2.113 3.185 . 0 0 "[ . 1 . 2]" 1
685 1 37 ILE MG 1 39 SER HA . . 4.770 3.822 3.567 4.249 . 0 0 "[ . 1 . 2]" 1
686 1 37 ILE MG 1 40 LEU H . . 5.240 4.210 3.870 4.713 . 0 0 "[ . 1 . 2]" 1
687 1 37 ILE MG 1 40 LEU HA . . 4.830 3.843 3.458 4.290 . 0 0 "[ . 1 . 2]" 1
688 1 37 ILE MG 1 40 LEU HB2 . . 3.400 2.583 2.235 3.370 . 0 0 "[ . 1 . 2]" 1
689 1 37 ILE MG 1 46 TRP H . . 4.070 2.832 2.453 3.287 . 0 0 "[ . 1 . 2]" 1
690 1 37 ILE MG 1 47 LEU HA . . 4.890 4.213 3.959 4.536 . 0 0 "[ . 1 . 2]" 1
691 1 37 ILE MG 1 47 LEU QD . . 4.090 3.010 2.740 3.323 . 0 0 "[ . 1 . 2]" 1
692 1 38 THR H 1 38 THR HB . . 3.980 3.758 3.096 3.920 . 0 0 "[ . 1 . 2]" 1
693 1 38 THR H 1 38 THR MG . . 3.370 2.974 2.349 3.393 0.023 19 0 "[ . 1 . 2]" 1
694 1 38 THR H 1 39 SER H . . 3.030 1.875 1.700 2.223 . 0 0 "[ . 1 . 2]" 1
695 1 38 THR H 1 39 SER QB . . 5.090 4.399 4.146 4.611 . 0 0 "[ . 1 . 2]" 1
696 1 38 THR H 1 46 TRP H . . 4.890 3.475 3.264 3.749 . 0 0 "[ . 1 . 2]" 1
697 1 38 THR H 1 46 TRP HB2 . . 5.160 4.033 3.778 4.345 . 0 0 "[ . 1 . 2]" 1
698 1 38 THR H 1 46 TRP HB3 . . 5.070 4.422 4.064 4.773 . 0 0 "[ . 1 . 2]" 1
699 1 38 THR H 1 47 LEU HA . . 3.670 3.458 3.020 3.719 0.049 1 0 "[ . 1 . 2]" 1
700 1 38 THR H 1 47 LEU QD . . 4.120 3.656 3.423 3.881 . 0 0 "[ . 1 . 2]" 1
701 1 38 THR H 1 48 GLU H . . 5.340 5.295 4.917 5.421 0.081 7 0 "[ . 1 . 2]" 1
702 1 38 THR HA 1 38 THR HB . . 2.960 2.508 2.353 2.651 . 0 0 "[ . 1 . 2]" 1
703 1 38 THR HA 1 38 THR MG . . 3.030 2.457 2.174 3.160 0.130 8 0 "[ . 1 . 2]" 1
704 1 38 THR HB 1 39 SER H . . 4.060 3.842 3.318 4.143 0.083 8 0 "[ . 1 . 2]" 1
705 1 38 THR HB 1 46 TRP HB3 . . 4.910 4.839 4.566 4.992 0.082 6 0 "[ . 1 . 2]" 1
706 1 38 THR MG 1 39 SER H . . 4.330 3.898 2.513 4.320 . 0 0 "[ . 1 . 2]" 1
707 1 38 THR MG 1 39 SER QB . . 5.240 5.060 3.059 5.357 0.117 10 0 "[ . 1 . 2]" 1
708 1 38 THR MG 1 46 TRP HB2 . . 5.220 4.760 2.639 5.323 0.103 1 0 "[ . 1 . 2]" 1
709 1 38 THR MG 1 46 TRP HB3 . . 5.430 4.250 2.389 4.937 . 0 0 "[ . 1 . 2]" 1
710 1 38 THR MG 1 47 LEU HA . . 3.920 3.081 2.477 3.741 . 0 0 "[ . 1 . 2]" 1
711 1 38 THR MG 1 47 LEU QD . . 5.360 4.222 3.879 4.908 . 0 0 "[ . 1 . 2]" 1
712 1 38 THR MG 1 48 GLU H . . 3.740 3.342 2.974 3.836 0.096 8 0 "[ . 1 . 2]" 1
713 1 38 THR MG 1 48 GLU HA . . 4.620 4.312 3.963 4.709 0.089 20 0 "[ . 1 . 2]" 1
714 1 38 THR MG 1 48 GLU QB . . 3.080 2.397 2.096 2.827 . 0 0 "[ . 1 . 2]" 1
715 1 39 SER H 1 39 SER QB . . 3.770 2.765 2.556 2.932 . 0 0 "[ . 1 . 2]" 1
716 1 39 SER H 1 40 LEU H . . 4.390 4.299 4.183 4.451 0.061 10 0 "[ . 1 . 2]" 1
717 1 39 SER H 1 45 ALA HA . . 4.960 4.587 4.416 4.813 . 0 0 "[ . 1 . 2]" 1
718 1 39 SER H 1 46 TRP H . . 3.570 2.821 2.642 2.940 . 0 0 "[ . 1 . 2]" 1
719 1 39 SER H 1 46 TRP HB2 . . 3.710 2.919 2.450 3.167 . 0 0 "[ . 1 . 2]" 1
720 1 39 SER H 1 46 TRP HB3 . . 4.160 3.934 3.339 4.217 0.057 14 0 "[ . 1 . 2]" 1
721 1 39 SER H 1 47 LEU HA . . 5.020 4.858 4.448 5.083 0.063 4 0 "[ . 1 . 2]" 1
722 1 39 SER H 1 47 LEU QD . . 5.500 4.638 4.245 5.088 . 0 0 "[ . 1 . 2]" 1
723 1 39 SER HA 1 40 LEU H . . 2.880 2.326 2.224 2.434 . 0 0 "[ . 1 . 2]" 1
724 1 39 SER QB 1 40 LEU H . . 3.540 2.954 2.637 3.431 . 0 0 "[ . 1 . 2]" 1
725 1 39 SER QB 1 46 TRP H . . 3.520 3.527 2.893 3.612 0.092 17 0 "[ . 1 . 2]" 1
726 1 39 SER QB 1 46 TRP HB2 . . 3.710 2.219 2.017 2.452 . 0 0 "[ . 1 . 2]" 1
727 1 39 SER QB 1 46 TRP HB3 . . 4.270 3.664 3.169 4.021 . 0 0 "[ . 1 . 2]" 1
728 1 39 SER QB 1 46 TRP HD1 . . 3.460 3.283 2.467 3.534 0.074 14 0 "[ . 1 . 2]" 1
729 1 39 SER QB 1 46 TRP HE1 . . 5.380 5.208 4.546 5.459 0.079 8 0 "[ . 1 . 2]" 1
730 1 40 LEU H 1 40 LEU HB2 . . 4.060 3.164 2.443 3.529 . 0 0 "[ . 1 . 2]" 1
731 1 40 LEU H 1 40 LEU HB3 . . 3.570 2.897 2.503 3.376 . 0 0 "[ . 1 . 2]" 1
732 1 40 LEU H 1 41 LYS H . . 4.570 4.160 3.603 4.504 . 0 0 "[ . 1 . 2]" 1
733 1 40 LEU H 1 41 LYS HA . . 4.970 4.816 4.488 5.034 0.064 9 0 "[ . 1 . 2]" 1
734 1 40 LEU HA 1 40 LEU QD . . 3.150 2.500 2.210 3.023 . 0 0 "[ . 1 . 2]" 1
735 1 40 LEU HA 1 41 LYS H . . 2.890 2.157 2.007 2.292 . 0 0 "[ . 1 . 2]" 1
736 1 40 LEU HA 1 41 LYS HB3 . . 5.270 4.741 4.391 5.542 0.272 2 0 "[ . 1 . 2]" 1
737 1 40 LEU HA 1 45 ALA H . . 5.120 4.727 4.600 4.881 . 0 0 "[ . 1 . 2]" 1
738 1 40 LEU HA 1 45 ALA HA . . 3.400 2.126 2.003 2.308 . 0 0 "[ . 1 . 2]" 1
739 1 40 LEU HA 1 45 ALA MB . . 4.560 3.227 2.706 3.734 . 0 0 "[ . 1 . 2]" 1
740 1 40 LEU HA 1 46 TRP H . . 4.190 3.689 3.493 3.896 . 0 0 "[ . 1 . 2]" 1
741 1 40 LEU HB2 1 40 LEU QD . . 3.250 2.215 2.123 2.488 . 0 0 "[ . 1 . 2]" 1
742 1 40 LEU HB2 1 41 LYS H . . 4.730 4.298 3.844 4.579 . 0 0 "[ . 1 . 2]" 1
743 1 40 LEU HB3 1 41 LYS H . . 4.680 4.080 3.631 4.468 . 0 0 "[ . 1 . 2]" 1
744 1 40 LEU HB3 1 45 ALA HA . . 4.830 4.811 4.354 4.918 0.088 13 0 "[ . 1 . 2]" 1
745 1 40 LEU QD 1 41 LYS H . . 3.380 2.555 1.771 3.363 . 0 0 "[ . 1 . 2]" 1
746 1 40 LEU QD 1 44 LEU H . . 4.300 3.346 2.867 4.049 . 0 0 "[ . 1 . 2]" 1
747 1 40 LEU QD 1 45 ALA H . . 4.470 4.172 3.502 4.497 0.027 5 0 "[ . 1 . 2]" 1
748 1 40 LEU QD 1 45 ALA HA . . 3.820 3.002 2.329 3.354 . 0 0 "[ . 1 . 2]" 1
749 1 40 LEU QD 1 45 ALA MB . . 3.170 2.258 2.003 2.872 . 0 0 "[ . 1 . 2]" 1
750 1 40 LEU QD 1 96 LEU QD . . 3.570 3.128 2.494 3.482 . 0 0 "[ . 1 . 2]" 1
751 1 40 LEU HG 1 41 LYS H . . 4.010 3.463 2.233 4.115 0.105 18 0 "[ . 1 . 2]" 1
752 1 41 LYS H 1 41 LYS HB2 . . 3.480 3.263 2.737 3.775 0.295 6 0 "[ . 1 . 2]" 1
753 1 41 LYS H 1 41 LYS HB3 . . 3.700 3.047 2.445 3.569 . 0 0 "[ . 1 . 2]" 1
754 1 41 LYS H 1 41 LYS QD . . 5.400 4.718 3.063 5.392 . 0 0 "[ . 1 . 2]" 1
755 1 41 LYS H 1 41 LYS HG2 . . 5.180 4.278 2.097 5.045 . 0 0 "[ . 1 . 2]" 1
756 1 41 LYS H 1 41 LYS HG3 . . 5.140 4.612 3.295 5.190 0.050 17 0 "[ . 1 . 2]" 1
757 1 41 LYS H 1 42 GLY HA2 . . 5.050 5.062 4.762 5.139 0.089 13 0 "[ . 1 . 2]" 1
758 1 41 LYS H 1 44 LEU H . . 4.000 3.354 3.204 3.633 . 0 0 "[ . 1 . 2]" 1
759 1 41 LYS H 1 44 LEU HB2 . . 4.690 4.697 4.362 4.783 0.093 18 0 "[ . 1 . 2]" 1
760 1 41 LYS H 1 44 LEU HB3 . . 4.210 3.195 2.750 3.512 . 0 0 "[ . 1 . 2]" 1
761 1 41 LYS H 1 44 LEU QD . . 4.820 3.959 3.211 4.374 . 0 0 "[ . 1 . 2]" 1
762 1 41 LYS H 1 45 ALA H . . 5.280 4.796 4.589 5.036 . 0 0 "[ . 1 . 2]" 1
763 1 41 LYS H 1 45 ALA HA . . 4.180 3.314 2.967 3.670 . 0 0 "[ . 1 . 2]" 1
764 1 41 LYS H 1 45 ALA MB . . 5.500 4.251 3.602 4.685 . 0 0 "[ . 1 . 2]" 1
765 1 41 LYS H 1 46 TRP H . . 5.310 5.368 5.242 5.392 0.082 5 0 "[ . 1 . 2]" 1
766 1 41 LYS H 1 46 TRP HD1 . . 5.500 5.458 5.092 5.590 0.090 13 0 "[ . 1 . 2]" 1
767 1 41 LYS HA 1 41 LYS QD . . 4.310 3.933 3.060 4.394 0.084 6 0 "[ . 1 . 2]" 1
768 1 41 LYS HA 1 41 LYS QE . . 4.860 4.322 3.251 4.941 0.081 5 0 "[ . 1 . 2]" 1
769 1 41 LYS HA 1 41 LYS HG2 . . 4.170 2.999 2.121 3.776 . 0 0 "[ . 1 . 2]" 1
770 1 41 LYS HA 1 41 LYS HG3 . . 4.130 2.839 2.151 4.237 0.107 18 0 "[ . 1 . 2]" 1
771 1 41 LYS HA 1 42 GLY H . . 3.570 2.408 2.181 3.292 . 0 0 "[ . 1 . 2]" 1
772 1 41 LYS HB2 1 44 LEU QD . . 4.960 4.135 3.716 4.728 . 0 0 "[ . 1 . 2]" 1
773 1 41 LYS HB3 1 44 LEU H . . 5.500 4.672 3.378 5.836 0.336 1 0 "[ . 1 . 2]" 1
774 1 41 LYS HB3 1 44 LEU QD . . 4.850 3.547 2.658 4.933 0.083 18 0 "[ . 1 . 2]" 1
775 1 41 LYS QD 1 44 LEU QD . . 5.500 3.894 2.370 5.417 . 0 0 "[ . 1 . 2]" 1
776 1 41 LYS QE 1 41 LYS HG3 . . 3.670 2.716 2.239 3.373 . 0 0 "[ . 1 . 2]" 1
777 1 41 LYS QE 1 44 LEU QD . . 5.500 3.955 2.421 5.452 . 0 0 "[ . 1 . 2]" 1
778 1 42 GLY H 1 43 SER H . . 5.080 4.402 3.013 4.643 . 0 0 "[ . 1 . 2]" 1
779 1 42 GLY HA2 1 43 SER H . . 3.440 3.336 3.022 3.520 0.080 9 0 "[ . 1 . 2]" 1
780 1 42 GLY HA2 1 44 LEU H . . 4.910 4.205 3.957 4.419 . 0 0 "[ . 1 . 2]" 1
781 1 42 GLY HA3 1 43 SER H . . 3.040 2.249 2.132 2.728 . 0 0 "[ . 1 . 2]" 1
782 1 42 GLY HA3 1 44 LEU H . . 4.390 3.851 3.404 4.465 0.075 9 0 "[ . 1 . 2]" 1
783 1 43 SER H 1 44 LEU H . . 3.230 3.013 2.352 3.297 0.067 12 0 "[ . 1 . 2]" 1
784 1 43 SER H 1 44 LEU HB3 . . 5.340 4.968 4.027 5.404 0.064 19 0 "[ . 1 . 2]" 1
785 1 43 SER HA 1 95 ARG HA . . 4.350 4.395 3.889 4.450 0.100 3 0 "[ . 1 . 2]" 1
786 1 43 SER HA 1 96 LEU H . . 4.580 3.150 3.015 3.381 . 0 0 "[ . 1 . 2]" 1
787 1 43 SER HA 1 96 LEU QB . . 3.640 2.713 2.242 3.333 . 0 0 "[ . 1 . 2]" 1
788 1 43 SER HA 1 96 LEU QD . . 3.970 2.781 2.048 3.667 . 0 0 "[ . 1 . 2]" 1
789 1 43 SER QB 1 44 LEU H . . 5.500 3.998 3.843 4.131 . 0 0 "[ . 1 . 2]" 1
790 1 43 SER QB 1 95 ARG HA . . 3.780 3.732 3.475 3.802 0.022 20 0 "[ . 1 . 2]" 1
791 1 43 SER QB 1 96 LEU H . . 4.010 3.012 2.635 3.308 . 0 0 "[ . 1 . 2]" 1
792 1 43 SER QB 1 96 LEU QB . . 3.750 3.257 2.790 3.512 . 0 0 "[ . 1 . 2]" 1
793 1 43 SER QB 1 96 LEU QD . . 5.500 3.915 3.056 4.496 . 0 0 "[ . 1 . 2]" 1
794 1 44 LEU H 1 44 LEU HB2 . . 3.320 3.129 2.721 3.394 0.074 12 0 "[ . 1 . 2]" 1
795 1 44 LEU H 1 44 LEU HB3 . . 3.530 2.990 2.620 3.312 . 0 0 "[ . 1 . 2]" 1
796 1 44 LEU H 1 44 LEU QD . . 4.480 3.994 3.798 4.155 . 0 0 "[ . 1 . 2]" 1
797 1 44 LEU H 1 44 LEU HG . . 5.280 4.770 4.546 5.213 . 0 0 "[ . 1 . 2]" 1
798 1 44 LEU H 1 45 ALA H . . 4.510 4.150 3.808 4.525 0.015 1 0 "[ . 1 . 2]" 1
799 1 44 LEU H 1 96 LEU QD . . 5.040 3.987 2.857 4.837 . 0 0 "[ . 1 . 2]" 1
800 1 44 LEU HA 1 44 LEU QD . . 3.070 2.140 2.012 2.249 . 0 0 "[ . 1 . 2]" 1
801 1 44 LEU HA 1 44 LEU HG . . 4.220 3.004 2.526 3.676 . 0 0 "[ . 1 . 2]" 1
802 1 44 LEU HA 1 45 ALA H . . 2.930 2.195 2.107 2.337 . 0 0 "[ . 1 . 2]" 1
803 1 44 LEU HA 1 45 ALA MB . . 4.900 4.195 4.109 4.275 . 0 0 "[ . 1 . 2]" 1
804 1 44 LEU HA 1 95 ARG HA . . 3.520 2.858 2.593 3.259 . 0 0 "[ . 1 . 2]" 1
805 1 44 LEU HB2 1 44 LEU QD . . 3.250 2.290 2.089 2.658 . 0 0 "[ . 1 . 2]" 1
806 1 44 LEU HB2 1 45 ALA H . . 4.840 4.381 4.243 4.531 . 0 0 "[ . 1 . 2]" 1
807 1 44 LEU HB2 1 95 ARG HA . . 4.470 4.466 4.174 4.546 0.076 2 0 "[ . 1 . 2]" 1
808 1 44 LEU HB3 1 45 ALA H . . 4.750 4.063 3.728 4.254 . 0 0 "[ . 1 . 2]" 1
809 1 44 LEU QD 1 45 ALA H . . 3.400 2.703 1.935 3.343 . 0 0 "[ . 1 . 2]" 1
810 1 44 LEU QD 1 45 ALA HA . . 4.690 3.785 2.818 4.436 . 0 0 "[ . 1 . 2]" 1
811 1 44 LEU QD 1 46 TRP HD1 . . 3.650 2.521 2.134 3.169 . 0 0 "[ . 1 . 2]" 1
812 1 44 LEU QD 1 46 TRP HE1 . . 3.830 2.183 1.963 2.552 . 0 0 "[ . 1 . 2]" 1
813 1 44 LEU QD 1 46 TRP HZ2 . . 4.370 4.065 3.890 4.216 . 0 0 "[ . 1 . 2]" 1
814 1 44 LEU QD 1 84 GLU HB2 . . 3.880 3.341 2.930 3.921 0.041 15 0 "[ . 1 . 2]" 1
815 1 44 LEU QD 1 84 GLU HB3 . . 3.870 2.824 2.396 3.513 . 0 0 "[ . 1 . 2]" 1
816 1 44 LEU QD 1 84 GLU HG2 . . 5.120 3.650 2.169 5.056 . 0 0 "[ . 1 . 2]" 1
817 1 44 LEU QD 1 84 GLU HG3 . . 5.150 3.052 2.102 4.727 . 0 0 "[ . 1 . 2]" 1
818 1 44 LEU QD 1 85 THR H . . 5.020 4.242 3.671 4.807 . 0 0 "[ . 1 . 2]" 1
819 1 44 LEU QD 1 85 THR HB . . 4.840 3.968 3.410 4.300 . 0 0 "[ . 1 . 2]" 1
820 1 44 LEU QD 1 85 THR MG . . 5.500 4.670 3.913 5.054 . 0 0 "[ . 1 . 2]" 1
821 1 44 LEU QD 1 93 ALA MB . . 3.320 2.019 1.856 2.258 . 0 0 "[ . 1 . 2]" 1
822 1 44 LEU QD 1 94 ILE H . . 4.200 2.789 2.139 3.513 . 0 0 "[ . 1 . 2]" 1
823 1 44 LEU QD 1 95 ARG H . . 4.720 4.023 3.416 4.482 . 0 0 "[ . 1 . 2]" 1
824 1 44 LEU QD 1 95 ARG HA . . 3.250 3.090 2.718 3.330 0.080 16 0 "[ . 1 . 2]" 1
825 1 44 LEU QD 1 95 ARG HB2 . . 5.110 3.397 2.629 4.160 . 0 0 "[ . 1 . 2]" 1
826 1 44 LEU QD 1 95 ARG HB3 . . 5.220 4.541 3.175 5.213 . 0 0 "[ . 1 . 2]" 1
827 1 44 LEU QD 1 95 ARG QD . . 5.370 3.816 2.624 5.218 . 0 0 "[ . 1 . 2]" 1
828 1 44 LEU QD 1 96 LEU H . . 5.070 4.655 4.297 5.040 . 0 0 "[ . 1 . 2]" 1
829 1 44 LEU HG 1 45 ALA H . . 4.380 3.554 2.501 4.471 0.091 5 0 "[ . 1 . 2]" 1
830 1 44 LEU HG 1 46 TRP HE1 . . 5.500 4.129 3.525 5.107 . 0 0 "[ . 1 . 2]" 1
831 1 44 LEU HG 1 93 ALA MB . . 3.900 3.367 2.499 4.006 0.106 20 0 "[ . 1 . 2]" 1
832 1 45 ALA H 1 45 ALA MB . . 3.320 2.655 2.508 2.765 . 0 0 "[ . 1 . 2]" 1
833 1 45 ALA H 1 93 ALA MB . . 4.180 3.822 3.549 4.247 0.067 12 0 "[ . 1 . 2]" 1
834 1 45 ALA H 1 94 ILE H . . 3.840 2.588 2.400 2.800 . 0 0 "[ . 1 . 2]" 1
835 1 45 ALA H 1 94 ILE MD . . 4.350 4.202 3.957 4.438 0.088 13 0 "[ . 1 . 2]" 1
836 1 45 ALA H 1 94 ILE HG12 . . 4.640 3.743 3.399 4.214 . 0 0 "[ . 1 . 2]" 1
837 1 45 ALA HA 1 46 TRP H . . 2.970 2.372 2.205 2.478 . 0 0 "[ . 1 . 2]" 1
838 1 45 ALA HA 1 46 TRP HA . . 4.630 4.560 4.506 4.632 0.002 1 0 "[ . 1 . 2]" 1
839 1 45 ALA HA 1 46 TRP HB2 . . 4.720 4.397 4.251 4.571 . 0 0 "[ . 1 . 2]" 1
840 1 45 ALA HA 1 46 TRP HD1 . . 4.360 4.001 3.568 4.376 0.016 6 0 "[ . 1 . 2]" 1
841 1 45 ALA MB 1 46 TRP H . . 3.850 2.514 2.325 2.806 . 0 0 "[ . 1 . 2]" 1
842 1 45 ALA MB 1 93 ALA HA . . 5.500 4.613 4.377 4.836 . 0 0 "[ . 1 . 2]" 1
843 1 45 ALA MB 1 93 ALA MB . . 5.500 4.894 4.718 5.037 . 0 0 "[ . 1 . 2]" 1
844 1 45 ALA MB 1 94 ILE H . . 4.230 3.722 3.487 3.935 . 0 0 "[ . 1 . 2]" 1
845 1 45 ALA MB 1 94 ILE MD . . 3.470 2.423 2.246 2.770 . 0 0 "[ . 1 . 2]" 1
846 1 45 ALA MB 1 94 ILE HG12 . . 3.720 2.618 2.280 3.021 . 0 0 "[ . 1 . 2]" 1
847 1 46 TRP H 1 46 TRP HB2 . . 3.470 2.565 2.320 2.715 . 0 0 "[ . 1 . 2]" 1
848 1 46 TRP H 1 46 TRP HB3 . . 3.810 3.648 3.501 3.758 . 0 0 "[ . 1 . 2]" 1
849 1 46 TRP H 1 46 TRP HD1 . . 3.710 3.647 3.399 3.780 0.070 11 0 "[ . 1 . 2]" 1
850 1 46 TRP H 1 47 LEU H . . 4.630 4.381 4.210 4.467 . 0 0 "[ . 1 . 2]" 1
851 1 46 TRP H 1 47 LEU QD . . 4.430 3.635 3.172 4.294 . 0 0 "[ . 1 . 2]" 1
852 1 46 TRP H 1 93 ALA HA . . 5.500 4.590 4.491 4.725 . 0 0 "[ . 1 . 2]" 1
853 1 46 TRP HA 1 46 TRP HD1 . . 4.060 3.743 3.567 4.046 . 0 0 "[ . 1 . 2]" 1
854 1 46 TRP HA 1 46 TRP HE3 . . 4.380 3.537 3.150 3.861 . 0 0 "[ . 1 . 2]" 1
855 1 46 TRP HA 1 47 LEU H . . 2.960 2.224 2.149 2.270 . 0 0 "[ . 1 . 2]" 1
856 1 46 TRP HA 1 47 LEU QD . . 5.110 3.126 2.442 4.012 . 0 0 "[ . 1 . 2]" 1
857 1 46 TRP HA 1 92 PHE H . . 5.090 4.433 4.227 4.895 . 0 0 "[ . 1 . 2]" 1
858 1 46 TRP HA 1 93 ALA HA . . 3.500 2.104 1.985 2.308 . 0 0 "[ . 1 . 2]" 1
859 1 46 TRP HA 1 93 ALA MB . . 3.720 3.626 3.297 3.805 0.085 19 0 "[ . 1 . 2]" 1
860 1 46 TRP HA 1 94 ILE H . . 4.550 3.850 3.668 4.002 . 0 0 "[ . 1 . 2]" 1
861 1 46 TRP HB2 1 46 TRP HD1 . . 3.440 2.771 2.671 2.875 . 0 0 "[ . 1 . 2]" 1
862 1 46 TRP HB2 1 46 TRP HE3 . . 4.180 4.111 4.026 4.197 0.017 6 0 "[ . 1 . 2]" 1
863 1 46 TRP HB2 1 47 LEU H . . 4.610 4.207 3.894 4.527 . 0 0 "[ . 1 . 2]" 1
864 1 46 TRP HB3 1 46 TRP HD1 . . 3.820 3.844 3.784 3.873 0.053 12 0 "[ . 1 . 2]" 1
865 1 46 TRP HB3 1 46 TRP HE3 . . 3.870 2.570 2.489 2.702 . 0 0 "[ . 1 . 2]" 1
866 1 46 TRP HB3 1 47 LEU H . . 4.290 3.041 2.565 3.668 . 0 0 "[ . 1 . 2]" 1
867 1 46 TRP HD1 1 93 ALA MB . . 4.120 3.667 3.246 4.198 0.078 16 0 "[ . 1 . 2]" 1
868 1 46 TRP HE1 1 85 THR MG . . 5.500 4.926 4.005 5.461 . 0 0 "[ . 1 . 2]" 1
869 1 46 TRP HE1 1 93 ALA MB . . 4.500 2.941 2.617 3.540 . 0 0 "[ . 1 . 2]" 1
870 1 46 TRP HE3 1 47 LEU H . . 4.160 3.326 2.785 4.092 . 0 0 "[ . 1 . 2]" 1
871 1 46 TRP HE3 1 87 ARG HB3 . . 4.420 4.460 4.361 4.502 0.082 18 0 "[ . 1 . 2]" 1
872 1 46 TRP HE3 1 91 GLN HB2 . . 5.320 4.910 4.533 5.386 0.066 20 0 "[ . 1 . 2]" 1
873 1 46 TRP HE3 1 92 PHE H . . 4.250 3.073 2.727 3.470 . 0 0 "[ . 1 . 2]" 1
874 1 46 TRP HE3 1 92 PHE HA . . 4.170 3.551 3.309 3.766 . 0 0 "[ . 1 . 2]" 1
875 1 46 TRP HE3 1 93 ALA H . . 4.620 4.554 4.174 4.680 0.060 18 0 "[ . 1 . 2]" 1
876 1 46 TRP HH2 1 85 THR HB . . 5.220 3.922 3.250 4.420 . 0 0 "[ . 1 . 2]" 1
877 1 46 TRP HH2 1 85 THR MG . . 3.070 2.612 2.228 3.079 0.009 18 0 "[ . 1 . 2]" 1
878 1 46 TRP HH2 1 87 ARG H . . 4.640 4.596 4.327 4.720 0.080 18 0 "[ . 1 . 2]" 1
879 1 46 TRP HH2 1 87 ARG HB2 . . 3.410 2.332 2.156 2.471 . 0 0 "[ . 1 . 2]" 1
880 1 46 TRP HH2 1 87 ARG HB3 . . 4.530 3.495 2.946 3.848 . 0 0 "[ . 1 . 2]" 1
881 1 46 TRP HH2 1 87 ARG HD3 . . 5.120 4.412 3.223 5.181 0.061 17 0 "[ . 1 . 2]" 1
882 1 46 TRP HH2 1 87 ARG HG2 . . 5.430 5.119 4.752 5.398 . 0 0 "[ . 1 . 2]" 1
883 1 46 TRP HH2 1 87 ARG HG3 . . 5.070 4.545 3.570 5.140 0.070 5 0 "[ . 1 . 2]" 1
884 1 46 TRP HH2 1 92 PHE HA . . 4.420 3.637 3.343 3.963 . 0 0 "[ . 1 . 2]" 1
885 1 46 TRP HH2 1 93 ALA H . . 5.500 4.297 3.919 5.053 . 0 0 "[ . 1 . 2]" 1
886 1 46 TRP HH2 1 93 ALA MB . . 4.180 3.957 3.522 4.293 0.113 18 0 "[ . 1 . 2]" 1
887 1 46 TRP HZ2 1 85 THR HB . . 5.060 3.043 2.514 3.526 . 0 0 "[ . 1 . 2]" 1
888 1 46 TRP HZ2 1 85 THR MG . . 3.140 2.775 2.295 3.207 0.067 4 0 "[ . 1 . 2]" 1
889 1 46 TRP HZ2 1 87 ARG HB2 . . 4.780 4.786 4.611 4.862 0.082 13 0 "[ . 1 . 2]" 1
890 1 46 TRP HZ2 1 93 ALA MB . . 3.640 2.986 2.644 3.468 . 0 0 "[ . 1 . 2]" 1
891 1 46 TRP HZ3 1 85 THR MG . . 5.160 4.585 4.187 4.993 . 0 0 "[ . 1 . 2]" 1
892 1 46 TRP HZ3 1 87 ARG H . . 3.970 3.998 3.848 4.045 0.075 13 0 "[ . 1 . 2]" 1
893 1 46 TRP HZ3 1 87 ARG HB2 . . 4.540 2.567 2.321 3.253 . 0 0 "[ . 1 . 2]" 1
894 1 46 TRP HZ3 1 87 ARG HB3 . . 4.280 2.247 2.102 2.421 . 0 0 "[ . 1 . 2]" 1
895 1 46 TRP HZ3 1 87 ARG HD2 . . 4.190 3.046 2.474 3.922 . 0 0 "[ . 1 . 2]" 1
896 1 46 TRP HZ3 1 87 ARG HD3 . . 5.320 3.254 2.343 4.426 . 0 0 "[ . 1 . 2]" 1
897 1 46 TRP HZ3 1 92 PHE H . . 4.370 3.699 3.270 4.111 . 0 0 "[ . 1 . 2]" 1
898 1 46 TRP HZ3 1 92 PHE HA . . 3.900 2.499 2.121 2.784 . 0 0 "[ . 1 . 2]" 1
899 1 46 TRP HZ3 1 93 ALA MB . . 4.750 4.562 4.034 4.842 0.092 5 0 "[ . 1 . 2]" 1
900 1 47 LEU H 1 47 LEU HB2 . . 4.050 2.581 2.249 3.002 . 0 0 "[ . 1 . 2]" 1
901 1 47 LEU H 1 47 LEU HB3 . . 4.060 3.664 3.490 3.801 . 0 0 "[ . 1 . 2]" 1
902 1 47 LEU H 1 47 LEU QD . . 4.130 2.739 2.126 3.586 . 0 0 "[ . 1 . 2]" 1
903 1 47 LEU H 1 47 LEU HG . . 4.030 3.644 2.649 4.116 0.086 3 0 "[ . 1 . 2]" 1
904 1 47 LEU H 1 92 PHE H . . 3.900 2.908 2.624 3.569 . 0 0 "[ . 1 . 2]" 1
905 1 47 LEU H 1 92 PHE QD . . 4.430 4.441 4.193 4.523 0.093 18 0 "[ . 1 . 2]" 1
906 1 47 LEU H 1 93 ALA HA . . 4.280 3.591 3.414 3.858 . 0 0 "[ . 1 . 2]" 1
907 1 47 LEU H 1 93 ALA MB . . 5.380 4.964 4.668 5.230 . 0 0 "[ . 1 . 2]" 1
908 1 47 LEU HA 1 47 LEU QD . . 3.210 2.288 2.047 2.629 . 0 0 "[ . 1 . 2]" 1
909 1 47 LEU HA 1 48 GLU H . . 3.010 2.393 2.277 2.654 . 0 0 "[ . 1 . 2]" 1
910 1 47 LEU HA 1 48 GLU QB . . 4.560 4.163 4.026 4.462 . 0 0 "[ . 1 . 2]" 1
911 1 47 LEU HB2 1 47 LEU QD . . 2.970 2.255 2.172 2.340 . 0 0 "[ . 1 . 2]" 1
912 1 47 LEU HB2 1 48 GLU H . . 4.290 3.519 2.662 3.937 . 0 0 "[ . 1 . 2]" 1
913 1 47 LEU HB2 1 48 GLU HA . . 5.240 4.374 3.904 4.768 . 0 0 "[ . 1 . 2]" 1
914 1 47 LEU HB2 1 92 PHE H . . 4.960 3.392 2.760 4.286 . 0 0 "[ . 1 . 2]" 1
915 1 47 LEU HB3 1 48 GLU H . . 4.230 2.529 2.221 2.902 . 0 0 "[ . 1 . 2]" 1
916 1 47 LEU HB3 1 48 GLU HA . . 4.930 4.386 3.897 4.962 0.032 15 0 "[ . 1 . 2]" 1
917 1 47 LEU QD 1 48 GLU H . . 4.110 3.569 3.216 3.969 . 0 0 "[ . 1 . 2]" 1
918 1 47 LEU QD 1 92 PHE H . . 5.500 4.058 3.447 4.784 . 0 0 "[ . 1 . 2]" 1
919 1 47 LEU QD 1 92 PHE QE . . 3.010 2.422 2.056 2.793 . 0 0 "[ . 1 . 2]" 1
920 1 47 LEU QD 1 93 ALA HA . . 4.550 3.639 2.877 4.462 . 0 0 "[ . 1 . 2]" 1
921 1 47 LEU QD 1 93 ALA MB . . 5.500 4.516 3.991 5.149 . 0 0 "[ . 1 . 2]" 1
922 1 47 LEU QD 1 94 ILE H . . 4.470 3.922 3.439 4.412 . 0 0 "[ . 1 . 2]" 1
923 1 48 GLU H 1 48 GLU QB . . 3.590 2.962 2.641 3.157 . 0 0 "[ . 1 . 2]" 1
924 1 48 GLU H 1 48 GLU HG2 . . 4.790 3.047 2.156 4.624 . 0 0 "[ . 1 . 2]" 1
925 1 48 GLU H 1 48 GLU HG3 . . 5.080 3.500 2.671 4.896 . 0 0 "[ . 1 . 2]" 1
926 1 48 GLU H 1 49 LEU H . . 5.500 2.868 2.327 4.134 . 0 0 "[ . 1 . 2]" 1
927 1 48 GLU HA 1 48 GLU HG2 . . 4.130 3.529 2.311 4.030 . 0 0 "[ . 1 . 2]" 1
928 1 48 GLU HA 1 48 GLU HG3 . . 3.620 3.417 2.448 3.811 0.191 6 0 "[ . 1 . 2]" 1
929 1 48 GLU HA 1 49 LEU H . . 3.000 2.656 1.920 2.949 . 0 0 "[ . 1 . 2]" 1
930 1 48 GLU HA 1 49 LEU HB3 . . 5.500 5.524 5.132 5.583 0.083 1 0 "[ . 1 . 2]" 1
931 1 48 GLU HA 1 49 LEU HG . . 4.930 4.965 4.501 5.026 0.096 20 0 "[ . 1 . 2]" 1
932 1 48 GLU HA 1 91 GLN H . . 5.380 4.883 4.279 5.268 . 0 0 "[ . 1 . 2]" 1
933 1 48 GLU HA 1 91 GLN HA . . 3.410 2.655 2.169 2.958 . 0 0 "[ . 1 . 2]" 1
934 1 48 GLU HA 1 91 GLN HG2 . . 4.870 2.678 2.141 3.930 . 0 0 "[ . 1 . 2]" 1
935 1 48 GLU HA 1 91 GLN HG3 . . 4.450 3.923 3.182 4.519 0.069 20 0 "[ . 1 . 2]" 1
936 1 48 GLU HA 1 92 PHE H . . 4.350 4.199 3.738 4.432 0.082 14 0 "[ . 1 . 2]" 1
937 1 48 GLU QB 1 49 LEU H . . 4.400 3.964 3.210 4.093 . 0 0 "[ . 1 . 2]" 1
938 1 48 GLU QB 1 91 GLN HA . . 4.540 4.023 2.863 4.618 0.078 4 0 "[ . 1 . 2]" 1
939 1 48 GLU QB 1 91 GLN HG2 . . 4.170 2.973 2.228 3.505 . 0 0 "[ . 1 . 2]" 1
940 1 48 GLU HG3 1 49 LEU H . . 4.840 4.208 2.833 4.948 0.108 4 0 "[ . 1 . 2]" 1
941 1 49 LEU H 1 49 LEU HB2 . . 3.530 2.982 2.184 3.256 . 0 0 "[ . 1 . 2]" 1
942 1 49 LEU H 1 49 LEU QD . . 4.310 3.405 1.765 3.676 . 0 0 "[ . 1 . 2]" 1
943 1 49 LEU H 1 49 LEU HG . . 3.540 3.152 2.723 3.404 . 0 0 "[ . 1 . 2]" 1
944 1 49 LEU H 1 50 PHE H . . 5.240 4.641 4.363 4.762 . 0 0 "[ . 1 . 2]" 1
945 1 49 LEU H 1 90 ARG HB2 . . 4.330 4.209 2.920 4.416 0.086 19 0 "[ . 1 . 2]" 1
946 1 49 LEU H 1 91 GLN HA . . 4.310 4.164 3.585 4.379 0.069 6 0 "[ . 1 . 2]" 1
947 1 49 LEU H 1 92 PHE H . . 5.200 5.193 4.916 5.283 0.083 20 0 "[ . 1 . 2]" 1
948 1 49 LEU H 1 92 PHE QE . . 4.710 4.600 4.020 4.803 0.093 20 0 "[ . 1 . 2]" 1
949 1 49 LEU HA 1 50 PHE H . . 2.960 2.579 2.227 2.788 . 0 0 "[ . 1 . 2]" 1
950 1 49 LEU HA 1 50 PHE QB . . 4.630 4.019 3.719 4.338 . 0 0 "[ . 1 . 2]" 1
951 1 49 LEU HB2 1 49 LEU QD . . 3.270 2.300 2.209 2.458 . 0 0 "[ . 1 . 2]" 1
952 1 49 LEU HB2 1 50 PHE H . . 4.320 3.720 3.490 4.294 . 0 0 "[ . 1 . 2]" 1
953 1 49 LEU HB2 1 90 ARG HB2 . . 4.810 2.263 2.073 2.404 . 0 0 "[ . 1 . 2]" 1
954 1 49 LEU HB2 1 90 ARG HD3 . . 5.040 4.139 2.802 5.102 0.062 12 0 "[ . 1 . 2]" 1
955 1 49 LEU HB2 1 90 ARG HG3 . . 4.920 4.759 4.402 4.985 0.065 3 0 "[ . 1 . 2]" 1
956 1 49 LEU HB2 1 92 PHE QE . . 5.300 5.175 4.595 5.378 0.078 5 0 "[ . 1 . 2]" 1
957 1 49 LEU HB3 1 50 PHE H . . 3.800 2.300 2.010 3.139 . 0 0 "[ . 1 . 2]" 1
958 1 49 LEU QD 1 50 PHE H . . 4.340 2.354 1.751 3.097 . 0 0 "[ . 1 . 2]" 1
959 1 49 LEU QD 1 50 PHE QD . . 4.990 4.864 4.632 4.954 . 0 0 "[ . 1 . 2]" 1
960 1 49 LEU QD 1 54 GLN H . . 5.440 4.067 3.636 4.486 . 0 0 "[ . 1 . 2]" 1
961 1 49 LEU QD 1 54 GLN HA . . 3.090 2.196 1.969 2.583 . 0 0 "[ . 1 . 2]" 1
962 1 49 LEU QD 1 54 GLN HB2 . . 4.750 2.591 2.212 3.841 . 0 0 "[ . 1 . 2]" 1
963 1 49 LEU QD 1 54 GLN HB3 . . 5.190 2.317 2.053 3.046 . 0 0 "[ . 1 . 2]" 1
964 1 49 LEU QD 1 54 GLN QG . . 4.700 3.815 3.627 4.030 . 0 0 "[ . 1 . 2]" 1
965 1 49 LEU QD 1 90 ARG HA . . 3.940 2.271 1.994 2.787 . 0 0 "[ . 1 . 2]" 1
966 1 49 LEU QD 1 90 ARG HB2 . . 5.280 2.611 2.302 3.006 . 0 0 "[ . 1 . 2]" 1
967 1 49 LEU QD 1 90 ARG HG2 . . 4.750 4.218 3.873 4.700 . 0 0 "[ . 1 . 2]" 1
968 1 49 LEU QD 1 92 PHE QE . . 4.510 3.403 2.138 3.974 . 0 0 "[ . 1 . 2]" 1
969 1 49 LEU HG 1 50 PHE H . . 4.940 4.288 3.761 4.843 . 0 0 "[ . 1 . 2]" 1
970 1 49 LEU HG 1 92 PHE QE . . 3.590 3.262 2.836 3.675 0.085 20 0 "[ . 1 . 2]" 1
971 1 49 LEU HG 1 92 PHE HZ . . 4.330 4.025 3.004 4.393 0.063 20 0 "[ . 1 . 2]" 1
972 1 50 PHE H 1 50 PHE QB . . 3.190 2.406 2.064 2.693 . 0 0 "[ . 1 . 2]" 1
973 1 50 PHE H 1 50 PHE QD . . 4.140 3.936 3.007 4.219 0.079 7 0 "[ . 1 . 2]" 1
974 1 50 PHE HA 1 50 PHE QD . . 3.880 2.571 2.092 3.007 . 0 0 "[ . 1 . 2]" 1
975 1 50 PHE QB 1 51 GLY H . . 3.750 3.017 2.181 3.837 0.087 7 0 "[ . 1 . 2]" 1
976 1 50 PHE QB 1 51 GLY HA2 . . 4.960 4.599 3.642 5.120 0.160 7 0 "[ . 1 . 2]" 1
977 1 50 PHE QD 1 51 GLY H . . 4.860 3.996 2.051 4.920 0.060 1 0 "[ . 1 . 2]" 1
978 1 50 PHE QD 1 51 GLY HA3 . . 5.250 4.736 3.476 5.607 0.357 16 0 "[ . 1 . 2]" 1
979 1 51 GLY HA2 1 52 ALA MB . . 4.780 4.293 3.978 4.905 0.125 17 0 "[ . 1 . 2]" 1
980 1 51 GLY HA2 1 53 GLU H . . 4.630 4.394 3.429 4.807 0.177 7 0 "[ . 1 . 2]" 1
981 1 51 GLY HA3 1 52 ALA MB . . 4.200 4.098 3.876 4.503 0.303 6 0 "[ . 1 . 2]" 1
982 1 51 GLY HA3 1 53 GLU H . . 4.730 3.864 2.872 4.828 0.098 17 0 "[ . 1 . 2]" 1
983 1 52 ALA H 1 52 ALA MB . . 3.630 2.553 2.124 3.051 . 0 0 "[ . 1 . 2]" 1
984 1 52 ALA H 1 53 GLU H . . 3.720 2.835 1.839 3.788 0.068 17 0 "[ . 1 . 2]" 1
985 1 52 ALA MB 1 53 GLU H . . 3.710 3.014 2.192 3.646 . 0 0 "[ . 1 . 2]" 1
986 1 52 ALA MB 1 53 GLU HA . . 4.200 4.176 3.992 4.343 0.143 17 0 "[ . 1 . 2]" 1
987 1 52 ALA MB 1 53 GLU QB . . 5.070 4.251 2.973 4.940 . 0 0 "[ . 1 . 2]" 1
988 1 52 ALA MB 1 53 GLU HG2 . . 5.470 4.666 3.104 5.533 0.063 7 0 "[ . 1 . 2]" 1
989 1 52 ALA MB 1 53 GLU HG3 . . 4.780 4.271 2.603 5.578 0.798 14 3 "[ .- 1 * +. 2]" 1
990 1 53 GLU H 1 53 GLU QB . . 3.620 2.521 2.175 3.084 . 0 0 "[ . 1 . 2]" 1
991 1 53 GLU H 1 53 GLU HB3 . . 3.130 3.415 2.528 4.073 0.943 17 5 "[ * - *1 * + 2]" 1
992 1 53 GLU H 1 53 GLU HG2 . . 4.170 3.411 1.833 4.243 0.073 17 0 "[ . 1 . 2]" 1
993 1 53 GLU H 1 53 GLU HG3 . . 3.820 2.985 2.117 3.630 . 0 0 "[ . 1 . 2]" 1
994 1 53 GLU HA 1 53 GLU HG2 . . 3.790 2.881 2.261 3.810 0.020 20 0 "[ . 1 . 2]" 1
995 1 53 GLU HA 1 53 GLU HG3 . . 3.890 3.090 2.418 3.866 . 0 0 "[ . 1 . 2]" 1
996 1 53 GLU HA 1 54 GLN H . . 2.710 2.345 2.147 2.780 0.070 20 0 "[ . 1 . 2]" 1
997 1 53 GLU HA 1 54 GLN QG . . 4.720 3.858 3.258 4.556 . 0 0 "[ . 1 . 2]" 1
998 1 53 GLU QB 1 53 GLU HG2 . . 2.750 2.351 2.136 2.553 . 0 0 "[ . 1 . 2]" 1
999 1 53 GLU QB 1 54 GLN H . . 4.070 3.107 2.141 4.026 . 0 0 "[ . 1 . 2]" 1
1000 1 53 GLU HG2 1 54 GLN H . . 4.760 4.302 2.647 4.875 0.115 14 0 "[ . 1 . 2]" 1
1001 1 53 GLU HG3 1 54 GLN H . . 4.780 4.525 3.661 4.863 0.083 16 0 "[ . 1 . 2]" 1
1002 1 54 GLN H 1 54 GLN HB2 . . 4.100 3.940 3.676 4.116 0.016 14 0 "[ . 1 . 2]" 1
1003 1 54 GLN H 1 54 GLN HB3 . . 3.490 3.372 2.802 3.572 0.082 5 0 "[ . 1 . 2]" 1
1004 1 54 GLN H 1 54 GLN QG . . 3.510 2.528 2.077 3.065 . 0 0 "[ . 1 . 2]" 1
1005 1 54 GLN H 1 55 PRO HD2 . . 5.320 4.896 4.763 5.002 . 0 0 "[ . 1 . 2]" 1
1006 1 54 GLN H 1 55 PRO HD3 . . 5.310 4.853 4.539 5.141 . 0 0 "[ . 1 . 2]" 1
1007 1 54 GLN HA 1 54 GLN QG . . 3.690 3.393 3.240 3.453 . 0 0 "[ . 1 . 2]" 1
1008 1 54 GLN HA 1 55 PRO HA . . 4.390 4.394 4.265 4.458 0.068 5 0 "[ . 1 . 2]" 1
1009 1 54 GLN HA 1 55 PRO HB3 . . 5.060 5.017 4.819 5.141 0.081 8 0 "[ . 1 . 2]" 1
1010 1 54 GLN HA 1 55 PRO HD2 . . 3.240 2.563 2.473 2.726 . 0 0 "[ . 1 . 2]" 1
1011 1 54 GLN HA 1 55 PRO HD3 . . 3.030 2.373 2.176 2.523 . 0 0 "[ . 1 . 2]" 1
1012 1 54 GLN HB2 1 55 PRO HD2 . . 3.810 2.114 2.007 2.230 . 0 0 "[ . 1 . 2]" 1
1013 1 54 GLN HB2 1 55 PRO HD3 . . 4.400 3.468 3.350 3.593 . 0 0 "[ . 1 . 2]" 1
1014 1 54 GLN HB3 1 55 PRO HD2 . . 3.810 3.466 2.604 3.630 . 0 0 "[ . 1 . 2]" 1
1015 1 54 GLN HB3 1 55 PRO HD3 . . 4.380 4.332 3.496 4.450 0.070 8 0 "[ . 1 . 2]" 1
1016 1 54 GLN HE21 1 89 ASP HB3 . . 5.500 4.416 2.546 6.140 0.640 20 1 "[ . 1 . +]" 1
1017 1 54 GLN HE22 1 89 ASP HB2 . . 5.170 4.473 2.799 5.509 0.339 14 0 "[ . 1 . 2]" 1
1018 1 54 GLN HE22 1 89 ASP HB3 . . 5.050 4.792 3.383 5.593 0.543 2 1 "[ + . 1 . 2]" 1
1019 1 54 GLN HE22 1 90 ARG HG2 . . 5.470 4.949 2.355 5.943 0.473 2 0 "[ . 1 . 2]" 1
1020 1 54 GLN QG 1 55 PRO HD2 . . 4.360 3.788 3.327 4.068 . 0 0 "[ . 1 . 2]" 1
1021 1 54 GLN QG 1 55 PRO HD3 . . 4.710 4.710 4.423 4.805 0.095 20 0 "[ . 1 . 2]" 1
1022 1 55 PRO HA 1 56 PRO HD2 . . 3.010 2.627 2.392 3.065 0.055 17 0 "[ . 1 . 2]" 1
1023 1 55 PRO HA 1 56 PRO HD3 . . 3.370 2.544 2.187 2.791 . 0 0 "[ . 1 . 2]" 1
1024 1 55 PRO HA 1 56 PRO QG . . 4.190 4.179 4.028 4.262 0.072 16 0 "[ . 1 . 2]" 1
1025 1 55 PRO HB2 1 56 PRO HD2 . . 4.120 2.277 2.098 2.406 . 0 0 "[ . 1 . 2]" 1
1026 1 55 PRO HB2 1 56 PRO HD3 . . 4.120 3.656 3.239 3.865 . 0 0 "[ . 1 . 2]" 1
1027 1 55 PRO HB2 1 56 PRO QG . . 5.050 3.664 3.264 4.259 . 0 0 "[ . 1 . 2]" 1
1028 1 55 PRO HB2 1 59 THR HB . . 4.630 3.409 3.150 3.786 . 0 0 "[ . 1 . 2]" 1
1029 1 55 PRO HB2 1 59 THR MG . . 4.950 3.786 3.132 4.278 . 0 0 "[ . 1 . 2]" 1
1030 1 55 PRO HB2 1 60 LEU QD . . 5.410 3.509 2.439 4.019 . 0 0 "[ . 1 . 2]" 1
1031 1 55 PRO HB3 1 56 PRO HD2 . . 4.020 2.816 2.515 3.289 . 0 0 "[ . 1 . 2]" 1
1032 1 55 PRO HB3 1 56 PRO HD3 . . 4.150 3.876 3.425 4.079 . 0 0 "[ . 1 . 2]" 1
1033 1 55 PRO HB3 1 59 THR HB . . 4.910 4.902 4.680 4.996 0.086 8 0 "[ . 1 . 2]" 1
1034 1 55 PRO HB3 1 60 LEU QD . . 5.300 3.586 3.078 3.942 . 0 0 "[ . 1 . 2]" 1
1035 1 55 PRO HD2 1 60 LEU QD . . 5.130 3.581 3.023 3.937 . 0 0 "[ . 1 . 2]" 1
1036 1 55 PRO HD3 1 60 LEU QD . . 5.210 3.697 3.350 4.047 . 0 0 "[ . 1 . 2]" 1
1037 1 55 PRO HG2 1 60 LEU QD . . 4.300 2.501 2.202 3.263 . 0 0 "[ . 1 . 2]" 1
1038 1 55 PRO HG3 1 60 LEU QD . . 4.010 2.149 2.033 2.556 . 0 0 "[ . 1 . 2]" 1
1039 1 56 PRO HA 1 57 PRO QB . . 4.900 4.639 4.485 4.687 . 0 0 "[ . 1 . 2]" 1
1040 1 56 PRO HA 1 57 PRO HD2 . . 3.120 2.466 2.294 2.699 . 0 0 "[ . 1 . 2]" 1
1041 1 56 PRO HA 1 57 PRO HD3 . . 2.960 2.462 2.279 2.581 . 0 0 "[ . 1 . 2]" 1
1042 1 56 PRO HB2 1 57 PRO HD2 . . 4.130 2.646 2.447 2.950 . 0 0 "[ . 1 . 2]" 1
1043 1 56 PRO HB2 1 59 THR HB . . 5.060 3.700 3.233 4.295 . 0 0 "[ . 1 . 2]" 1
1044 1 56 PRO HB2 1 59 THR MG . . 3.660 3.717 3.599 3.763 0.103 4 0 "[ . 1 . 2]" 1
1045 1 56 PRO HB3 1 57 PRO HD2 . . 3.860 2.943 2.604 3.385 . 0 0 "[ . 1 . 2]" 1
1046 1 56 PRO HB3 1 59 THR MG . . 4.610 4.634 4.440 4.707 0.097 1 0 "[ . 1 . 2]" 1
1047 1 56 PRO HD2 1 59 THR MG . . 5.160 3.122 2.177 3.607 . 0 0 "[ . 1 . 2]" 1
1048 1 56 PRO HD3 1 59 THR MG . . 4.190 4.232 3.488 4.565 0.375 12 0 "[ . 1 . 2]" 1
1049 1 56 PRO QG 1 59 THR H . . 5.370 4.800 4.092 5.447 0.077 13 0 "[ . 1 . 2]" 1
1050 1 56 PRO QG 1 59 THR HB . . 4.840 2.716 2.153 3.587 . 0 0 "[ . 1 . 2]" 1
1051 1 56 PRO QG 1 59 THR MG . . 3.970 2.124 2.013 2.231 . 0 0 "[ . 1 . 2]" 1
1052 1 57 PRO HA 1 58 ASN H . . 3.080 2.406 2.228 2.544 . 0 0 "[ . 1 . 2]" 1
1053 1 57 PRO HA 1 59 THR H . . 4.380 3.463 3.184 4.000 . 0 0 "[ . 1 . 2]" 1
1054 1 57 PRO QB 1 58 ASN H . . 4.280 2.630 2.392 2.984 . 0 0 "[ . 1 . 2]" 1
1055 1 57 PRO QB 1 58 ASN HB2 . . 4.810 4.258 2.961 5.178 0.368 8 0 "[ . 1 . 2]" 1
1056 1 57 PRO QB 1 58 ASN HD21 . . 4.810 4.130 2.628 5.190 0.380 19 0 "[ . 1 . 2]" 1
1057 1 57 PRO QB 1 58 ASN HD22 . . 5.300 4.656 3.791 5.184 . 0 0 "[ . 1 . 2]" 1
1058 1 57 PRO QG 1 58 ASN H . . 5.450 4.154 3.913 4.407 . 0 0 "[ . 1 . 2]" 1
1059 1 58 ASN H 1 58 ASN HA . . 2.780 2.248 2.174 2.302 . 0 0 "[ . 1 . 2]" 1
1060 1 58 ASN H 1 59 THR H . . 3.660 2.896 2.609 3.133 . 0 0 "[ . 1 . 2]" 1
1061 1 58 ASN H 1 60 LEU H . . 4.790 4.454 4.021 4.826 0.036 9 0 "[ . 1 . 2]" 1
1062 1 58 ASN HA 1 58 ASN HB2 . . 2.980 2.711 2.210 3.031 0.051 16 0 "[ . 1 . 2]" 1
1063 1 58 ASN HA 1 58 ASN HD22 . . 5.500 4.782 3.694 5.375 . 0 0 "[ . 1 . 2]" 1
1064 1 58 ASN HA 1 59 THR H . . 3.480 3.007 2.634 3.267 . 0 0 "[ . 1 . 2]" 1
1065 1 58 ASN HA 1 60 LEU H . . 4.710 4.475 3.748 4.779 0.069 1 0 "[ . 1 . 2]" 1
1066 1 58 ASN QB 1 59 THR H . . 4.640 3.899 3.569 4.084 . 0 0 "[ . 1 . 2]" 1
1067 1 58 ASN HB2 1 59 THR H . . 5.240 4.308 3.839 4.551 . 0 0 "[ . 1 . 2]" 1
1068 1 58 ASN HB3 1 59 THR H . . 4.820 4.465 3.946 4.649 . 0 0 "[ . 1 . 2]" 1
1069 1 59 THR H 1 59 THR HB . . 3.530 2.565 2.286 2.980 . 0 0 "[ . 1 . 2]" 1
1070 1 59 THR H 1 59 THR MG . . 3.830 3.800 3.665 3.911 0.081 9 0 "[ . 1 . 2]" 1
1071 1 59 THR H 1 60 LEU H . . 3.020 2.197 1.881 2.526 . 0 0 "[ . 1 . 2]" 1
1072 1 59 THR H 1 60 LEU HB2 . . 5.060 4.116 3.753 4.592 . 0 0 "[ . 1 . 2]" 1
1073 1 59 THR H 1 60 LEU HG . . 5.500 4.969 4.435 5.554 0.054 20 0 "[ . 1 . 2]" 1
1074 1 59 THR HA 1 59 THR MG . . 3.090 2.364 2.166 2.467 . 0 0 "[ . 1 . 2]" 1
1075 1 59 THR HB 1 60 LEU H . . 3.660 2.806 2.269 3.669 0.009 5 0 "[ . 1 . 2]" 1
1076 1 59 THR HB 1 60 LEU HG . . 4.790 4.300 3.698 4.881 0.091 20 0 "[ . 1 . 2]" 1
1077 1 59 THR MG 1 60 LEU H . . 4.230 3.652 3.159 4.225 . 0 0 "[ . 1 . 2]" 1
1078 1 59 THR MG 1 60 LEU QD . . 4.760 4.061 2.556 4.577 . 0 0 "[ . 1 . 2]" 1
1079 1 60 LEU H 1 60 LEU HB2 . . 3.390 2.268 2.086 2.476 . 0 0 "[ . 1 . 2]" 1
1080 1 60 LEU H 1 60 LEU HB3 . . 3.590 3.517 3.388 3.623 0.033 8 0 "[ . 1 . 2]" 1
1081 1 60 LEU H 1 60 LEU QD . . 4.270 3.406 2.251 3.751 . 0 0 "[ . 1 . 2]" 1
1082 1 60 LEU H 1 60 LEU HG . . 3.730 3.063 2.589 3.722 . 0 0 "[ . 1 . 2]" 1
1083 1 60 LEU H 1 61 SER H . . 4.590 4.605 4.425 4.651 0.061 19 0 "[ . 1 . 2]" 1
1084 1 60 LEU H 1 86 LEU QD . . 5.100 4.063 3.822 4.244 . 0 0 "[ . 1 . 2]" 1
1085 1 60 LEU HA 1 60 LEU QD . . 3.110 2.059 2.000 2.178 . 0 0 "[ . 1 . 2]" 1
1086 1 60 LEU HA 1 60 LEU HG . . 4.180 2.888 2.518 3.729 . 0 0 "[ . 1 . 2]" 1
1087 1 60 LEU HA 1 61 SER H . . 2.800 2.244 2.158 2.343 . 0 0 "[ . 1 . 2]" 1
1088 1 60 LEU HA 1 61 SER HA . . 4.720 4.478 4.407 4.540 . 0 0 "[ . 1 . 2]" 1
1089 1 60 LEU HA 1 64 ALA MB . . 4.050 3.423 3.128 3.865 . 0 0 "[ . 1 . 2]" 1
1090 1 60 LEU HA 1 86 LEU QD . . 4.380 3.669 3.388 3.846 . 0 0 "[ . 1 . 2]" 1
1091 1 60 LEU HB2 1 61 SER H . . 4.560 4.269 4.037 4.527 . 0 0 "[ . 1 . 2]" 1
1092 1 60 LEU HB2 1 86 LEU QD . . 3.950 2.577 2.243 2.881 . 0 0 "[ . 1 . 2]" 1
1093 1 60 LEU HB3 1 60 LEU QD . . 3.230 2.143 2.092 2.279 . 0 0 "[ . 1 . 2]" 1
1094 1 60 LEU HB3 1 61 SER H . . 4.280 3.132 2.807 3.568 . 0 0 "[ . 1 . 2]" 1
1095 1 60 LEU HB3 1 83 VAL MG1 . . 5.070 4.281 3.942 4.673 . 0 0 "[ . 1 . 2]" 1
1096 1 60 LEU HB3 1 86 LEU QD . . 3.510 1.956 1.862 2.084 . 0 0 "[ . 1 . 2]" 1
1097 1 60 LEU QD 1 61 SER H . . 4.830 3.031 2.551 3.499 . 0 0 "[ . 1 . 2]" 1
1098 1 60 LEU QD 1 64 ALA MB . . 4.900 2.989 2.654 3.553 . 0 0 "[ . 1 . 2]" 1
1099 1 60 LEU QD 1 83 VAL MG1 . . 4.860 3.606 3.204 4.173 . 0 0 "[ . 1 . 2]" 1
1100 1 60 LEU QD 1 83 VAL MG2 . . 3.370 2.765 2.282 3.292 . 0 0 "[ . 1 . 2]" 1
1101 1 60 LEU QD 1 86 LEU QD . . 3.700 1.981 1.849 2.140 . 0 0 "[ . 1 . 2]" 1
1102 1 60 LEU QD 1 89 ASP HA . . 3.930 2.434 2.003 3.309 . 0 0 "[ . 1 . 2]" 1
1103 1 60 LEU QD 1 92 PHE QD . . 4.510 2.889 2.371 3.696 . 0 0 "[ . 1 . 2]" 1
1104 1 60 LEU QD 1 92 PHE QE . . 3.690 2.586 2.201 3.237 . 0 0 "[ . 1 . 2]" 1
1105 1 60 LEU QD 1 92 PHE HZ . . 4.380 3.399 2.995 3.731 . 0 0 "[ . 1 . 2]" 1
1106 1 60 LEU HG 1 61 SER H . . 5.180 4.806 4.336 5.222 0.042 13 0 "[ . 1 . 2]" 1
1107 1 60 LEU HG 1 86 LEU QD . . 4.560 3.794 2.268 3.967 . 0 0 "[ . 1 . 2]" 1
1108 1 61 SER H 1 61 SER HB2 . . 3.700 2.998 2.718 3.855 0.155 19 0 "[ . 1 . 2]" 1
1109 1 61 SER H 1 61 SER QB . . 3.730 2.835 2.663 3.233 . 0 0 "[ . 1 . 2]" 1
1110 1 61 SER H 1 61 SER HB3 . . 3.780 3.769 3.233 3.866 0.086 14 0 "[ . 1 . 2]" 1
1111 1 61 SER H 1 62 GLU H . . 4.770 4.389 4.270 4.499 . 0 0 "[ . 1 . 2]" 1
1112 1 61 SER H 1 64 ALA H . . 4.830 3.792 3.480 4.223 . 0 0 "[ . 1 . 2]" 1
1113 1 61 SER H 1 64 ALA MB . . 3.370 2.336 2.025 2.514 . 0 0 "[ . 1 . 2]" 1
1114 1 61 SER H 1 83 VAL HB . . 5.480 4.872 4.702 5.273 . 0 0 "[ . 1 . 2]" 1
1115 1 61 SER H 1 83 VAL MG2 . . 4.590 3.452 3.074 3.793 . 0 0 "[ . 1 . 2]" 1
1116 1 61 SER H 1 86 LEU QD . . 4.950 3.230 2.524 3.568 . 0 0 "[ . 1 . 2]" 1
1117 1 61 SER HA 1 61 SER HB3 . . 2.950 2.367 2.229 2.455 . 0 0 "[ . 1 . 2]" 1
1118 1 61 SER HA 1 62 GLU H . . 2.810 2.376 2.217 2.512 . 0 0 "[ . 1 . 2]" 1
1119 1 61 SER HA 1 62 GLU HA . . 4.380 4.230 4.032 4.346 . 0 0 "[ . 1 . 2]" 1
1120 1 61 SER HA 1 64 ALA MB . . 4.560 4.540 4.350 4.661 0.101 18 0 "[ . 1 . 2]" 1
1121 1 61 SER HA 1 86 LEU QD . . 3.310 3.035 2.638 3.238 . 0 0 "[ . 1 . 2]" 1
1122 1 61 SER QB 1 62 GLU H . . 3.330 2.452 2.227 2.703 . 0 0 "[ . 1 . 2]" 1
1123 1 61 SER QB 1 64 ALA H . . 4.980 3.485 2.894 4.268 . 0 0 "[ . 1 . 2]" 1
1124 1 61 SER HB2 1 62 GLU H . . 3.370 3.269 2.299 3.453 0.083 13 0 "[ . 1 . 2]" 1
1125 1 61 SER HB2 1 64 ALA MB . . 4.420 3.229 2.547 4.409 . 0 0 "[ . 1 . 2]" 1
1126 1 61 SER HB2 1 83 VAL MG2 . . 5.470 4.996 4.629 5.345 . 0 0 "[ . 1 . 2]" 1
1127 1 61 SER HB2 1 86 LEU QD . . 5.500 4.835 4.546 5.038 . 0 0 "[ . 1 . 2]" 1
1128 1 61 SER HB3 1 62 GLU H . . 3.240 2.682 2.256 3.458 0.218 16 0 "[ . 1 . 2]" 1
1129 1 61 SER HB3 1 62 GLU QB . . 4.940 4.733 4.171 5.671 0.731 9 3 "[ . +1 .* -2]" 1
1130 1 61 SER HB3 1 62 GLU HG2 . . 5.460 5.544 4.937 6.410 0.950 16 3 "[ . -1 .+ *2]" 1
1131 1 61 SER HB3 1 62 GLU HG3 . . 4.990 4.609 3.865 5.722 0.732 16 1 "[ . 1 .+ 2]" 1
1132 1 61 SER HB3 1 64 ALA H . . 4.850 4.771 4.232 5.408 0.558 9 1 "[ . +1 . 2]" 1
1133 1 61 SER HB3 1 64 ALA MB . . 4.990 4.477 4.105 4.780 . 0 0 "[ . 1 . 2]" 1
1134 1 62 GLU H 1 62 GLU QB . . 3.090 2.583 2.446 2.697 . 0 0 "[ . 1 . 2]" 1
1135 1 62 GLU H 1 62 GLU HG2 . . 3.570 2.976 2.713 3.275 . 0 0 "[ . 1 . 2]" 1
1136 1 62 GLU H 1 62 GLU HG3 . . 3.740 2.237 1.984 2.527 . 0 0 "[ . 1 . 2]" 1
1137 1 62 GLU H 1 63 GLY H . . 5.080 2.851 2.650 3.044 . 0 0 "[ . 1 . 2]" 1
1138 1 62 GLU H 1 64 ALA H . . 5.500 4.508 4.398 4.704 . 0 0 "[ . 1 . 2]" 1
1139 1 62 GLU H 1 83 VAL MG1 . . 4.550 4.158 3.841 4.332 . 0 0 "[ . 1 . 2]" 1
1140 1 62 GLU H 1 86 LEU QD . . 4.460 3.984 3.815 4.116 . 0 0 "[ . 1 . 2]" 1
1141 1 62 GLU HA 1 62 GLU HG2 . . 3.830 2.533 2.285 2.707 . 0 0 "[ . 1 . 2]" 1
1142 1 62 GLU HA 1 62 GLU HG3 . . 3.830 3.399 3.003 3.599 . 0 0 "[ . 1 . 2]" 1
1143 1 62 GLU HA 1 63 GLY H . . 3.200 3.246 3.172 3.272 0.072 17 0 "[ . 1 . 2]" 1
1144 1 62 GLU HA 1 64 ALA H . . 4.030 3.930 3.782 4.072 0.042 8 0 "[ . 1 . 2]" 1
1145 1 62 GLU HA 1 64 ALA MB . . 4.740 4.823 4.775 4.849 0.109 14 0 "[ . 1 . 2]" 1
1146 1 62 GLU HA 1 83 VAL H . . 5.090 4.988 4.591 5.147 0.057 4 0 "[ . 1 . 2]" 1
1147 1 62 GLU HA 1 83 VAL HB . . 3.430 2.827 2.359 2.997 . 0 0 "[ . 1 . 2]" 1
1148 1 62 GLU HA 1 83 VAL MG1 . . 3.210 2.025 1.964 2.124 . 0 0 "[ . 1 . 2]" 1
1149 1 62 GLU HA 1 83 VAL MG2 . . 4.410 3.795 3.538 4.034 . 0 0 "[ . 1 . 2]" 1
1150 1 62 GLU HA 1 85 THR H . . 5.240 4.352 4.020 4.707 . 0 0 "[ . 1 . 2]" 1
1151 1 62 GLU QB 1 63 GLY H . . 3.940 3.418 3.205 3.560 . 0 0 "[ . 1 . 2]" 1
1152 1 62 GLU QB 1 63 GLY HA2 . . 5.220 4.373 4.159 4.505 . 0 0 "[ . 1 . 2]" 1
1153 1 62 GLU QB 1 64 ALA H . . 5.320 4.939 4.793 5.028 . 0 0 "[ . 1 . 2]" 1
1154 1 62 GLU QB 1 83 VAL MG1 . . 4.620 3.385 3.247 3.591 . 0 0 "[ . 1 . 2]" 1
1155 1 62 GLU HG2 1 83 VAL MG1 . . 4.510 3.548 2.706 3.856 . 0 0 "[ . 1 . 2]" 1
1156 1 62 GLU HG2 1 86 LEU H . . 4.680 2.131 1.671 2.756 . 0 0 "[ . 1 . 2]" 1
1157 1 62 GLU HG2 1 86 LEU HB2 . . 5.200 2.371 2.178 2.698 . 0 0 "[ . 1 . 2]" 1
1158 1 62 GLU HG2 1 86 LEU HB3 . . 4.490 2.411 2.045 2.834 . 0 0 "[ . 1 . 2]" 1
1159 1 62 GLU HG2 1 86 LEU QD . . 3.960 3.569 3.284 3.743 . 0 0 "[ . 1 . 2]" 1
1160 1 62 GLU HG3 1 63 GLY H . . 4.780 4.732 4.532 4.858 0.078 13 0 "[ . 1 . 2]" 1
1161 1 62 GLU HG3 1 86 LEU H . . 4.340 3.718 3.365 4.132 . 0 0 "[ . 1 . 2]" 1
1162 1 62 GLU HG3 1 86 LEU HB3 . . 5.090 3.619 3.197 4.028 . 0 0 "[ . 1 . 2]" 1
1163 1 62 GLU HG3 1 86 LEU QD . . 4.640 4.207 3.573 4.422 . 0 0 "[ . 1 . 2]" 1
1164 1 63 GLY H 1 63 GLY HA2 . . 2.950 2.972 2.933 3.015 0.065 16 0 "[ . 1 . 2]" 1
1165 1 63 GLY H 1 64 ALA H . . 3.410 2.188 2.074 2.288 . 0 0 "[ . 1 . 2]" 1
1166 1 63 GLY H 1 64 ALA MB . . 4.590 3.674 3.514 3.775 . 0 0 "[ . 1 . 2]" 1
1167 1 63 GLY H 1 82 ARG QB . . 5.050 5.089 4.949 5.141 0.091 5 0 "[ . 1 . 2]" 1
1168 1 63 GLY H 1 83 VAL H . . 4.610 4.675 4.643 4.690 0.080 6 0 "[ . 1 . 2]" 1
1169 1 63 GLY H 1 83 VAL HB . . 3.660 3.439 3.366 3.519 . 0 0 "[ . 1 . 2]" 1
1170 1 63 GLY H 1 83 VAL MG1 . . 4.070 4.106 3.957 4.168 0.098 16 0 "[ . 1 . 2]" 1
1171 1 63 GLY H 1 83 VAL MG2 . . 4.280 4.249 3.975 4.374 0.094 8 0 "[ . 1 . 2]" 1
1172 1 63 GLY HA2 1 82 ARG QB . . 4.200 2.710 2.447 3.142 . 0 0 "[ . 1 . 2]" 1
1173 1 63 GLY HA2 1 82 ARG QG . . 4.870 4.375 3.590 4.770 . 0 0 "[ . 1 . 2]" 1
1174 1 63 GLY HA2 1 83 VAL H . . 4.720 3.364 2.865 3.982 . 0 0 "[ . 1 . 2]" 1
1175 1 63 GLY HA3 1 82 ARG QB . . 4.790 4.075 3.697 4.510 . 0 0 "[ . 1 . 2]" 1
1176 1 64 ALA H 1 64 ALA MB . . 2.930 2.214 2.088 2.303 . 0 0 "[ . 1 . 2]" 1
1177 1 64 ALA H 1 65 GLU H . . 4.640 4.594 4.478 4.693 0.053 12 0 "[ . 1 . 2]" 1
1178 1 64 ALA H 1 82 ARG HA . . 5.500 4.962 4.734 5.127 . 0 0 "[ . 1 . 2]" 1
1179 1 64 ALA H 1 82 ARG QB . . 5.120 4.158 3.969 4.381 . 0 0 "[ . 1 . 2]" 1
1180 1 64 ALA H 1 83 VAL H . . 4.200 3.111 2.988 3.186 . 0 0 "[ . 1 . 2]" 1
1181 1 64 ALA H 1 83 VAL HA . . 4.990 5.067 5.037 5.079 0.089 5 0 "[ . 1 . 2]" 1
1182 1 64 ALA H 1 83 VAL HB . . 3.360 2.439 2.299 2.595 . 0 0 "[ . 1 . 2]" 1
1183 1 64 ALA H 1 83 VAL MG1 . . 4.340 3.735 3.556 3.895 . 0 0 "[ . 1 . 2]" 1
1184 1 64 ALA H 1 83 VAL MG2 . . 4.050 2.786 2.502 3.020 . 0 0 "[ . 1 . 2]" 1
1185 1 64 ALA HA 1 65 GLU H . . 2.640 2.248 2.137 2.366 . 0 0 "[ . 1 . 2]" 1
1186 1 64 ALA HA 1 65 GLU HG2 . . 4.770 4.309 3.782 4.977 0.207 8 0 "[ . 1 . 2]" 1
1187 1 64 ALA HA 1 65 GLU HG3 . . 4.970 4.630 2.980 5.047 0.077 11 0 "[ . 1 . 2]" 1
1188 1 64 ALA HA 1 82 ARG QB . . 5.090 5.052 4.698 5.193 0.103 6 0 "[ . 1 . 2]" 1
1189 1 64 ALA HA 1 83 VAL MG2 . . 5.070 4.267 3.938 4.576 . 0 0 "[ . 1 . 2]" 1
1190 1 64 ALA MB 1 65 GLU H . . 3.370 3.075 2.818 3.230 . 0 0 "[ . 1 . 2]" 1
1191 1 64 ALA MB 1 65 GLU HG3 . . 5.500 4.873 4.320 5.157 . 0 0 "[ . 1 . 2]" 1
1192 1 64 ALA MB 1 66 VAL H . . 5.500 4.519 3.598 4.931 . 0 0 "[ . 1 . 2]" 1
1193 1 64 ALA MB 1 66 VAL HB . . 5.500 4.907 4.562 5.208 . 0 0 "[ . 1 . 2]" 1
1194 1 64 ALA MB 1 66 VAL MG1 . . 4.090 2.326 2.021 2.578 . 0 0 "[ . 1 . 2]" 1
1195 1 64 ALA MB 1 83 VAL H . . 4.180 3.574 3.315 3.750 . 0 0 "[ . 1 . 2]" 1
1196 1 64 ALA MB 1 83 VAL HB . . 3.700 3.375 3.126 3.569 . 0 0 "[ . 1 . 2]" 1
1197 1 64 ALA MB 1 83 VAL MG2 . . 3.320 2.012 1.947 2.098 . 0 0 "[ . 1 . 2]" 1
1198 1 65 GLU H 1 65 GLU HB2 . . 3.290 3.356 2.380 3.681 0.391 5 0 "[ . 1 . 2]" 1
1199 1 65 GLU H 1 65 GLU HB3 . . 3.610 3.096 2.734 3.634 0.024 15 0 "[ . 1 . 2]" 1
1200 1 65 GLU H 1 65 GLU HG2 . . 3.660 2.529 1.930 3.521 . 0 0 "[ . 1 . 2]" 1
1201 1 65 GLU H 1 65 GLU HG3 . . 3.830 2.692 2.077 3.117 . 0 0 "[ . 1 . 2]" 1
1202 1 65 GLU H 1 66 VAL H . . 4.290 4.181 3.508 4.376 0.086 8 0 "[ . 1 . 2]" 1
1203 1 65 GLU HA 1 65 GLU HG2 . . 3.970 3.524 2.408 4.050 0.080 6 0 "[ . 1 . 2]" 1
1204 1 65 GLU HA 1 65 GLU HG3 . . 3.960 3.619 2.911 3.859 . 0 0 "[ . 1 . 2]" 1
1205 1 65 GLU HA 1 66 VAL H . . 2.830 2.153 2.020 2.428 . 0 0 "[ . 1 . 2]" 1
1206 1 65 GLU HA 1 66 VAL HA . . 4.850 4.436 4.381 4.529 . 0 0 "[ . 1 . 2]" 1
1207 1 65 GLU HA 1 66 VAL MG1 . . 4.330 3.690 3.435 4.066 . 0 0 "[ . 1 . 2]" 1
1208 1 65 GLU HA 1 66 VAL MG2 . . 4.620 3.730 3.262 4.363 . 0 0 "[ . 1 . 2]" 1
1209 1 65 GLU HA 1 81 GLY H . . 5.120 4.673 4.380 5.015 . 0 0 "[ . 1 . 2]" 1
1210 1 65 GLU HA 1 82 ARG HA . . 3.390 2.397 2.014 2.701 . 0 0 "[ . 1 . 2]" 1
1211 1 65 GLU HA 1 82 ARG QB . . 4.110 3.501 2.518 3.880 . 0 0 "[ . 1 . 2]" 1
1212 1 65 GLU HA 1 82 ARG HD2 . . 4.860 3.928 2.559 4.936 0.076 10 0 "[ . 1 . 2]" 1
1213 1 65 GLU HA 1 83 VAL H . . 4.270 4.184 3.800 4.349 0.079 6 0 "[ . 1 . 2]" 1
1214 1 65 GLU HB2 1 82 ARG HA . . 5.190 4.829 4.109 5.276 0.086 20 0 "[ . 1 . 2]" 1
1215 1 65 GLU HB3 1 66 VAL H . . 4.090 4.045 2.931 4.578 0.488 16 0 "[ . 1 . 2]" 1
1216 1 65 GLU HG2 1 66 VAL H . . 5.500 5.057 4.200 5.453 . 0 0 "[ . 1 . 2]" 1
1217 1 65 GLU HG3 1 66 VAL H . . 4.640 4.610 4.157 5.316 0.676 15 2 "[ . 1 + - 2]" 1
1218 1 66 VAL H 1 66 VAL HB . . 3.940 3.833 3.524 3.993 0.053 4 0 "[ . 1 . 2]" 1
1219 1 66 VAL H 1 66 VAL MG1 . . 3.320 2.814 2.106 3.188 . 0 0 "[ . 1 . 2]" 1
1220 1 66 VAL H 1 66 VAL MG2 . . 3.790 2.346 1.879 2.565 . 0 0 "[ . 1 . 2]" 1
1221 1 66 VAL H 1 67 SER H . . 5.210 4.466 4.274 4.814 . 0 0 "[ . 1 . 2]" 1
1222 1 66 VAL H 1 82 ARG HA . . 3.720 2.587 2.069 3.027 . 0 0 "[ . 1 . 2]" 1
1223 1 66 VAL H 1 82 ARG QB . . 5.250 4.432 3.753 4.844 . 0 0 "[ . 1 . 2]" 1
1224 1 66 VAL H 1 83 VAL H . . 4.940 4.426 3.577 4.985 0.045 6 0 "[ . 1 . 2]" 1
1225 1 66 VAL HA 1 66 VAL MG2 . . 3.360 3.253 3.214 3.282 . 0 0 "[ . 1 . 2]" 1
1226 1 66 VAL HA 1 67 SER H . . 2.920 2.318 2.099 2.567 . 0 0 "[ . 1 . 2]" 1
1227 1 66 VAL HB 1 67 SER H . . 3.150 2.858 2.557 3.091 . 0 0 "[ . 1 . 2]" 1
1228 1 66 VAL HB 1 67 SER HA . . 4.910 4.779 4.340 4.987 0.077 19 0 "[ . 1 . 2]" 1
1229 1 66 VAL HB 1 83 VAL MG2 . . 5.460 4.332 3.940 4.620 . 0 0 "[ . 1 . 2]" 1
1230 1 66 VAL MG1 1 67 SER H . . 4.080 3.927 3.660 4.094 0.014 14 0 "[ . 1 . 2]" 1
1231 1 66 VAL MG1 1 82 ARG HA . . 4.090 3.531 3.195 3.982 . 0 0 "[ . 1 . 2]" 1
1232 1 66 VAL MG1 1 82 ARG QB . . 5.500 4.730 4.434 5.203 . 0 0 "[ . 1 . 2]" 1
1233 1 66 VAL MG1 1 83 VAL H . . 4.580 3.534 3.269 3.906 . 0 0 "[ . 1 . 2]" 1
1234 1 66 VAL MG1 1 83 VAL HA . . 5.170 4.052 3.766 4.394 . 0 0 "[ . 1 . 2]" 1
1235 1 66 VAL MG2 1 67 SER H . . 3.670 3.722 3.542 3.778 0.108 19 0 "[ . 1 . 2]" 1
1236 1 66 VAL MG2 1 67 SER HA . . 4.930 4.049 3.532 4.286 . 0 0 "[ . 1 . 2]" 1
1237 1 66 VAL MG2 1 82 ARG HA . . 4.170 2.588 2.095 3.104 . 0 0 "[ . 1 . 2]" 1
1238 1 66 VAL MG2 1 83 VAL H . . 3.950 3.388 2.941 3.820 . 0 0 "[ . 1 . 2]" 1
1239 1 66 VAL MG2 1 83 VAL HA . . 4.890 3.260 3.001 3.695 . 0 0 "[ . 1 . 2]" 1
1240 1 67 SER H 1 67 SER HB2 . . 3.670 3.189 2.655 3.710 0.040 2 0 "[ . 1 . 2]" 1
1241 1 67 SER H 1 67 SER HB3 . . 3.610 3.530 2.753 3.703 0.093 8 0 "[ . 1 . 2]" 1
1242 1 67 SER H 1 68 VAL H . . 5.100 4.422 4.061 4.579 . 0 0 "[ . 1 . 2]" 1
1243 1 67 SER H 1 68 VAL HA . . 5.150 4.956 4.660 5.178 0.028 5 0 "[ . 1 . 2]" 1
1244 1 67 SER HA 1 68 VAL H . . 2.890 2.252 2.025 2.522 . 0 0 "[ . 1 . 2]" 1
1245 1 67 SER HA 1 68 VAL QG . . 4.150 3.268 2.922 3.575 . 0 0 "[ . 1 . 2]" 1
1246 1 67 SER HA 1 80 ASP H . . 5.340 4.933 4.689 5.379 0.039 13 0 "[ . 1 . 2]" 1
1247 1 67 SER HA 1 80 ASP HA . . 3.180 2.358 2.058 2.819 . 0 0 "[ . 1 . 2]" 1
1248 1 67 SER HA 1 81 GLY H . . 3.920 3.078 2.658 3.315 . 0 0 "[ . 1 . 2]" 1
1249 1 67 SER HB2 1 68 VAL H . . 3.910 3.453 2.579 3.995 0.085 10 0 "[ . 1 . 2]" 1
1250 1 67 SER HB2 1 68 VAL QG . . 5.490 4.617 4.170 4.925 . 0 0 "[ . 1 . 2]" 1
1251 1 67 SER HB2 1 78 ARG QD . . 4.780 3.732 2.332 4.839 0.059 7 0 "[ . 1 . 2]" 1
1252 1 67 SER HB2 1 80 ASP HA . . 4.580 4.305 2.874 4.663 0.083 8 0 "[ . 1 . 2]" 1
1253 1 67 SER HB3 1 68 VAL H . . 3.840 3.447 2.518 3.979 0.139 15 0 "[ . 1 . 2]" 1
1254 1 67 SER HB3 1 78 ARG QD . . 4.310 3.542 2.412 4.379 0.069 11 0 "[ . 1 . 2]" 1
1255 1 67 SER HB3 1 80 ASP HA . . 4.460 3.148 2.358 4.228 . 0 0 "[ . 1 . 2]" 1
1256 1 68 VAL H 1 68 VAL HB . . 3.610 3.521 2.790 3.684 0.074 10 0 "[ . 1 . 2]" 1
1257 1 68 VAL H 1 68 VAL QG . . 3.370 2.163 1.883 2.367 . 0 0 "[ . 1 . 2]" 1
1258 1 68 VAL H 1 69 SER H . . 4.480 4.425 4.155 4.567 0.087 11 0 "[ . 1 . 2]" 1
1259 1 68 VAL H 1 78 ARG HA . . 5.270 4.790 4.378 5.349 0.079 13 0 "[ . 1 . 2]" 1
1260 1 68 VAL H 1 79 CYS H . . 3.870 3.070 2.672 3.533 . 0 0 "[ . 1 . 2]" 1
1261 1 68 VAL H 1 79 CYS QB . . 5.420 3.986 3.678 4.343 . 0 0 "[ . 1 . 2]" 1
1262 1 68 VAL H 1 80 ASP HA . . 4.100 3.500 3.111 3.914 . 0 0 "[ . 1 . 2]" 1
1263 1 68 VAL H 1 81 GLY H . . 5.170 4.637 4.048 5.223 0.053 16 0 "[ . 1 . 2]" 1
1264 1 68 VAL HA 1 68 VAL QG . . 3.080 2.282 2.104 2.538 . 0 0 "[ . 1 . 2]" 1
1265 1 68 VAL HA 1 69 SER H . . 2.830 2.289 2.049 2.504 . 0 0 "[ . 1 . 2]" 1
1266 1 68 VAL HA 1 69 SER HA . . 4.690 4.447 4.275 4.595 . 0 0 "[ . 1 . 2]" 1
1267 1 68 VAL HA 1 79 CYS H . . 4.740 4.779 4.614 4.833 0.093 11 0 "[ . 1 . 2]" 1
1268 1 68 VAL HB 1 69 SER H . . 3.820 3.109 2.350 3.843 0.023 3 0 "[ . 1 . 2]" 1
1269 1 68 VAL HB 1 69 SER HA . . 4.920 4.126 3.516 4.540 . 0 0 "[ . 1 . 2]" 1
1270 1 68 VAL HB 1 79 CYS H . . 4.360 4.128 3.019 4.461 0.101 10 0 "[ . 1 . 2]" 1
1271 1 68 VAL HB 1 79 CYS QB . . 4.600 4.261 3.238 4.570 . 0 0 "[ . 1 . 2]" 1
1272 1 68 VAL HB 1 96 LEU QD . . 4.600 3.946 3.563 4.413 . 0 0 "[ . 1 . 2]" 1
1273 1 68 VAL QG 1 69 SER H . . 3.590 3.038 2.455 3.501 . 0 0 "[ . 1 . 2]" 1
1274 1 68 VAL QG 1 79 CYS H . . 4.600 2.484 1.677 3.805 . 0 0 "[ . 1 . 2]" 1
1275 1 68 VAL QG 1 79 CYS QB . . 3.980 2.270 1.958 3.284 . 0 0 "[ . 1 . 2]" 1
1276 1 68 VAL QG 1 80 ASP HA . . 5.110 3.931 3.666 4.252 . 0 0 "[ . 1 . 2]" 1
1277 1 68 VAL QG 1 81 GLY H . . 4.250 4.182 4.000 4.306 0.056 3 0 "[ . 1 . 2]" 1
1278 1 68 VAL QG 1 81 GLY HA3 . . 3.720 3.643 3.376 3.783 0.063 3 0 "[ . 1 . 2]" 1
1279 1 68 VAL QG 1 96 LEU HA . . 5.490 4.041 3.782 4.284 . 0 0 "[ . 1 . 2]" 1
1280 1 68 VAL QG 1 96 LEU QD . . 3.190 2.068 1.789 2.423 . 0 0 "[ . 1 . 2]" 1
1281 1 68 VAL QG 1 96 LEU HG . . 5.430 4.058 3.063 4.767 . 0 0 "[ . 1 . 2]" 1
1282 1 69 SER H 1 69 SER QB . . 3.100 3.079 2.740 3.208 0.108 11 0 "[ . 1 . 2]" 1
1283 1 69 SER H 1 70 VAL QG . . 5.500 4.444 3.477 4.823 . 0 0 "[ . 1 . 2]" 1
1284 1 69 SER H 1 78 ARG HA . . 5.500 4.593 4.378 4.895 . 0 0 "[ . 1 . 2]" 1
1285 1 69 SER HA 1 70 VAL H . . 2.850 2.314 2.136 2.490 . 0 0 "[ . 1 . 2]" 1
1286 1 69 SER HA 1 70 VAL HB . . 5.060 4.657 4.353 5.112 0.052 6 0 "[ . 1 . 2]" 1
1287 1 69 SER HA 1 70 VAL QG . . 4.530 3.695 3.355 3.972 . 0 0 "[ . 1 . 2]" 1
1288 1 69 SER HA 1 76 LEU QD . . 4.900 3.376 2.626 4.021 . 0 0 "[ . 1 . 2]" 1
1289 1 69 SER HA 1 77 CYS H . . 5.250 4.892 4.169 5.264 0.014 13 0 "[ . 1 . 2]" 1
1290 1 69 SER HA 1 77 CYS QB . . 5.500 4.793 4.338 5.289 . 0 0 "[ . 1 . 2]" 1
1291 1 69 SER HA 1 78 ARG H . . 5.160 4.653 4.292 4.991 . 0 0 "[ . 1 . 2]" 1
1292 1 69 SER HA 1 78 ARG HA . . 3.310 2.147 1.999 2.404 . 0 0 "[ . 1 . 2]" 1
1293 1 69 SER HA 1 78 ARG QB . . 4.850 2.973 2.200 4.203 . 0 0 "[ . 1 . 2]" 1
1294 1 69 SER HA 1 79 CYS H . . 4.210 3.607 3.275 3.944 . 0 0 "[ . 1 . 2]" 1
1295 1 69 SER QB 1 70 VAL H . . 3.490 3.071 2.617 3.593 0.103 7 0 "[ . 1 . 2]" 1
1296 1 69 SER QB 1 70 VAL QG . . 5.460 4.543 4.284 4.796 . 0 0 "[ . 1 . 2]" 1
1297 1 69 SER QB 1 76 LEU QD . . 3.320 2.125 1.767 2.571 . 0 0 "[ . 1 . 2]" 1
1298 1 69 SER QB 1 76 LEU HG . . 4.510 3.486 2.215 4.608 0.098 12 0 "[ . 1 . 2]" 1
1299 1 69 SER QB 1 77 CYS H . . 5.230 4.929 3.863 5.312 0.082 7 0 "[ . 1 . 2]" 1
1300 1 69 SER QB 1 78 ARG HA . . 3.960 3.237 2.637 3.701 . 0 0 "[ . 1 . 2]" 1
1301 1 69 SER QB 1 78 ARG QB . . 3.640 2.454 1.967 3.553 . 0 0 "[ . 1 . 2]" 1
1302 1 69 SER QB 1 78 ARG QD . . 4.950 3.795 2.918 4.628 . 0 0 "[ . 1 . 2]" 1
1303 1 69 SER QB 1 78 ARG QG . . 4.670 3.100 2.004 4.160 . 0 0 "[ . 1 . 2]" 1
1304 1 69 SER QB 1 79 CYS H . . 4.760 4.373 3.951 4.846 0.086 7 0 "[ . 1 . 2]" 1
1305 1 70 VAL H 1 70 VAL QG . . 3.290 2.503 2.329 2.670 . 0 0 "[ . 1 . 2]" 1
1306 1 70 VAL H 1 71 TRP H . . 5.500 4.246 4.112 4.424 . 0 0 "[ . 1 . 2]" 1
1307 1 70 VAL H 1 76 LEU HA . . 5.340 4.362 3.522 4.979 . 0 0 "[ . 1 . 2]" 1
1308 1 70 VAL H 1 76 LEU QD . . 3.240 2.619 2.187 2.989 . 0 0 "[ . 1 . 2]" 1
1309 1 70 VAL H 1 77 CYS QB . . 4.670 3.755 3.217 4.371 . 0 0 "[ . 1 . 2]" 1
1310 1 70 VAL H 1 78 ARG HA . . 4.320 3.637 3.194 4.027 . 0 0 "[ . 1 . 2]" 1
1311 1 70 VAL HA 1 70 VAL QG . . 3.200 2.288 2.189 2.396 . 0 0 "[ . 1 . 2]" 1
1312 1 70 VAL HA 1 71 TRP H . . 3.000 2.277 2.163 2.507 . 0 0 "[ . 1 . 2]" 1
1313 1 70 VAL HA 1 71 TRP HD1 . . 3.790 3.652 3.064 3.869 0.079 16 0 "[ . 1 . 2]" 1
1314 1 70 VAL HA 1 76 LEU QD . . 4.110 3.388 2.677 4.085 . 0 0 "[ . 1 . 2]" 1
1315 1 70 VAL HB 1 71 TRP H . . 3.950 3.947 3.089 4.029 0.079 8 0 "[ . 1 . 2]" 1
1316 1 70 VAL HB 1 76 LEU QD . . 5.500 4.849 4.379 5.452 . 0 0 "[ . 1 . 2]" 1
1317 1 70 VAL QG 1 71 TRP H . . 3.260 2.203 1.960 2.326 . 0 0 "[ . 1 . 2]" 1
1318 1 70 VAL QG 1 71 TRP HA . . 5.500 3.720 3.635 3.967 . 0 0 "[ . 1 . 2]" 1
1319 1 70 VAL QG 1 71 TRP HB2 . . 4.960 3.767 3.525 3.880 . 0 0 "[ . 1 . 2]" 1
1320 1 70 VAL QG 1 71 TRP HB3 . . 4.740 4.622 4.476 4.731 . 0 0 "[ . 1 . 2]" 1
1321 1 70 VAL QG 1 71 TRP HD1 . . 4.620 4.199 3.662 4.541 . 0 0 "[ . 1 . 2]" 1
1322 1 70 VAL QG 1 72 THR H . . 5.500 3.752 3.299 4.315 . 0 0 "[ . 1 . 2]" 1
1323 1 70 VAL QG 1 72 THR HA . . 4.630 3.997 3.524 4.309 . 0 0 "[ . 1 . 2]" 1
1324 1 70 VAL QG 1 72 THR HB . . 3.870 2.689 2.363 3.300 . 0 0 "[ . 1 . 2]" 1
1325 1 70 VAL QG 1 72 THR MG . . 3.470 2.579 2.016 3.363 . 0 0 "[ . 1 . 2]" 1
1326 1 70 VAL QG 1 76 LEU QD . . 5.500 3.733 3.433 4.106 . 0 0 "[ . 1 . 2]" 1
1327 1 70 VAL QG 1 77 CYS H . . 5.150 3.706 3.302 4.186 . 0 0 "[ . 1 . 2]" 1
1328 1 70 VAL QG 1 77 CYS QB . . 4.070 2.966 2.179 3.732 . 0 0 "[ . 1 . 2]" 1
1329 1 71 TRP H 1 71 TRP HB2 . . 3.410 2.374 2.208 2.455 . 0 0 "[ . 1 . 2]" 1
1330 1 71 TRP H 1 71 TRP HB3 . . 3.660 3.576 3.459 3.638 . 0 0 "[ . 1 . 2]" 1
1331 1 71 TRP H 1 71 TRP HD1 . . 3.380 2.790 2.372 3.196 . 0 0 "[ . 1 . 2]" 1
1332 1 71 TRP H 1 72 THR H . . 4.880 4.328 3.605 4.498 . 0 0 "[ . 1 . 2]" 1
1333 1 71 TRP H 1 72 THR MG . . 5.500 4.861 4.264 5.424 . 0 0 "[ . 1 . 2]" 1
1334 1 71 TRP H 1 76 LEU HA . . 5.500 4.798 4.182 5.170 . 0 0 "[ . 1 . 2]" 1
1335 1 71 TRP H 1 76 LEU QD . . 4.600 3.587 2.998 4.335 . 0 0 "[ . 1 . 2]" 1
1336 1 71 TRP HA 1 71 TRP HD1 . . 4.230 4.128 3.929 4.281 0.051 2 0 "[ . 1 . 2]" 1
1337 1 71 TRP HA 1 71 TRP HE3 . . 3.490 3.108 2.653 3.525 0.035 12 0 "[ . 1 . 2]" 1
1338 1 71 TRP HA 1 72 THR H . . 2.930 2.245 2.169 2.426 . 0 0 "[ . 1 . 2]" 1
1339 1 71 TRP HA 1 72 THR HA . . 4.650 4.439 4.318 4.521 . 0 0 "[ . 1 . 2]" 1
1340 1 71 TRP HA 1 72 THR MG . . 4.450 3.899 3.082 4.517 0.067 8 0 "[ . 1 . 2]" 1
1341 1 71 TRP HA 1 75 ALA H . . 4.810 4.647 3.818 4.881 0.071 15 0 "[ . 1 . 2]" 1
1342 1 71 TRP HA 1 76 LEU HA . . 3.430 2.453 2.129 2.893 . 0 0 "[ . 1 . 2]" 1
1343 1 71 TRP HA 1 76 LEU HB2 . . 4.940 4.311 3.707 4.936 . 0 0 "[ . 1 . 2]" 1
1344 1 71 TRP HA 1 76 LEU QD . . 3.990 2.885 2.425 3.456 . 0 0 "[ . 1 . 2]" 1
1345 1 71 TRP HA 1 77 CYS H . . 4.200 3.333 3.017 3.679 . 0 0 "[ . 1 . 2]" 1
1346 1 71 TRP HB2 1 71 TRP HD1 . . 3.220 2.691 2.615 2.782 . 0 0 "[ . 1 . 2]" 1
1347 1 71 TRP HB2 1 72 THR H . . 4.980 4.436 4.090 4.679 . 0 0 "[ . 1 . 2]" 1
1348 1 71 TRP HB3 1 71 TRP HE3 . . 3.250 2.650 2.533 2.784 . 0 0 "[ . 1 . 2]" 1
1349 1 71 TRP HB3 1 72 THR H . . 4.390 3.665 3.017 4.214 . 0 0 "[ . 1 . 2]" 1
1350 1 71 TRP HD1 1 76 LEU HA . . 5.360 5.304 5.045 5.433 0.073 14 0 "[ . 1 . 2]" 1
1351 1 71 TRP HD1 1 76 LEU QD . . 3.610 3.322 3.029 3.665 0.055 19 0 "[ . 1 . 2]" 1
1352 1 71 TRP HE1 1 76 LEU QD . . 4.460 2.994 2.662 3.505 . 0 0 "[ . 1 . 2]" 1
1353 1 71 TRP HE3 1 72 THR H . . 4.640 4.280 3.979 4.715 0.075 2 0 "[ . 1 . 2]" 1
1354 1 71 TRP HE3 1 75 ALA H . . 4.910 4.290 3.523 4.966 0.056 9 0 "[ . 1 . 2]" 1
1355 1 71 TRP HE3 1 75 ALA HA . . 4.420 3.520 2.390 4.199 . 0 0 "[ . 1 . 2]" 1
1356 1 71 TRP HE3 1 76 LEU H . . 4.340 3.998 3.168 4.406 0.066 17 0 "[ . 1 . 2]" 1
1357 1 71 TRP HE3 1 76 LEU HA . . 3.890 3.491 3.069 3.929 0.039 9 0 "[ . 1 . 2]" 1
1358 1 71 TRP HE3 1 76 LEU HB2 . . 4.020 3.543 3.144 3.870 . 0 0 "[ . 1 . 2]" 1
1359 1 71 TRP HE3 1 76 LEU HB3 . . 5.170 4.980 4.615 5.214 0.044 9 0 "[ . 1 . 2]" 1
1360 1 71 TRP HE3 1 76 LEU QD . . 3.990 3.902 3.678 3.994 0.004 15 0 "[ . 1 . 2]" 1
1361 1 71 TRP HE3 1 106 ARG QG . . 4.790 4.095 2.768 4.880 0.090 9 0 "[ . 1 . 2]" 1
1362 1 71 TRP HH2 1 76 LEU H . . 4.780 4.777 3.921 4.862 0.082 10 0 "[ . 1 . 2]" 1
1363 1 71 TRP HH2 1 76 LEU HB2 . . 4.520 3.185 2.924 3.507 . 0 0 "[ . 1 . 2]" 1
1364 1 71 TRP HH2 1 106 ARG HA . . 4.820 3.899 2.289 4.880 0.060 18 0 "[ . 1 . 2]" 1
1365 1 71 TRP HH2 1 106 ARG QB . . 4.410 4.013 3.192 4.497 0.087 6 0 "[ . 1 . 2]" 1
1366 1 71 TRP HH2 1 106 ARG QG . . 4.660 3.492 2.325 4.740 0.080 7 0 "[ . 1 . 2]" 1
1367 1 71 TRP HZ2 1 76 LEU HB2 . . 4.640 3.613 3.271 4.181 . 0 0 "[ . 1 . 2]" 1
1368 1 71 TRP HZ2 1 76 LEU QD . . 3.720 3.041 2.441 3.558 . 0 0 "[ . 1 . 2]" 1
1369 1 71 TRP HZ3 1 75 ALA HA . . 3.640 3.221 2.690 3.709 0.069 8 0 "[ . 1 . 2]" 1
1370 1 71 TRP HZ3 1 76 LEU H . . 4.000 3.533 2.606 4.027 0.027 10 0 "[ . 1 . 2]" 1
1371 1 71 TRP HZ3 1 76 LEU HB2 . . 4.620 3.160 2.798 3.457 . 0 0 "[ . 1 . 2]" 1
1372 1 71 TRP HZ3 1 76 LEU HB3 . . 4.630 4.356 4.010 4.622 . 0 0 "[ . 1 . 2]" 1
1373 1 71 TRP HZ3 1 105 ARG HA . . 4.040 3.158 2.068 4.120 0.080 17 0 "[ . 1 . 2]" 1
1374 1 71 TRP HZ3 1 106 ARG H . . 4.370 3.224 2.337 4.344 . 0 0 "[ . 1 . 2]" 1
1375 1 71 TRP HZ3 1 106 ARG QB . . 4.100 2.887 2.067 4.204 0.104 9 0 "[ . 1 . 2]" 1
1376 1 71 TRP HZ3 1 106 ARG QD . . 4.550 4.090 3.032 4.637 0.087 18 0 "[ . 1 . 2]" 1
1377 1 71 TRP HZ3 1 106 ARG QG . . 4.490 2.996 2.238 3.838 . 0 0 "[ . 1 . 2]" 1
1378 1 72 THR H 1 72 THR HB . . 4.090 3.326 2.848 3.613 . 0 0 "[ . 1 . 2]" 1
1379 1 72 THR H 1 72 THR MG . . 3.430 2.469 2.224 2.835 . 0 0 "[ . 1 . 2]" 1
1380 1 72 THR H 1 75 ALA H . . 3.670 3.456 3.058 3.739 0.069 10 0 "[ . 1 . 2]" 1
1381 1 72 THR H 1 75 ALA MB . . 5.030 4.599 3.979 5.115 0.085 2 0 "[ . 1 . 2]" 1
1382 1 72 THR H 1 76 LEU HA . . 4.150 3.646 3.308 4.229 0.079 6 0 "[ . 1 . 2]" 1
1383 1 72 THR H 1 76 LEU QD . . 5.500 4.467 4.052 4.882 . 0 0 "[ . 1 . 2]" 1
1384 1 72 THR H 1 77 CYS H . . 5.050 3.673 2.958 4.444 . 0 0 "[ . 1 . 2]" 1
1385 1 72 THR H 1 77 CYS QB . . 4.460 4.195 3.714 4.435 . 0 0 "[ . 1 . 2]" 1
1386 1 72 THR MG 1 73 GLY HA2 . . 5.500 4.796 4.141 5.599 0.099 1 0 "[ . 1 . 2]" 1
1387 1 72 THR MG 1 75 ALA H . . 5.140 4.335 3.781 5.026 . 0 0 "[ . 1 . 2]" 1
1388 1 72 THR MG 1 77 CYS H . . 4.570 3.579 2.934 4.628 0.058 8 0 "[ . 1 . 2]" 1
1389 1 72 THR MG 1 77 CYS QB . . 3.770 2.632 2.005 3.144 . 0 0 "[ . 1 . 2]" 1
1390 1 72 THR MG 1 100 VAL QG . . 5.500 4.487 3.798 5.062 . 0 0 "[ . 1 . 2]" 1
1391 1 73 GLY HA2 1 75 ALA H . . 5.090 4.759 4.283 5.168 0.078 2 0 "[ . 1 . 2]" 1
1392 1 74 GLY H 1 75 ALA H . . 3.890 2.659 1.703 3.737 . 0 0 "[ . 1 . 2]" 1
1393 1 75 ALA H 1 75 ALA MB . . 3.290 2.648 2.330 3.014 . 0 0 "[ . 1 . 2]" 1
1394 1 75 ALA H 1 76 LEU H . . 4.930 4.395 4.262 4.564 . 0 0 "[ . 1 . 2]" 1
1395 1 75 ALA HA 1 76 LEU H . . 2.870 2.554 2.213 2.838 . 0 0 "[ . 1 . 2]" 1
1396 1 75 ALA HA 1 76 LEU HB2 . . 5.020 4.456 4.015 4.841 . 0 0 "[ . 1 . 2]" 1
1397 1 75 ALA HA 1 76 LEU HB3 . . 5.110 4.869 4.572 5.181 0.071 2 0 "[ . 1 . 2]" 1
1398 1 75 ALA MB 1 76 LEU H . . 3.280 2.208 1.894 2.479 . 0 0 "[ . 1 . 2]" 1
1399 1 75 ALA MB 1 76 LEU HB2 . . 5.200 4.570 4.005 4.857 . 0 0 "[ . 1 . 2]" 1
1400 1 75 ALA MB 1 102 GLU HB2 . . 4.750 3.318 2.052 4.209 . 0 0 "[ . 1 . 2]" 1
1401 1 75 ALA MB 1 102 GLU HB3 . . 5.320 2.492 2.065 3.026 . 0 0 "[ . 1 . 2]" 1
1402 1 75 ALA MB 1 102 GLU QG . . 3.780 2.636 2.065 3.704 . 0 0 "[ . 1 . 2]" 1
1403 1 75 ALA MB 1 103 LEU H . . 5.340 4.566 3.848 5.311 . 0 0 "[ . 1 . 2]" 1
1404 1 75 ALA MB 1 104 GLN HA . . 4.970 5.058 5.001 5.080 0.110 12 0 "[ . 1 . 2]" 1
1405 1 75 ALA MB 1 105 ARG HA . . 3.930 2.780 2.201 3.560 . 0 0 "[ . 1 . 2]" 1
1406 1 75 ALA MB 1 105 ARG HB2 . . 5.500 4.344 3.026 5.046 . 0 0 "[ . 1 . 2]" 1
1407 1 75 ALA MB 1 105 ARG QD . . 5.430 3.676 2.077 4.860 . 0 0 "[ . 1 . 2]" 1
1408 1 75 ALA MB 1 105 ARG HG3 . . 3.720 2.760 2.172 3.849 0.129 4 0 "[ . 1 . 2]" 1
1409 1 76 LEU H 1 76 LEU HB2 . . 3.670 2.721 2.415 2.984 . 0 0 "[ . 1 . 2]" 1
1410 1 76 LEU H 1 76 LEU HB3 . . 3.640 2.489 2.368 2.767 . 0 0 "[ . 1 . 2]" 1
1411 1 76 LEU H 1 76 LEU QD . . 4.530 3.789 3.666 3.902 . 0 0 "[ . 1 . 2]" 1
1412 1 76 LEU H 1 76 LEU HG . . 4.940 4.513 4.334 4.800 . 0 0 "[ . 1 . 2]" 1
1413 1 76 LEU H 1 77 CYS H . . 4.950 4.264 4.073 4.636 . 0 0 "[ . 1 . 2]" 1
1414 1 76 LEU H 1 104 GLN HA . . 5.500 4.912 4.583 5.504 0.004 2 0 "[ . 1 . 2]" 1
1415 1 76 LEU H 1 104 GLN HB2 . . 5.290 4.014 3.567 4.538 . 0 0 "[ . 1 . 2]" 1
1416 1 76 LEU H 1 104 GLN QG . . 5.500 5.498 5.255 5.610 0.110 13 0 "[ . 1 . 2]" 1
1417 1 76 LEU H 1 105 ARG HA . . 4.410 2.932 2.078 3.648 . 0 0 "[ . 1 . 2]" 1
1418 1 76 LEU H 1 105 ARG HG3 . . 4.840 4.328 3.375 5.477 0.637 4 1 "[ +. 1 . 2]" 1
1419 1 76 LEU HA 1 76 LEU QD . . 3.170 2.101 1.988 2.210 . 0 0 "[ . 1 . 2]" 1
1420 1 76 LEU HA 1 77 CYS H . . 3.040 2.188 2.002 2.547 . 0 0 "[ . 1 . 2]" 1
1421 1 76 LEU HA 1 77 CYS QB . . 4.820 4.278 3.840 4.610 . 0 0 "[ . 1 . 2]" 1
1422 1 76 LEU HB2 1 77 CYS H . . 4.500 4.414 4.153 4.583 0.083 13 0 "[ . 1 . 2]" 1
1423 1 76 LEU HB2 1 104 GLN H . . 5.370 4.540 3.366 5.459 0.089 13 0 "[ . 1 . 2]" 1
1424 1 76 LEU HB2 1 104 GLN HB2 . . 5.070 3.363 2.304 4.041 . 0 0 "[ . 1 . 2]" 1
1425 1 76 LEU HB2 1 104 GLN HB3 . . 5.000 3.860 2.249 5.109 0.109 13 0 "[ . 1 . 2]" 1
1426 1 76 LEU HB2 1 104 GLN QG . . 5.370 4.941 4.292 5.450 0.080 17 0 "[ . 1 . 2]" 1
1427 1 76 LEU HB3 1 103 LEU H . . 4.900 4.048 2.890 4.978 0.078 10 0 "[ . 1 . 2]" 1
1428 1 76 LEU HB3 1 104 GLN H . . 5.220 3.017 2.228 4.115 . 0 0 "[ . 1 . 2]" 1
1429 1 76 LEU HB3 1 104 GLN HB2 . . 4.880 2.383 2.071 3.521 . 0 0 "[ . 1 . 2]" 1
1430 1 76 LEU HB3 1 104 GLN HB3 . . 4.670 3.382 2.249 4.938 0.268 13 0 "[ . 1 . 2]" 1
1431 1 76 LEU HB3 1 104 GLN QG . . 4.700 4.086 3.656 4.496 . 0 0 "[ . 1 . 2]" 1
1432 1 76 LEU QD 1 77 CYS H . . 4.060 2.646 1.980 3.773 . 0 0 "[ . 1 . 2]" 1
1433 1 76 LEU QD 1 78 ARG QB . . 4.650 2.663 1.898 3.645 . 0 0 "[ . 1 . 2]" 1
1434 1 76 LEU QD 1 103 LEU H . . 5.350 4.133 3.276 5.110 . 0 0 "[ . 1 . 2]" 1
1435 1 76 LEU QD 1 103 LEU HG . . 5.500 4.562 3.144 5.443 . 0 0 "[ . 1 . 2]" 1
1436 1 76 LEU QD 1 104 GLN HB2 . . 4.700 2.453 2.086 3.410 . 0 0 "[ . 1 . 2]" 1
1437 1 76 LEU QD 1 104 GLN HB3 . . 4.970 3.471 2.508 4.747 . 0 0 "[ . 1 . 2]" 1
1438 1 76 LEU QD 1 104 GLN QG . . 4.440 3.190 2.293 4.054 . 0 0 "[ . 1 . 2]" 1
1439 1 76 LEU HG 1 77 CYS H . . 4.460 4.032 2.426 4.560 0.100 15 0 "[ . 1 . 2]" 1
1440 1 76 LEU HG 1 78 ARG QB . . 4.230 3.693 2.770 4.339 0.109 1 0 "[ . 1 . 2]" 1
1441 1 77 CYS H 1 77 CYS QB . . 3.380 2.417 2.211 2.941 . 0 0 "[ . 1 . 2]" 1
1442 1 77 CYS HA 1 78 ARG H . . 2.960 2.243 2.161 2.368 . 0 0 "[ . 1 . 2]" 1
1443 1 77 CYS HA 1 78 ARG QB . . 4.200 4.212 3.828 4.306 0.106 13 0 "[ . 1 . 2]" 1
1444 1 77 CYS HA 1 100 VAL QG . . 4.220 3.202 2.610 3.840 . 0 0 "[ . 1 . 2]" 1
1445 1 77 CYS HA 1 101 ARG H . . 5.180 4.397 3.999 4.905 . 0 0 "[ . 1 . 2]" 1
1446 1 77 CYS HA 1 102 GLU H . . 5.350 4.472 2.996 5.234 . 0 0 "[ . 1 . 2]" 1
1447 1 77 CYS HA 1 102 GLU HA . . 3.320 2.523 2.057 3.275 . 0 0 "[ . 1 . 2]" 1
1448 1 77 CYS HA 1 102 GLU QG . . 4.820 4.177 3.070 4.918 0.098 3 0 "[ . 1 . 2]" 1
1449 1 77 CYS HA 1 103 LEU H . . 3.800 3.365 2.531 3.875 0.075 8 0 "[ . 1 . 2]" 1
1450 1 77 CYS HA 1 103 LEU QD . . 5.390 3.864 2.632 4.596 . 0 0 "[ . 1 . 2]" 1
1451 1 77 CYS QB 1 78 ARG H . . 4.520 3.425 2.730 4.027 . 0 0 "[ . 1 . 2]" 1
1452 1 77 CYS QB 1 100 VAL QG . . 3.490 2.319 2.081 3.200 . 0 0 "[ . 1 . 2]" 1
1453 1 78 ARG H 1 78 ARG QB . . 3.360 2.744 2.272 3.093 . 0 0 "[ . 1 . 2]" 1
1454 1 78 ARG H 1 78 ARG QD . . 5.270 4.463 4.111 4.753 . 0 0 "[ . 1 . 2]" 1
1455 1 78 ARG H 1 78 ARG QG . . 4.610 3.729 2.788 4.351 . 0 0 "[ . 1 . 2]" 1
1456 1 78 ARG H 1 79 CYS H . . 4.700 4.341 4.067 4.532 . 0 0 "[ . 1 . 2]" 1
1457 1 78 ARG H 1 100 VAL HA . . 5.290 4.755 4.118 5.364 0.074 8 0 "[ . 1 . 2]" 1
1458 1 78 ARG H 1 100 VAL QG . . 4.300 3.004 2.371 3.849 . 0 0 "[ . 1 . 2]" 1
1459 1 78 ARG H 1 102 GLU HA . . 4.090 3.901 2.972 4.177 0.087 12 0 "[ . 1 . 2]" 1
1460 1 78 ARG H 1 103 LEU H . . 5.080 3.595 2.910 4.471 . 0 0 "[ . 1 . 2]" 1
1461 1 78 ARG H 1 103 LEU QD . . 4.550 2.737 1.919 3.633 . 0 0 "[ . 1 . 2]" 1
1462 1 78 ARG HA 1 78 ARG QD . . 5.080 3.460 2.441 3.741 . 0 0 "[ . 1 . 2]" 1
1463 1 78 ARG HA 1 79 CYS H . . 3.010 2.282 2.102 2.479 . 0 0 "[ . 1 . 2]" 1
1464 1 78 ARG HA 1 79 CYS HA . . 5.130 4.437 4.338 4.545 . 0 0 "[ . 1 . 2]" 1
1465 1 78 ARG HA 1 79 CYS QB . . 5.000 3.935 3.616 4.651 . 0 0 "[ . 1 . 2]" 1
1466 1 78 ARG HA 1 100 VAL QG . . 5.500 3.850 3.407 4.600 . 0 0 "[ . 1 . 2]" 1
1467 1 78 ARG HA 1 103 LEU QD . . 5.270 4.206 3.667 4.733 . 0 0 "[ . 1 . 2]" 1
1468 1 78 ARG QB 1 78 ARG QD . . 3.040 2.361 2.106 2.831 . 0 0 "[ . 1 . 2]" 1
1469 1 78 ARG QB 1 79 CYS H . . 4.260 3.316 2.525 3.854 . 0 0 "[ . 1 . 2]" 1
1470 1 78 ARG QB 1 79 CYS HA . . 4.720 4.575 3.446 4.807 0.087 1 0 "[ . 1 . 2]" 1
1471 1 78 ARG QB 1 103 LEU QD . . 4.080 2.526 1.850 3.786 . 0 0 "[ . 1 . 2]" 1
1472 1 78 ARG QD 1 79 CYS H . . 4.840 2.717 1.912 3.532 . 0 0 "[ . 1 . 2]" 1
1473 1 78 ARG QD 1 79 CYS HA . . 3.130 3.071 2.532 3.233 0.103 8 0 "[ . 1 . 2]" 1
1474 1 78 ARG QD 1 103 LEU QD . . 3.900 2.999 1.867 3.681 . 0 0 "[ . 1 . 2]" 1
1475 1 78 ARG QG 1 79 CYS H . . 3.630 3.176 2.579 3.543 . 0 0 "[ . 1 . 2]" 1
1476 1 79 CYS H 1 100 VAL QG . . 5.500 3.996 3.393 4.589 . 0 0 "[ . 1 . 2]" 1
1477 1 79 CYS HA 1 80 ASP H . . 3.010 2.425 2.200 2.721 . 0 0 "[ . 1 . 2]" 1
1478 1 79 CYS HA 1 80 ASP HA . . 4.560 4.485 4.382 4.568 0.008 5 0 "[ . 1 . 2]" 1
1479 1 79 CYS HA 1 100 VAL HA . . 3.990 3.540 2.775 3.982 . 0 0 "[ . 1 . 2]" 1
1480 1 79 CYS HA 1 100 VAL QG . . 4.290 3.650 3.155 3.856 . 0 0 "[ . 1 . 2]" 1
1481 1 79 CYS HA 1 103 LEU QD . . 3.990 3.922 2.937 4.158 0.168 13 0 "[ . 1 . 2]" 1
1482 1 79 CYS QB 1 80 ASP H . . 4.620 3.247 2.662 3.856 . 0 0 "[ . 1 . 2]" 1
1483 1 79 CYS QB 1 96 LEU QD . . 3.820 3.015 2.412 3.509 . 0 0 "[ . 1 . 2]" 1
1484 1 79 CYS QB 1 100 VAL HA . . 4.260 2.890 2.207 3.260 . 0 0 "[ . 1 . 2]" 1
1485 1 79 CYS QB 1 100 VAL QG . . 3.530 2.146 1.849 3.065 . 0 0 "[ . 1 . 2]" 1
1486 1 79 CYS QB 1 101 ARG H . . 5.500 4.398 3.526 4.939 . 0 0 "[ . 1 . 2]" 1
1487 1 80 ASP H 1 80 ASP HB2 . . 3.390 2.470 2.346 2.969 . 0 0 "[ . 1 . 2]" 1
1488 1 80 ASP H 1 80 ASP HB3 . . 3.860 3.640 3.533 3.864 0.004 17 0 "[ . 1 . 2]" 1
1489 1 80 ASP H 1 81 GLY H . . 4.830 4.514 4.303 4.735 . 0 0 "[ . 1 . 2]" 1
1490 1 80 ASP H 1 97 VAL H . . 5.320 4.258 3.652 5.050 . 0 0 "[ . 1 . 2]" 1
1491 1 80 ASP H 1 97 VAL QG . . 4.920 4.158 3.675 4.888 . 0 0 "[ . 1 . 2]" 1
1492 1 80 ASP H 1 100 VAL HA . . 5.500 5.083 4.530 5.371 . 0 0 "[ . 1 . 2]" 1
1493 1 80 ASP HA 1 81 GLY H . . 3.050 2.356 2.178 2.548 . 0 0 "[ . 1 . 2]" 1
1494 1 80 ASP HB2 1 81 GLY H . . 4.040 3.987 3.627 4.120 0.080 20 0 "[ . 1 . 2]" 1
1495 1 80 ASP HB2 1 97 VAL H . . 5.500 4.559 3.842 5.482 . 0 0 "[ . 1 . 2]" 1
1496 1 80 ASP HB2 1 97 VAL QG . . 3.800 3.132 2.357 3.833 0.033 14 0 "[ . 1 . 2]" 1
1497 1 80 ASP HB3 1 81 GLY H . . 3.580 2.915 2.520 3.297 . 0 0 "[ . 1 . 2]" 1
1498 1 80 ASP HB3 1 97 VAL QG . . 3.960 3.419 2.600 4.019 0.059 20 0 "[ . 1 . 2]" 1
1499 1 81 GLY H 1 82 ARG H . . 5.430 4.305 4.220 4.371 . 0 0 "[ . 1 . 2]" 1
1500 1 81 GLY H 1 96 LEU HA . . 5.190 5.008 4.465 5.268 0.078 6 0 "[ . 1 . 2]" 1
1501 1 81 GLY H 1 96 LEU QD . . 5.500 4.984 4.179 5.314 . 0 0 "[ . 1 . 2]" 1
1502 1 81 GLY H 1 97 VAL QG . . 5.500 3.694 3.175 4.096 . 0 0 "[ . 1 . 2]" 1
1503 1 81 GLY HA2 1 82 ARG QG . . 3.920 3.848 3.376 4.021 0.101 2 0 "[ . 1 . 2]" 1
1504 1 81 GLY HA2 1 96 LEU HA . . 3.660 2.980 2.357 3.468 . 0 0 "[ . 1 . 2]" 1
1505 1 81 GLY HA2 1 97 VAL H . . 3.930 2.779 2.387 3.207 . 0 0 "[ . 1 . 2]" 1
1506 1 81 GLY HA2 1 97 VAL HB . . 4.900 4.850 4.571 4.979 0.079 5 0 "[ . 1 . 2]" 1
1507 1 81 GLY HA2 1 97 VAL QG . . 3.390 1.996 1.936 2.059 . 0 0 "[ . 1 . 2]" 1
1508 1 81 GLY HA3 1 82 ARG H . . 3.370 2.472 2.352 2.553 . 0 0 "[ . 1 . 2]" 1
1509 1 81 GLY HA3 1 82 ARG QB . . 5.040 5.025 4.838 5.139 0.099 7 0 "[ . 1 . 2]" 1
1510 1 81 GLY HA3 1 82 ARG QG . . 5.420 4.596 4.311 4.802 . 0 0 "[ . 1 . 2]" 1
1511 1 81 GLY HA3 1 95 ARG H . . 5.130 4.503 3.971 4.791 . 0 0 "[ . 1 . 2]" 1
1512 1 81 GLY HA3 1 96 LEU HA . . 3.810 2.878 2.323 3.335 . 0 0 "[ . 1 . 2]" 1
1513 1 81 GLY HA3 1 96 LEU QD . . 4.140 3.265 2.566 3.718 . 0 0 "[ . 1 . 2]" 1
1514 1 81 GLY HA3 1 97 VAL H . . 4.000 3.716 3.506 3.892 . 0 0 "[ . 1 . 2]" 1
1515 1 81 GLY HA3 1 97 VAL QG . . 3.980 3.410 3.216 3.529 . 0 0 "[ . 1 . 2]" 1
1516 1 82 ARG H 1 82 ARG QB . . 3.620 2.959 2.800 3.294 . 0 0 "[ . 1 . 2]" 1
1517 1 82 ARG H 1 82 ARG QG . . 3.980 3.278 2.336 3.725 . 0 0 "[ . 1 . 2]" 1
1518 1 82 ARG H 1 83 VAL H . . 5.500 4.387 4.319 4.457 . 0 0 "[ . 1 . 2]" 1
1519 1 82 ARG H 1 94 ILE HB . . 4.560 3.982 3.679 4.501 . 0 0 "[ . 1 . 2]" 1
1520 1 82 ARG H 1 94 ILE MG . . 4.090 4.162 4.038 4.188 0.098 17 0 "[ . 1 . 2]" 1
1521 1 82 ARG H 1 95 ARG H . . 3.640 2.819 2.504 3.096 . 0 0 "[ . 1 . 2]" 1
1522 1 82 ARG H 1 95 ARG HB3 . . 4.980 3.377 2.658 4.716 . 0 0 "[ . 1 . 2]" 1
1523 1 82 ARG H 1 96 LEU HA . . 4.620 4.081 3.741 4.499 . 0 0 "[ . 1 . 2]" 1
1524 1 82 ARG H 1 96 LEU QD . . 4.980 4.377 3.847 4.914 . 0 0 "[ . 1 . 2]" 1
1525 1 82 ARG H 1 97 VAL H . . 5.020 4.953 4.658 5.096 0.076 10 0 "[ . 1 . 2]" 1
1526 1 82 ARG H 1 97 VAL QG . . 4.060 3.465 3.107 3.740 . 0 0 "[ . 1 . 2]" 1
1527 1 82 ARG HA 1 82 ARG HD2 . . 4.290 3.872 2.871 4.399 0.109 4 0 "[ . 1 . 2]" 1
1528 1 82 ARG HA 1 82 ARG HD3 . . 4.310 4.108 2.563 4.386 0.076 2 0 "[ . 1 . 2]" 1
1529 1 82 ARG HA 1 82 ARG QG . . 3.970 2.522 2.225 3.366 . 0 0 "[ . 1 . 2]" 1
1530 1 82 ARG HA 1 83 VAL H . . 2.890 2.510 2.396 2.641 . 0 0 "[ . 1 . 2]" 1
1531 1 82 ARG HA 1 83 VAL HB . . 4.910 4.753 4.596 4.900 . 0 0 "[ . 1 . 2]" 1
1532 1 82 ARG HA 1 83 VAL MG2 . . 4.300 3.753 3.533 3.945 . 0 0 "[ . 1 . 2]" 1
1533 1 82 ARG QB 1 82 ARG HD3 . . 2.820 2.872 2.098 3.359 0.539 3 3 "[- + . 1 * 2]" 1
1534 1 82 ARG QB 1 83 VAL H . . 3.650 2.361 2.115 2.546 . 0 0 "[ . 1 . 2]" 1
1535 1 82 ARG QB 1 83 VAL HB . . 4.950 4.000 3.802 4.096 . 0 0 "[ . 1 . 2]" 1
1536 1 82 ARG QB 1 83 VAL MG2 . . 4.590 4.151 3.956 4.359 . 0 0 "[ . 1 . 2]" 1
1537 1 82 ARG HD2 1 97 VAL QG . . 5.080 4.325 2.016 5.342 0.262 3 0 "[ . 1 . 2]" 1
1538 1 82 ARG QG 1 97 VAL QG . . 4.610 3.148 2.657 3.925 . 0 0 "[ . 1 . 2]" 1
1539 1 83 VAL H 1 83 VAL HB . . 3.330 2.258 2.180 2.372 . 0 0 "[ . 1 . 2]" 1
1540 1 83 VAL H 1 83 VAL MG1 . . 4.230 3.700 3.633 3.747 . 0 0 "[ . 1 . 2]" 1
1541 1 83 VAL H 1 83 VAL MG2 . . 3.060 2.282 2.101 2.410 . 0 0 "[ . 1 . 2]" 1
1542 1 83 VAL HA 1 83 VAL MG1 . . 3.270 2.584 2.502 2.643 . 0 0 "[ . 1 . 2]" 1
1543 1 83 VAL HA 1 83 VAL MG2 . . 3.260 2.234 2.148 2.353 . 0 0 "[ . 1 . 2]" 1
1544 1 83 VAL HA 1 84 GLU H . . 3.430 3.502 3.471 3.513 0.083 17 0 "[ . 1 . 2]" 1
1545 1 83 VAL HA 1 84 GLU HB2 . . 4.890 4.631 4.319 5.032 0.142 13 0 "[ . 1 . 2]" 1
1546 1 83 VAL HA 1 85 THR H . . 4.260 4.189 3.961 4.340 0.080 12 0 "[ . 1 . 2]" 1
1547 1 83 VAL HA 1 92 PHE QD . . 4.470 4.104 3.813 4.486 0.016 12 0 "[ . 1 . 2]" 1
1548 1 83 VAL HA 1 92 PHE QE . . 5.210 5.280 5.118 5.309 0.099 2 0 "[ . 1 . 2]" 1
1549 1 83 VAL HA 1 94 ILE HA . . 3.430 2.500 2.270 2.836 . 0 0 "[ . 1 . 2]" 1
1550 1 83 VAL HA 1 94 ILE HB . . 4.580 4.350 4.065 4.625 0.045 19 0 "[ . 1 . 2]" 1
1551 1 83 VAL HA 1 94 ILE MG . . 3.440 2.333 2.149 2.585 . 0 0 "[ . 1 . 2]" 1
1552 1 83 VAL HA 1 95 ARG H . . 4.440 3.869 3.612 4.090 . 0 0 "[ . 1 . 2]" 1
1553 1 83 VAL MG1 1 84 GLU H . . 4.090 3.387 3.139 3.608 . 0 0 "[ . 1 . 2]" 1
1554 1 83 VAL MG1 1 84 GLU HA . . 5.170 4.506 4.133 4.738 . 0 0 "[ . 1 . 2]" 1
1555 1 83 VAL MG1 1 84 GLU HB3 . . 5.500 4.398 4.203 4.640 . 0 0 "[ . 1 . 2]" 1
1556 1 83 VAL MG1 1 85 THR H . . 3.730 2.616 2.211 2.967 . 0 0 "[ . 1 . 2]" 1
1557 1 83 VAL MG1 1 85 THR HA . . 5.500 3.571 3.355 4.121 . 0 0 "[ . 1 . 2]" 1
1558 1 83 VAL MG1 1 85 THR MG . . 5.370 4.541 4.383 5.108 . 0 0 "[ . 1 . 2]" 1
1559 1 83 VAL MG1 1 86 LEU H . . 3.540 3.287 2.763 3.616 0.076 4 0 "[ . 1 . 2]" 1
1560 1 83 VAL MG1 1 86 LEU HA . . 4.180 2.833 2.290 3.178 . 0 0 "[ . 1 . 2]" 1
1561 1 83 VAL MG1 1 86 LEU HB3 . . 3.780 3.788 3.566 3.872 0.092 7 0 "[ . 1 . 2]" 1
1562 1 83 VAL MG1 1 92 PHE HB3 . . 3.850 3.498 3.305 3.922 0.072 12 0 "[ . 1 . 2]" 1
1563 1 83 VAL MG1 1 92 PHE QD . . 3.910 3.266 2.958 3.522 . 0 0 "[ . 1 . 2]" 1
1564 1 83 VAL MG1 1 93 ALA H . . 4.410 3.196 2.902 3.836 . 0 0 "[ . 1 . 2]" 1
1565 1 83 VAL MG1 1 93 ALA MB . . 5.500 3.683 3.362 3.989 . 0 0 "[ . 1 . 2]" 1
1566 1 83 VAL MG2 1 84 GLU H . . 4.280 4.146 4.033 4.281 0.001 12 0 "[ . 1 . 2]" 1
1567 1 83 VAL MG2 1 92 PHE QD . . 3.850 3.483 2.949 3.941 0.091 12 0 "[ . 1 . 2]" 1
1568 1 83 VAL MG2 1 93 ALA H . . 5.500 5.067 4.715 5.580 0.080 1 0 "[ . 1 . 2]" 1
1569 1 83 VAL MG2 1 94 ILE HA . . 4.700 4.236 3.927 4.577 . 0 0 "[ . 1 . 2]" 1
1570 1 84 GLU H 1 84 GLU HB2 . . 3.800 3.206 3.083 3.306 . 0 0 "[ . 1 . 2]" 1
1571 1 84 GLU H 1 84 GLU HB3 . . 3.690 3.839 3.617 3.885 0.195 20 0 "[ . 1 . 2]" 1
1572 1 84 GLU H 1 84 GLU HG2 . . 5.360 4.595 4.154 5.357 . 0 0 "[ . 1 . 2]" 1
1573 1 84 GLU H 1 85 THR H . . 3.790 3.651 3.500 3.804 0.014 19 0 "[ . 1 . 2]" 1
1574 1 84 GLU H 1 94 ILE HA . . 4.400 4.440 4.303 4.491 0.091 15 0 "[ . 1 . 2]" 1
1575 1 84 GLU H 1 95 ARG H . . 4.430 4.251 3.827 4.509 0.079 1 0 "[ . 1 . 2]" 1
1576 1 84 GLU HA 1 84 GLU HG2 . . 3.270 2.682 2.186 3.733 0.463 18 0 "[ . 1 . 2]" 1
1577 1 84 GLU HA 1 84 GLU HG3 . . 3.640 3.282 2.466 3.639 . 0 0 "[ . 1 . 2]" 1
1578 1 84 GLU HB2 1 85 THR H . . 4.290 3.613 3.392 3.825 . 0 0 "[ . 1 . 2]" 1
1579 1 84 GLU HB2 1 93 ALA MB . . 4.600 3.725 3.143 4.690 0.090 18 0 "[ . 1 . 2]" 1
1580 1 84 GLU HB2 1 95 ARG H . . 4.590 2.877 2.349 3.492 . 0 0 "[ . 1 . 2]" 1
1581 1 84 GLU HB3 1 85 THR H . . 3.750 2.389 2.220 2.654 . 0 0 "[ . 1 . 2]" 1
1582 1 84 GLU HB3 1 93 ALA MB . . 3.960 2.502 2.083 3.170 . 0 0 "[ . 1 . 2]" 1
1583 1 84 GLU HB3 1 94 ILE HA . . 4.590 3.972 3.523 4.486 . 0 0 "[ . 1 . 2]" 1
1584 1 84 GLU HG2 1 85 THR H . . 4.920 4.606 3.985 4.924 0.004 8 0 "[ . 1 . 2]" 1
1585 1 84 GLU HG3 1 85 THR H . . 4.880 4.621 3.431 4.940 0.060 3 0 "[ . 1 . 2]" 1
1586 1 84 GLU HG3 1 93 ALA MB . . 5.440 4.314 3.603 5.022 . 0 0 "[ . 1 . 2]" 1
1587 1 85 THR H 1 85 THR HB . . 4.120 2.864 2.715 2.996 . 0 0 "[ . 1 . 2]" 1
1588 1 85 THR H 1 85 THR MG . . 3.980 3.951 3.845 4.043 0.063 8 0 "[ . 1 . 2]" 1
1589 1 85 THR H 1 86 LEU H . . 4.680 4.070 3.734 4.320 . 0 0 "[ . 1 . 2]" 1
1590 1 85 THR H 1 86 LEU QD . . 5.260 5.015 4.850 5.158 . 0 0 "[ . 1 . 2]" 1
1591 1 85 THR H 1 93 ALA H . . 3.840 3.449 3.203 3.722 . 0 0 "[ . 1 . 2]" 1
1592 1 85 THR H 1 93 ALA MB . . 3.540 2.294 1.992 2.667 . 0 0 "[ . 1 . 2]" 1
1593 1 85 THR H 1 94 ILE HA . . 4.740 4.453 4.147 4.618 . 0 0 "[ . 1 . 2]" 1
1594 1 85 THR H 1 94 ILE MG . . 5.350 5.382 5.238 5.450 0.100 14 0 "[ . 1 . 2]" 1
1595 1 85 THR HA 1 85 THR MG . . 3.110 2.431 2.325 2.573 . 0 0 "[ . 1 . 2]" 1
1596 1 85 THR HA 1 86 LEU H . . 2.870 2.211 2.152 2.287 . 0 0 "[ . 1 . 2]" 1
1597 1 85 THR HA 1 86 LEU HB2 . . 4.890 4.471 4.215 4.641 . 0 0 "[ . 1 . 2]" 1
1598 1 85 THR HA 1 86 LEU HB3 . . 4.820 4.863 4.717 4.898 0.078 6 0 "[ . 1 . 2]" 1
1599 1 85 THR HA 1 93 ALA MB . . 5.080 4.358 4.075 4.537 . 0 0 "[ . 1 . 2]" 1
1600 1 85 THR HB 1 93 ALA H . . 4.580 3.807 3.369 4.340 . 0 0 "[ . 1 . 2]" 1
1601 1 85 THR HB 1 93 ALA MB . . 4.000 2.476 1.989 2.971 . 0 0 "[ . 1 . 2]" 1
1602 1 85 THR MG 1 86 LEU H . . 3.310 2.894 2.533 3.379 0.069 1 0 "[ . 1 . 2]" 1
1603 1 85 THR MG 1 87 ARG H . . 5.500 4.780 4.434 5.269 . 0 0 "[ . 1 . 2]" 1
1604 1 85 THR MG 1 87 ARG HB3 . . 5.170 4.951 4.443 5.246 0.076 8 0 "[ . 1 . 2]" 1
1605 1 85 THR MG 1 92 PHE HA . . 4.740 4.547 4.069 4.843 0.103 1 0 "[ . 1 . 2]" 1
1606 1 85 THR MG 1 93 ALA H . . 5.290 4.235 3.986 4.530 . 0 0 "[ . 1 . 2]" 1
1607 1 85 THR MG 1 93 ALA MB . . 3.900 3.598 3.261 3.811 . 0 0 "[ . 1 . 2]" 1
1608 1 86 LEU H 1 86 LEU HB2 . . 3.700 2.698 2.378 2.882 . 0 0 "[ . 1 . 2]" 1
1609 1 86 LEU H 1 86 LEU HB3 . . 3.310 2.723 2.583 2.828 . 0 0 "[ . 1 . 2]" 1
1610 1 86 LEU H 1 86 LEU QD . . 4.300 3.845 3.701 3.940 . 0 0 "[ . 1 . 2]" 1
1611 1 86 LEU H 1 87 ARG H . . 4.750 4.530 4.378 4.712 . 0 0 "[ . 1 . 2]" 1
1612 1 86 LEU H 1 92 PHE HB2 . . 4.990 4.981 4.827 5.061 0.071 10 0 "[ . 1 . 2]" 1
1613 1 86 LEU H 1 92 PHE HB3 . . 5.500 5.201 4.997 5.392 . 0 0 "[ . 1 . 2]" 1
1614 1 86 LEU H 1 93 ALA H . . 4.900 4.887 4.585 4.967 0.067 12 0 "[ . 1 . 2]" 1
1615 1 86 LEU HA 1 86 LEU QD . . 3.500 2.362 2.053 2.544 . 0 0 "[ . 1 . 2]" 1
1616 1 86 LEU HA 1 86 LEU HG . . 3.480 2.607 2.403 3.572 0.092 18 0 "[ . 1 . 2]" 1
1617 1 86 LEU HA 1 87 ARG H . . 2.910 2.412 2.208 2.596 . 0 0 "[ . 1 . 2]" 1
1618 1 86 LEU HA 1 92 PHE HB2 . . 3.790 2.349 2.103 2.493 . 0 0 "[ . 1 . 2]" 1
1619 1 86 LEU HA 1 92 PHE HB3 . . 3.730 2.259 2.087 2.488 . 0 0 "[ . 1 . 2]" 1
1620 1 86 LEU HB2 1 87 ARG H . . 4.090 4.145 4.071 4.178 0.088 10 0 "[ . 1 . 2]" 1
1621 1 86 LEU HB2 1 92 PHE HB2 . . 4.780 4.143 3.975 4.260 . 0 0 "[ . 1 . 2]" 1
1622 1 86 LEU HB2 1 92 PHE QD . . 5.270 5.334 5.231 5.384 0.114 5 0 "[ . 1 . 2]" 1
1623 1 86 LEU HB3 1 86 LEU QD . . 3.060 2.233 2.156 2.336 . 0 0 "[ . 1 . 2]" 1
1624 1 86 LEU HB3 1 87 ARG H . . 4.090 3.570 3.429 3.786 . 0 0 "[ . 1 . 2]" 1
1625 1 86 LEU HB3 1 87 ARG HA . . 4.580 4.327 3.389 4.620 0.040 10 0 "[ . 1 . 2]" 1
1626 1 86 LEU HB3 1 92 PHE HB2 . . 5.090 5.089 5.003 5.151 0.061 20 0 "[ . 1 . 2]" 1
1627 1 86 LEU QD 1 87 ARG H . . 4.080 2.995 1.998 3.194 . 0 0 "[ . 1 . 2]" 1
1628 1 86 LEU QD 1 87 ARG HA . . 4.550 4.279 2.922 4.467 . 0 0 "[ . 1 . 2]" 1
1629 1 86 LEU QD 1 88 ASP H . . 5.180 3.477 2.368 3.852 . 0 0 "[ . 1 . 2]" 1
1630 1 86 LEU QD 1 88 ASP HB3 . . 5.500 5.132 4.524 5.331 . 0 0 "[ . 1 . 2]" 1
1631 1 86 LEU QD 1 92 PHE HA . . 5.240 3.879 3.676 4.016 . 0 0 "[ . 1 . 2]" 1
1632 1 86 LEU QD 1 92 PHE HB2 . . 3.660 2.277 2.203 2.392 . 0 0 "[ . 1 . 2]" 1
1633 1 86 LEU QD 1 92 PHE HB3 . . 3.840 2.184 2.074 2.339 . 0 0 "[ . 1 . 2]" 1
1634 1 86 LEU QD 1 92 PHE QD . . 3.120 2.630 2.406 2.746 . 0 0 "[ . 1 . 2]" 1
1635 1 86 LEU HG 1 87 ARG H . . 4.550 2.210 1.914 4.121 . 0 0 "[ . 1 . 2]" 1
1636 1 86 LEU HG 1 87 ARG HA . . 4.700 4.482 4.267 4.811 0.111 5 0 "[ . 1 . 2]" 1
1637 1 86 LEU HG 1 88 ASP H . . 5.250 3.243 2.763 5.290 0.040 18 0 "[ . 1 . 2]" 1
1638 1 86 LEU HG 1 88 ASP HA . . 5.380 4.707 4.252 5.472 0.092 18 0 "[ . 1 . 2]" 1
1639 1 86 LEU HG 1 92 PHE HB2 . . 4.470 3.822 3.490 5.109 0.639 5 1 "[ + 1 . 2]" 1
1640 1 86 LEU HG 1 92 PHE HB3 . . 5.110 2.594 2.237 4.314 . 0 0 "[ . 1 . 2]" 1
1641 1 87 ARG H 1 87 ARG HB2 . . 3.880 3.283 2.989 3.525 . 0 0 "[ . 1 . 2]" 1
1642 1 87 ARG H 1 87 ARG HB3 . . 3.620 2.666 2.500 2.828 . 0 0 "[ . 1 . 2]" 1
1643 1 87 ARG H 1 87 ARG HD2 . . 5.340 5.407 5.097 5.899 0.559 20 2 "[ . 1 . - +]" 1
1644 1 87 ARG H 1 87 ARG HG3 . . 5.220 4.716 4.523 4.869 . 0 0 "[ . 1 . 2]" 1
1645 1 87 ARG H 1 88 ASP H . . 3.220 2.067 1.820 2.323 . 0 0 "[ . 1 . 2]" 1
1646 1 87 ARG H 1 91 GLN H . . 4.990 4.356 4.022 5.052 0.062 12 0 "[ . 1 . 2]" 1
1647 1 87 ARG H 1 92 PHE HA . . 3.770 2.876 2.546 3.137 . 0 0 "[ . 1 . 2]" 1
1648 1 87 ARG H 1 92 PHE HB2 . . 4.210 3.780 3.363 4.041 . 0 0 "[ . 1 . 2]" 1
1649 1 87 ARG H 1 92 PHE HB3 . . 3.520 2.455 1.983 2.706 . 0 0 "[ . 1 . 2]" 1
1650 1 87 ARG H 1 92 PHE QD . . 5.500 3.909 3.448 4.108 . 0 0 "[ . 1 . 2]" 1
1651 1 87 ARG HA 1 87 ARG HD2 . . 4.590 4.384 3.992 4.850 0.260 18 0 "[ . 1 . 2]" 1
1652 1 87 ARG HA 1 87 ARG HD3 . . 4.920 4.758 4.552 4.997 0.077 5 0 "[ . 1 . 2]" 1
1653 1 87 ARG HA 1 87 ARG HG2 . . 3.530 3.353 2.835 3.818 0.288 5 0 "[ . 1 . 2]" 1
1654 1 87 ARG HA 1 87 ARG HG3 . . 3.890 2.697 2.507 3.123 . 0 0 "[ . 1 . 2]" 1
1655 1 87 ARG HB2 1 88 ASP H . . 4.050 3.992 3.709 4.125 0.075 18 0 "[ . 1 . 2]" 1
1656 1 87 ARG HB3 1 87 ARG HD3 . . 4.170 2.791 2.124 3.850 . 0 0 "[ . 1 . 2]" 1
1657 1 87 ARG HB3 1 88 ASP H . . 3.440 2.692 2.235 2.908 . 0 0 "[ . 1 . 2]" 1
1658 1 87 ARG HD2 1 91 GLN HB3 . . 5.240 4.342 3.384 5.291 0.051 18 0 "[ . 1 . 2]" 1
1659 1 87 ARG HD2 1 91 GLN HE22 . . 5.500 5.067 4.310 6.078 0.578 3 1 "[ + . 1 . 2]" 1
1660 1 87 ARG HD3 1 91 GLN HE21 . . 5.500 3.763 2.617 4.505 . 0 0 "[ . 1 . 2]" 1
1661 1 87 ARG HD3 1 91 GLN HE22 . . 5.440 4.014 3.034 5.313 . 0 0 "[ . 1 . 2]" 1
1662 1 87 ARG HG2 1 88 ASP H . . 4.580 3.503 2.851 4.108 . 0 0 "[ . 1 . 2]" 1
1663 1 87 ARG HG2 1 88 ASP HB2 . . 5.200 3.967 2.954 4.783 . 0 0 "[ . 1 . 2]" 1
1664 1 87 ARG HG3 1 88 ASP H . . 5.170 4.451 3.942 4.973 . 0 0 "[ . 1 . 2]" 1
1665 1 88 ASP H 1 89 ASP H . . 4.700 4.315 4.237 4.441 . 0 0 "[ . 1 . 2]" 1
1666 1 88 ASP H 1 90 ARG H . . 4.850 3.772 3.490 4.311 . 0 0 "[ . 1 . 2]" 1
1667 1 88 ASP H 1 91 GLN H . . 3.780 2.803 2.604 3.279 . 0 0 "[ . 1 . 2]" 1
1668 1 88 ASP H 1 91 GLN HA . . 5.050 4.738 4.603 4.895 . 0 0 "[ . 1 . 2]" 1
1669 1 88 ASP H 1 91 GLN HB3 . . 4.720 4.434 4.165 4.727 0.007 4 0 "[ . 1 . 2]" 1
1670 1 88 ASP H 1 91 GLN HG3 . . 5.300 5.000 4.593 5.305 0.005 19 0 "[ . 1 . 2]" 1
1671 1 88 ASP H 1 92 PHE HB2 . . 5.340 5.205 4.957 5.408 0.068 13 0 "[ . 1 . 2]" 1
1672 1 88 ASP H 1 92 PHE QD . . 4.530 3.774 3.427 4.085 . 0 0 "[ . 1 . 2]" 1
1673 1 88 ASP HA 1 89 ASP H . . 3.300 2.514 2.378 2.684 . 0 0 "[ . 1 . 2]" 1
1674 1 88 ASP HA 1 90 ARG H . . 4.070 3.949 3.751 4.140 0.070 3 0 "[ . 1 . 2]" 1
1675 1 88 ASP HB2 1 89 ASP H . . 3.430 3.458 3.072 3.519 0.089 13 0 "[ . 1 . 2]" 1
1676 1 88 ASP HB2 1 90 ARG H . . 4.750 2.462 2.001 3.009 . 0 0 "[ . 1 . 2]" 1
1677 1 88 ASP HB2 1 91 GLN H . . 5.500 2.256 1.644 3.120 . 0 0 "[ . 1 . 2]" 1
1678 1 88 ASP HB3 1 89 ASP H . . 3.080 2.250 2.061 2.500 . 0 0 "[ . 1 . 2]" 1
1679 1 88 ASP HB3 1 90 ARG H . . 4.630 2.554 1.980 3.176 . 0 0 "[ . 1 . 2]" 1
1680 1 89 ASP H 1 89 ASP HB2 . . 3.700 2.426 2.136 3.539 . 0 0 "[ . 1 . 2]" 1
1681 1 89 ASP H 1 89 ASP HB3 . . 3.470 3.502 2.560 3.663 0.193 12 0 "[ . 1 . 2]" 1
1682 1 89 ASP H 1 90 ARG H . . 3.560 2.767 2.459 3.066 . 0 0 "[ . 1 . 2]" 1
1683 1 89 ASP H 1 90 ARG HG2 . . 5.300 3.949 3.290 4.833 . 0 0 "[ . 1 . 2]" 1
1684 1 89 ASP HB2 1 90 ARG H . . 4.300 3.561 3.073 4.068 . 0 0 "[ . 1 . 2]" 1
1685 1 89 ASP HB2 1 90 ARG HG2 . . 5.500 3.992 2.498 4.915 . 0 0 "[ . 1 . 2]" 1
1686 1 89 ASP HB3 1 90 ARG H . . 4.570 4.105 3.762 4.452 . 0 0 "[ . 1 . 2]" 1
1687 1 89 ASP HB3 1 90 ARG HA . . 4.970 4.773 4.487 5.763 0.793 3 1 "[ + . 1 . 2]" 1
1688 1 89 ASP HB3 1 90 ARG HG2 . . 5.230 4.903 3.704 5.461 0.231 10 0 "[ . 1 . 2]" 1
1689 1 90 ARG H 1 90 ARG HB2 . . 4.140 3.828 3.716 3.988 . 0 0 "[ . 1 . 2]" 1
1690 1 90 ARG H 1 90 ARG HB3 . . 3.670 3.310 3.131 3.582 . 0 0 "[ . 1 . 2]" 1
1691 1 90 ARG H 1 90 ARG HD3 . . 4.980 4.836 4.408 5.050 0.070 13 0 "[ . 1 . 2]" 1
1692 1 90 ARG H 1 90 ARG HG2 . . 4.210 2.524 2.161 2.998 . 0 0 "[ . 1 . 2]" 1
1693 1 90 ARG H 1 90 ARG HG3 . . 4.520 2.829 2.478 3.162 . 0 0 "[ . 1 . 2]" 1
1694 1 90 ARG H 1 91 GLN H . . 2.940 2.094 1.817 2.514 . 0 0 "[ . 1 . 2]" 1
1695 1 90 ARG H 1 91 GLN HA . . 5.450 4.770 4.495 5.133 . 0 0 "[ . 1 . 2]" 1
1696 1 90 ARG H 1 91 GLN HG2 . . 5.400 5.379 4.857 5.479 0.079 18 0 "[ . 1 . 2]" 1
1697 1 90 ARG H 1 92 PHE QD . . 5.440 3.916 2.925 4.508 . 0 0 "[ . 1 . 2]" 1
1698 1 90 ARG HA 1 90 ARG HD3 . . 4.610 4.614 4.426 4.934 0.324 12 0 "[ . 1 . 2]" 1
1699 1 90 ARG HA 1 90 ARG HG2 . . 3.790 3.800 3.679 3.881 0.091 20 0 "[ . 1 . 2]" 1
1700 1 90 ARG HA 1 90 ARG HG3 . . 3.960 3.777 3.595 3.958 . 0 0 "[ . 1 . 2]" 1
1701 1 90 ARG HA 1 92 PHE QD . . 4.550 3.962 3.365 4.608 0.058 5 0 "[ . 1 . 2]" 1
1702 1 90 ARG HA 1 92 PHE QE . . 4.070 2.920 2.415 3.650 . 0 0 "[ . 1 . 2]" 1
1703 1 90 ARG HB2 1 90 ARG HD3 . . 4.190 2.551 2.145 3.343 . 0 0 "[ . 1 . 2]" 1
1704 1 90 ARG HB3 1 90 ARG HD3 . . 4.140 2.710 2.209 3.403 . 0 0 "[ . 1 . 2]" 1
1705 1 90 ARG HB3 1 91 GLN H . . 4.920 4.488 4.089 4.713 . 0 0 "[ . 1 . 2]" 1
1706 1 90 ARG HG3 1 91 GLN HB2 . . 4.510 3.913 3.535 4.293 . 0 0 "[ . 1 . 2]" 1
1707 1 90 ARG HG3 1 91 GLN HG3 . . 4.220 2.263 2.040 2.616 . 0 0 "[ . 1 . 2]" 1
1708 1 91 GLN H 1 91 GLN HB2 . . 4.010 2.682 2.520 2.789 . 0 0 "[ . 1 . 2]" 1
1709 1 91 GLN H 1 91 GLN HB3 . . 3.710 3.760 3.618 3.809 0.099 8 0 "[ . 1 . 2]" 1
1710 1 91 GLN H 1 91 GLN HG2 . . 4.130 3.962 3.334 4.213 0.083 17 0 "[ . 1 . 2]" 1
1711 1 91 GLN H 1 91 GLN HG3 . . 3.520 3.117 2.385 3.577 0.057 8 0 "[ . 1 . 2]" 1
1712 1 91 GLN H 1 92 PHE QD . . 4.460 3.090 2.703 3.964 . 0 0 "[ . 1 . 2]" 1
1713 1 91 GLN HA 1 91 GLN HE21 . . 5.500 4.404 3.652 5.144 . 0 0 "[ . 1 . 2]" 1
1714 1 91 GLN HA 1 91 GLN HG2 . . 4.150 2.571 2.396 2.753 . 0 0 "[ . 1 . 2]" 1
1715 1 91 GLN HA 1 91 GLN HG3 . . 3.870 3.251 2.834 3.477 . 0 0 "[ . 1 . 2]" 1
1716 1 91 GLN HA 1 92 PHE H . . 2.950 2.151 2.060 2.238 . 0 0 "[ . 1 . 2]" 1
1717 1 91 GLN HA 1 92 PHE QD . . 4.060 3.934 3.572 4.152 0.092 14 0 "[ . 1 . 2]" 1
1718 1 91 GLN HB2 1 92 PHE H . . 4.060 4.130 4.065 4.156 0.096 20 0 "[ . 1 . 2]" 1
1719 1 91 GLN HB3 1 91 GLN HE22 . . 5.210 3.806 3.463 4.290 . 0 0 "[ . 1 . 2]" 1
1720 1 91 GLN HB3 1 92 PHE H . . 3.980 3.251 3.058 3.525 . 0 0 "[ . 1 . 2]" 1
1721 1 91 GLN HG2 1 92 PHE H . . 5.050 4.469 4.187 4.705 . 0 0 "[ . 1 . 2]" 1
1722 1 92 PHE H 1 92 PHE QD . . 4.200 3.514 3.366 3.576 . 0 0 "[ . 1 . 2]" 1
1723 1 92 PHE H 1 92 PHE QE . . 4.730 4.666 4.441 4.818 0.088 12 0 "[ . 1 . 2]" 1
1724 1 92 PHE H 1 93 ALA H . . 4.800 4.368 4.264 4.507 . 0 0 "[ . 1 . 2]" 1
1725 1 92 PHE HA 1 92 PHE QD . . 3.950 3.770 3.730 3.798 . 0 0 "[ . 1 . 2]" 1
1726 1 92 PHE HA 1 93 ALA H . . 3.040 2.425 2.252 2.582 . 0 0 "[ . 1 . 2]" 1
1727 1 92 PHE HA 1 93 ALA MB . . 4.280 3.973 3.838 4.078 . 0 0 "[ . 1 . 2]" 1
1728 1 92 PHE HB2 1 93 ALA H . . 3.580 2.336 2.068 2.532 . 0 0 "[ . 1 . 2]" 1
1729 1 92 PHE HB3 1 93 ALA H . . 3.560 3.559 3.426 3.628 0.068 4 0 "[ . 1 . 2]" 1
1730 1 92 PHE QD 1 93 ALA H . . 3.750 3.599 3.253 3.805 0.055 15 0 "[ . 1 . 2]" 1
1731 1 92 PHE QE 1 94 ILE HG12 . . 5.190 4.970 4.503 5.269 0.079 20 0 "[ . 1 . 2]" 1
1732 1 92 PHE QE 1 94 ILE MG . . 3.140 3.066 2.705 3.244 0.104 7 0 "[ . 1 . 2]" 1
1733 1 93 ALA H 1 93 ALA MB . . 3.230 2.286 2.163 2.362 . 0 0 "[ . 1 . 2]" 1
1734 1 93 ALA H 1 94 ILE H . . 5.060 4.514 4.463 4.573 . 0 0 "[ . 1 . 2]" 1
1735 1 93 ALA HA 1 94 ILE H . . 3.120 2.528 2.458 2.606 . 0 0 "[ . 1 . 2]" 1
1736 1 93 ALA HA 1 94 ILE HG12 . . 4.580 3.994 3.712 4.209 . 0 0 "[ . 1 . 2]" 1
1737 1 93 ALA MB 1 94 ILE H . . 3.510 2.333 2.196 2.458 . 0 0 "[ . 1 . 2]" 1
1738 1 93 ALA MB 1 94 ILE MG . . 5.500 4.343 4.245 4.431 . 0 0 "[ . 1 . 2]" 1
1739 1 94 ILE H 1 94 ILE HB . . 3.760 3.829 3.798 3.842 0.082 20 0 "[ . 1 . 2]" 1
1740 1 94 ILE H 1 94 ILE MD . . 4.450 4.214 4.161 4.274 . 0 0 "[ . 1 . 2]" 1
1741 1 94 ILE H 1 94 ILE HG12 . . 4.000 2.850 2.708 3.117 . 0 0 "[ . 1 . 2]" 1
1742 1 94 ILE H 1 94 ILE HG13 . . 3.890 2.856 2.622 3.009 . 0 0 "[ . 1 . 2]" 1
1743 1 94 ILE H 1 94 ILE MG . . 4.150 3.570 3.457 3.756 . 0 0 "[ . 1 . 2]" 1
1744 1 94 ILE HA 1 94 ILE MD . . 4.180 4.233 4.187 4.254 0.074 3 0 "[ . 1 . 2]" 1
1745 1 94 ILE HA 1 94 ILE MG . . 3.310 2.189 2.115 2.254 . 0 0 "[ . 1 . 2]" 1
1746 1 94 ILE HA 1 95 ARG H . . 3.140 2.200 2.082 2.363 . 0 0 "[ . 1 . 2]" 1
1747 1 94 ILE HB 1 94 ILE MD . . 3.530 2.363 2.284 2.440 . 0 0 "[ . 1 . 2]" 1
1748 1 94 ILE HB 1 95 ARG H . . 3.660 2.978 2.600 3.273 . 0 0 "[ . 1 . 2]" 1
1749 1 94 ILE MD 1 94 ILE MG . . 2.650 2.127 2.097 2.174 . 0 0 "[ . 1 . 2]" 1
1750 1 94 ILE MD 1 96 LEU HA . . 5.460 4.781 4.493 5.185 . 0 0 "[ . 1 . 2]" 1
1751 1 94 ILE MD 1 96 LEU QD . . 3.610 2.207 2.057 2.443 . 0 0 "[ . 1 . 2]" 1
1752 1 94 ILE MD 1 96 LEU HG . . 4.730 4.219 3.659 4.639 . 0 0 "[ . 1 . 2]" 1
1753 1 94 ILE HG12 1 96 LEU QD . . 5.500 4.207 3.758 4.782 . 0 0 "[ . 1 . 2]" 1
1754 1 94 ILE HG13 1 94 ILE MG . . 3.530 3.253 3.236 3.279 . 0 0 "[ . 1 . 2]" 1
1755 1 94 ILE MG 1 95 ARG H . . 3.540 3.524 3.272 3.616 0.076 9 0 "[ . 1 . 2]" 1
1756 1 94 ILE MG 1 96 LEU QD . . 4.080 3.903 3.743 4.129 0.049 1 0 "[ . 1 . 2]" 1
1757 1 95 ARG H 1 95 ARG HB2 . . 3.590 2.820 2.267 3.682 0.092 7 0 "[ . 1 . 2]" 1
1758 1 95 ARG H 1 95 ARG HB3 . . 4.040 2.724 2.378 3.254 . 0 0 "[ . 1 . 2]" 1
1759 1 95 ARG H 1 95 ARG HG2 . . 4.940 4.537 3.783 4.813 . 0 0 "[ . 1 . 2]" 1
1760 1 95 ARG H 1 95 ARG HG3 . . 4.980 4.482 2.804 4.828 . 0 0 "[ . 1 . 2]" 1
1761 1 95 ARG H 1 96 LEU QD . . 5.500 4.271 3.858 4.523 . 0 0 "[ . 1 . 2]" 1
1762 1 95 ARG H 1 97 VAL QG . . 5.250 4.815 4.581 5.022 . 0 0 "[ . 1 . 2]" 1
1763 1 95 ARG HA 1 95 ARG QD . . 2.960 2.650 2.207 3.066 0.106 7 0 "[ . 1 . 2]" 1
1764 1 95 ARG HA 1 95 ARG HG3 . . 3.450 3.223 2.369 3.834 0.384 3 0 "[ . 1 . 2]" 1
1765 1 95 ARG HA 1 96 LEU H . . 3.250 2.130 2.027 2.328 . 0 0 "[ . 1 . 2]" 1
1766 1 95 ARG HA 1 96 LEU QB . . 4.700 4.391 4.011 4.703 0.003 16 0 "[ . 1 . 2]" 1
1767 1 95 ARG HA 1 96 LEU QD . . 4.070 3.744 3.035 4.024 . 0 0 "[ . 1 . 2]" 1
1768 1 95 ARG HB2 1 95 ARG HE . . 4.550 3.933 2.498 5.128 0.578 14 1 "[ . 1 +. 2]" 1
1769 1 95 ARG HB2 1 97 VAL QG . . 5.500 4.520 4.030 5.154 . 0 0 "[ . 1 . 2]" 1
1770 1 95 ARG HB3 1 97 VAL QG . . 5.500 3.391 2.682 4.952 . 0 0 "[ . 1 . 2]" 1
1771 1 95 ARG HG2 1 97 VAL QG . . 4.210 3.733 2.095 5.022 0.812 12 4 "[ - * 1 + .* 2]" 1
1772 1 95 ARG HG3 1 96 LEU H . . 5.050 3.917 2.341 5.371 0.321 16 0 "[ . 1 . 2]" 1
1773 1 95 ARG HG3 1 97 VAL QG . . 5.240 3.397 2.416 4.255 . 0 0 "[ . 1 . 2]" 1
1774 1 96 LEU H 1 96 LEU QB . . 3.400 2.459 2.034 2.648 . 0 0 "[ . 1 . 2]" 1
1775 1 96 LEU H 1 96 LEU QD . . 3.940 2.736 1.990 3.352 . 0 0 "[ . 1 . 2]" 1
1776 1 96 LEU H 1 97 VAL H . . 4.570 4.589 4.433 4.647 0.077 12 0 "[ . 1 . 2]" 1
1777 1 96 LEU HA 1 96 LEU QD . . 3.150 2.200 2.082 2.323 . 0 0 "[ . 1 . 2]" 1
1778 1 96 LEU HA 1 97 VAL H . . 3.000 2.291 2.213 2.364 . 0 0 "[ . 1 . 2]" 1
1779 1 96 LEU HA 1 97 VAL QG . . 4.110 3.367 3.232 3.580 . 0 0 "[ . 1 . 2]" 1
1780 1 96 LEU QB 1 97 VAL H . . 4.310 3.085 2.708 3.336 . 0 0 "[ . 1 . 2]" 1
1781 1 96 LEU QD 1 97 VAL H . . 3.980 3.816 3.509 3.938 . 0 0 "[ . 1 . 2]" 1
1782 1 96 LEU QD 1 97 VAL QG . . 5.500 4.247 4.100 4.426 . 0 0 "[ . 1 . 2]" 1
1783 1 96 LEU HG 1 97 VAL H . . 5.500 5.165 3.802 5.560 0.060 15 0 "[ . 1 . 2]" 1
1784 1 97 VAL H 1 97 VAL HB . . 3.730 3.801 3.744 3.816 0.086 8 0 "[ . 1 . 2]" 1
1785 1 97 VAL H 1 97 VAL QG . . 3.280 2.278 2.135 2.418 . 0 0 "[ . 1 . 2]" 1
1786 1 97 VAL H 1 98 GLY H . . 4.570 4.422 4.327 4.530 . 0 0 "[ . 1 . 2]" 1
1787 1 97 VAL HA 1 98 GLY H . . 2.950 2.302 2.096 2.524 . 0 0 "[ . 1 . 2]" 1
1788 1 97 VAL HA 1 98 GLY QA . . 4.470 3.999 3.887 4.083 . 0 0 "[ . 1 . 2]" 1
1789 1 97 VAL HB 1 98 GLY H . . 3.580 2.644 2.272 3.135 . 0 0 "[ . 1 . 2]" 1
1790 1 97 VAL QG 1 98 GLY H . . 3.910 3.293 3.005 3.526 . 0 0 "[ . 1 . 2]" 1
1791 1 97 VAL QG 1 98 GLY QA . . 4.790 3.587 2.836 3.955 . 0 0 "[ . 1 . 2]" 1
1792 1 98 GLY H 1 99 ARG H . . 4.130 3.653 2.319 4.230 0.100 12 0 "[ . 1 . 2]" 1
1793 1 98 GLY QA 1 99 ARG H . . 3.120 2.363 1.956 2.917 . 0 0 "[ . 1 . 2]" 1
1794 1 98 GLY QA 1 99 ARG HB3 . . 4.360 4.233 3.714 4.738 0.378 19 0 "[ . 1 . 2]" 1
1795 1 99 ARG H 1 99 ARG HB2 . . 3.930 3.381 2.931 4.023 0.093 18 0 "[ . 1 . 2]" 1
1796 1 99 ARG H 1 99 ARG HB3 . . 3.500 3.373 2.815 3.866 0.366 10 0 "[ . 1 . 2]" 1
1797 1 99 ARG H 1 99 ARG QD . . 4.630 4.139 2.155 4.738 0.108 8 0 "[ . 1 . 2]" 1
1798 1 99 ARG H 1 100 VAL H . . 4.840 4.265 3.820 4.483 . 0 0 "[ . 1 . 2]" 1
1799 1 99 ARG HA 1 99 ARG QD . . 3.770 3.247 2.039 3.845 0.075 1 0 "[ . 1 . 2]" 1
1800 1 99 ARG HA 1 100 VAL H . . 2.870 2.297 2.063 2.492 . 0 0 "[ . 1 . 2]" 1
1801 1 99 ARG HA 1 100 VAL HA . . 4.460 4.449 4.326 4.517 0.057 7 0 "[ . 1 . 2]" 1
1802 1 99 ARG HA 1 100 VAL HB . . 4.910 4.740 4.445 4.954 0.044 13 0 "[ . 1 . 2]" 1
1803 1 99 ARG HA 1 100 VAL QG . . 4.200 3.408 3.195 3.860 . 0 0 "[ . 1 . 2]" 1
1804 1 99 ARG HB2 1 99 ARG QD . . 3.540 3.018 2.091 3.458 . 0 0 "[ . 1 . 2]" 1
1805 1 99 ARG HB2 1 100 VAL H . . 3.790 3.667 2.331 4.326 0.536 5 5 "[ * *+ * . -2]" 1
1806 1 99 ARG HB3 1 100 VAL H . . 4.260 3.770 3.175 4.091 . 0 0 "[ . 1 . 2]" 1
1807 1 99 ARG QD 1 100 VAL H . . 4.790 2.814 1.756 4.357 . 0 0 "[ . 1 . 2]" 1
1808 1 99 ARG QD 1 101 ARG H . . 5.500 4.652 3.341 5.602 0.102 1 0 "[ . 1 . 2]" 1
1809 1 99 ARG QG 1 100 VAL H . . 4.220 3.044 1.823 4.110 . 0 0 "[ . 1 . 2]" 1
1810 1 99 ARG QG 1 100 VAL HA . . 5.240 4.827 3.742 5.346 0.106 19 0 "[ . 1 . 2]" 1
1811 1 100 VAL H 1 100 VAL HB . . 3.260 2.786 2.346 3.231 . 0 0 "[ . 1 . 2]" 1
1812 1 100 VAL H 1 100 VAL QG . . 3.130 2.178 1.696 2.667 . 0 0 "[ . 1 . 2]" 1
1813 1 100 VAL HA 1 100 VAL QG . . 3.310 2.257 2.131 2.470 . 0 0 "[ . 1 . 2]" 1
1814 1 100 VAL HA 1 101 ARG H . . 2.880 2.308 2.163 2.487 . 0 0 "[ . 1 . 2]" 1
1815 1 100 VAL HA 1 101 ARG QB . . 5.000 4.387 3.386 4.846 . 0 0 "[ . 1 . 2]" 1
1816 1 100 VAL QG 1 101 ARG H . . 3.190 2.499 2.098 3.179 . 0 0 "[ . 1 . 2]" 1
1817 1 100 VAL QG 1 101 ARG HA . . 4.650 3.426 2.769 3.979 . 0 0 "[ . 1 . 2]" 1
1818 1 100 VAL QG 1 101 ARG QB . . 5.500 4.220 3.778 4.533 . 0 0 "[ . 1 . 2]" 1
1819 1 100 VAL QG 1 102 GLU H . . 5.500 4.339 2.594 4.972 . 0 0 "[ . 1 . 2]" 1
1820 1 100 VAL QG 1 102 GLU QG . . 5.080 4.678 3.793 5.086 0.006 3 0 "[ . 1 . 2]" 1
1821 1 100 VAL QG 1 103 LEU QD . . 5.500 3.853 3.237 4.536 . 0 0 "[ . 1 . 2]" 1
1822 1 101 ARG H 1 101 ARG QB . . 3.420 2.975 2.318 3.442 0.022 4 0 "[ . 1 . 2]" 1
1823 1 101 ARG H 1 101 ARG QG . . 4.060 3.192 2.419 4.158 0.098 14 0 "[ . 1 . 2]" 1
1824 1 101 ARG H 1 102 GLU H . . 5.150 4.166 2.630 4.531 . 0 0 "[ . 1 . 2]" 1
1825 1 101 ARG HA 1 102 GLU H . . 2.860 2.424 2.208 2.718 . 0 0 "[ . 1 . 2]" 1
1826 1 101 ARG QB 1 102 GLU H . . 3.940 3.031 1.967 4.023 0.083 19 0 "[ . 1 . 2]" 1
1827 1 101 ARG QB 1 103 LEU QD . . 4.160 3.185 1.992 4.093 . 0 0 "[ . 1 . 2]" 1
1828 1 101 ARG QD 1 102 GLU H . . 5.500 3.918 3.080 4.974 . 0 0 "[ . 1 . 2]" 1
1829 1 101 ARG QD 1 103 LEU QB . . 3.660 3.679 2.610 3.785 0.125 17 0 "[ . 1 . 2]" 1
1830 1 101 ARG QD 1 103 LEU QD . . 4.580 2.293 1.847 3.938 . 0 0 "[ . 1 . 2]" 1
1831 1 102 GLU H 1 102 GLU HB2 . . 3.540 2.838 2.215 3.942 0.402 19 0 "[ . 1 . 2]" 1
1832 1 102 GLU H 1 102 GLU HB3 . . 3.900 3.412 2.534 3.921 0.021 8 0 "[ . 1 . 2]" 1
1833 1 102 GLU H 1 102 GLU QG . . 3.880 2.473 1.686 3.225 . 0 0 "[ . 1 . 2]" 1
1834 1 102 GLU H 1 103 LEU H . . 5.440 4.253 3.185 4.581 . 0 0 "[ . 1 . 2]" 1
1835 1 102 GLU H 1 103 LEU QD . . 5.500 4.193 3.133 4.996 . 0 0 "[ . 1 . 2]" 1
1836 1 102 GLU HA 1 102 GLU QG . . 3.670 2.747 2.159 3.501 . 0 0 "[ . 1 . 2]" 1
1837 1 102 GLU HA 1 103 LEU H . . 3.000 2.267 2.172 2.458 . 0 0 "[ . 1 . 2]" 1
1838 1 102 GLU HA 1 103 LEU QB . . 4.860 4.687 4.263 4.951 0.091 10 0 "[ . 1 . 2]" 1
1839 1 102 GLU HA 1 104 GLN H . . 4.690 3.569 3.014 4.614 . 0 0 "[ . 1 . 2]" 1
1840 1 102 GLU HB2 1 103 LEU H . . 4.680 4.193 2.942 4.554 . 0 0 "[ . 1 . 2]" 1
1841 1 102 GLU HB3 1 103 LEU H . . 4.500 3.940 3.138 4.688 0.188 18 0 "[ . 1 . 2]" 1
1842 1 102 GLU HB3 1 103 LEU QD . . 5.430 5.202 4.301 5.905 0.475 17 0 "[ . 1 . 2]" 1
1843 1 102 GLU HB3 1 104 GLN H . . 5.010 4.021 3.107 5.339 0.329 19 0 "[ . 1 . 2]" 1
1844 1 102 GLU QG 1 103 LEU H . . 4.760 4.470 3.946 4.832 0.072 9 0 "[ . 1 . 2]" 1
1845 1 103 LEU H 1 103 LEU QB . . 3.210 2.799 2.152 3.314 0.104 2 0 "[ . 1 . 2]" 1
1846 1 103 LEU H 1 103 LEU QD . . 4.110 2.649 1.704 3.317 . 0 0 "[ . 1 . 2]" 1
1847 1 103 LEU H 1 103 LEU HG . . 3.820 2.840 1.931 3.906 0.086 16 0 "[ . 1 . 2]" 1
1848 1 103 LEU H 1 104 GLN H . . 3.810 2.373 1.845 3.233 . 0 0 "[ . 1 . 2]" 1
1849 1 103 LEU HA 1 103 LEU QD . . 2.970 2.707 2.043 3.126 0.156 13 0 "[ . 1 . 2]" 1
1850 1 103 LEU HA 1 104 GLN H . . 3.390 3.365 2.411 3.471 0.081 1 0 "[ . 1 . 2]" 1
1851 1 103 LEU QB 1 104 GLN H . . 3.850 3.412 2.673 3.883 0.033 20 0 "[ . 1 . 2]" 1
1852 1 103 LEU QB 1 104 GLN HB3 . . 5.130 5.348 4.513 5.956 0.826 20 6 "[ -. *1* * . *+]" 1
1853 1 103 LEU QB 1 104 GLN QG . . 4.740 3.386 2.624 4.645 . 0 0 "[ . 1 . 2]" 1
1854 1 103 LEU QD 1 104 GLN H . . 4.820 4.064 2.312 4.493 . 0 0 "[ . 1 . 2]" 1
1855 1 104 GLN H 1 104 GLN HB2 . . 4.000 2.840 2.457 3.830 . 0 0 "[ . 1 . 2]" 1
1856 1 104 GLN H 1 104 GLN QG . . 3.980 3.580 2.927 4.063 0.083 20 0 "[ . 1 . 2]" 1
1857 1 104 GLN H 1 105 ARG H . . 4.870 4.342 4.232 4.499 . 0 0 "[ . 1 . 2]" 1
1858 1 104 GLN HA 1 104 GLN QG . . 3.490 2.537 2.164 3.004 . 0 0 "[ . 1 . 2]" 1
1859 1 104 GLN HA 1 105 ARG H . . 3.080 2.384 2.175 2.589 . 0 0 "[ . 1 . 2]" 1
1860 1 104 GLN HB2 1 105 ARG H . . 4.170 3.927 3.251 4.232 0.062 1 0 "[ . 1 . 2]" 1
1861 1 104 GLN HB3 1 104 GLN QG . . 2.640 2.378 2.108 2.552 . 0 0 "[ . 1 . 2]" 1
1862 1 104 GLN HB3 1 105 ARG H . . 4.130 2.726 2.189 3.188 . 0 0 "[ . 1 . 2]" 1
1863 1 104 GLN HB3 1 105 ARG HA . . 5.500 4.337 3.987 4.710 . 0 0 "[ . 1 . 2]" 1
1864 1 104 GLN QG 1 105 ARG H . . 4.510 3.849 2.687 4.582 0.072 2 0 "[ . 1 . 2]" 1
1865 1 105 ARG H 1 105 ARG HB2 . . 3.840 2.832 2.300 4.101 0.261 4 0 "[ . 1 . 2]" 1
1866 1 105 ARG H 1 105 ARG HG3 . . 4.270 3.621 2.912 4.224 . 0 0 "[ . 1 . 2]" 1
1867 1 105 ARG HA 1 105 ARG QD . . 3.920 3.775 3.265 4.019 0.099 5 0 "[ . 1 . 2]" 1
1868 1 105 ARG HA 1 105 ARG HG3 . . 3.720 2.798 2.294 4.119 0.399 4 0 "[ . 1 . 2]" 1
1869 1 105 ARG HA 1 106 ARG H . . 3.360 2.566 2.131 3.441 0.081 10 0 "[ . 1 . 2]" 1
1870 1 105 ARG HB2 1 105 ARG QD . . 3.590 2.480 2.085 3.195 . 0 0 "[ . 1 . 2]" 1
1871 1 105 ARG HB3 1 105 ARG QD . . 3.390 2.891 2.200 3.619 0.229 14 0 "[ . 1 . 2]" 1
1872 1 105 ARG QD 1 106 ARG H . . 5.500 4.801 3.714 5.450 . 0 0 "[ . 1 . 2]" 1
1873 1 106 ARG H 1 106 ARG QB . . 3.490 2.557 2.115 3.319 . 0 0 "[ . 1 . 2]" 1
1874 1 106 ARG H 1 106 ARG QD . . 5.500 4.441 3.327 5.286 . 0 0 "[ . 1 . 2]" 1
1875 1 106 ARG H 1 106 ARG QG . . 4.070 3.486 2.335 4.138 0.068 12 0 "[ . 1 . 2]" 1
1876 1 106 ARG H 1 107 GLU H . . 4.850 3.874 2.177 4.608 . 0 0 "[ . 1 . 2]" 1
1877 1 106 ARG HA 1 106 ARG QD . . 4.190 3.844 2.670 4.221 0.031 3 0 "[ . 1 . 2]" 1
1878 1 106 ARG HA 1 106 ARG QG . . 3.550 2.440 2.146 3.507 . 0 0 "[ . 1 . 2]" 1
1879 1 106 ARG HA 1 107 GLU H . . 3.240 2.522 2.100 3.320 0.080 13 0 "[ . 1 . 2]" 1
1880 1 106 ARG HA 1 108 TYR H . . 4.850 4.361 3.235 4.928 0.078 7 0 "[ . 1 . 2]" 1
1881 1 106 ARG QB 1 106 ARG QD . . 3.340 2.192 2.049 2.343 . 0 0 "[ . 1 . 2]" 1
1882 1 106 ARG QB 1 107 GLU H . . 4.520 3.266 2.033 4.033 . 0 0 "[ . 1 . 2]" 1
1883 1 106 ARG QB 1 108 TYR H . . 5.160 3.904 2.058 5.219 0.059 7 0 "[ . 1 . 2]" 1
1884 1 106 ARG QG 1 107 GLU H . . 4.660 3.660 2.127 4.721 0.061 11 0 "[ . 1 . 2]" 1
1885 1 106 ARG QG 1 108 TYR H . . 5.390 4.667 2.605 5.465 0.075 13 0 "[ . 1 . 2]" 1
1886 1 107 GLU H 1 107 GLU HB2 . . 3.550 2.861 2.224 3.695 0.145 16 0 "[ . 1 . 2]" 1
1887 1 107 GLU H 1 107 GLU HB3 . . 4.140 3.239 2.514 4.041 . 0 0 "[ . 1 . 2]" 1
1888 1 107 GLU H 1 107 GLU HG2 . . 4.940 4.084 1.900 5.019 0.079 18 0 "[ . 1 . 2]" 1
1889 1 107 GLU H 1 108 TYR H . . 3.950 3.333 2.482 4.030 0.080 13 0 "[ . 1 . 2]" 1
1890 1 107 GLU HA 1 107 GLU HG2 . . 4.120 2.973 2.371 4.067 . 0 0 "[ . 1 . 2]" 1
1891 1 107 GLU HA 1 107 GLU HG3 . . 3.730 2.738 2.207 3.914 0.184 3 0 "[ . 1 . 2]" 1
1892 1 107 GLU HA 1 108 TYR H . . 3.150 2.581 2.037 3.240 0.090 14 0 "[ . 1 . 2]" 1
1893 1 107 GLU HA 1 108 TYR QD . . 5.230 4.126 2.515 5.091 . 0 0 "[ . 1 . 2]" 1
1894 1 107 GLU HA 1 109 PHE H . . 5.420 3.988 2.944 5.340 . 0 0 "[ . 1 . 2]" 1
1895 1 107 GLU HB3 1 109 PHE H . . 5.500 4.764 3.458 5.632 0.132 16 0 "[ . 1 . 2]" 1
1896 1 107 GLU HG2 1 108 TYR H . . 5.500 4.734 3.637 5.546 0.046 6 0 "[ . 1 . 2]" 1
1897 1 108 TYR H 1 108 TYR HB2 . . 3.590 3.115 2.262 3.864 0.274 12 0 "[ . 1 . 2]" 1
1898 1 108 TYR H 1 108 TYR HB3 . . 4.040 3.652 2.738 4.099 0.059 10 0 "[ . 1 . 2]" 1
1899 1 108 TYR H 1 108 TYR QD . . 3.810 3.016 1.855 3.868 0.058 7 0 "[ . 1 . 2]" 1
1900 1 108 TYR H 1 109 PHE H . . 3.950 2.839 2.201 4.016 0.066 1 0 "[ . 1 . 2]" 1
1901 1 108 TYR HA 1 108 TYR QD . . 3.150 2.931 2.183 3.294 0.144 4 0 "[ . 1 . 2]" 1
1902 1 108 TYR HA 1 109 PHE H . . 3.100 2.870 2.084 3.180 0.080 8 0 "[ . 1 . 2]" 1
1903 1 108 TYR HB2 1 109 PHE H . . 4.180 4.172 3.692 4.685 0.505 11 1 "[ . 1+ . 2]" 1
1904 1 108 TYR HB3 1 109 PHE H . . 4.810 4.329 3.631 4.591 . 0 0 "[ . 1 . 2]" 1
1905 1 108 TYR QD 1 109 PHE H . . 5.500 4.474 2.491 5.083 . 0 0 "[ . 1 . 2]" 1
1906 1 109 PHE H 1 109 PHE HB2 . . 3.570 3.042 2.192 4.038 0.468 9 0 "[ . 1 . 2]" 1
1907 1 109 PHE H 1 109 PHE HB3 . . 4.040 3.487 2.132 4.118 0.078 16 0 "[ . 1 . 2]" 1
1908 1 109 PHE H 1 109 PHE QD . . 3.680 3.255 2.322 3.790 0.110 6 0 "[ . 1 . 2]" 1
1909 1 109 PHE HA 1 109 PHE QD . . 3.800 2.961 2.229 3.789 . 0 0 "[ . 1 . 2]" 1
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