NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
606241 |
5l3m   |
34001 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_5l3m
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 1100
_Distance_constraint_stats_list.Viol_count 1472
_Distance_constraint_stats_list.Viol_total 1225.076
_Distance_constraint_stats_list.Viol_max 0.485
_Distance_constraint_stats_list.Viol_rms 0.0179
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0028
_Distance_constraint_stats_list.Viol_average_violations_only 0.0416
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 2 TYR 0.171 0.039 16 0 "[ . 1 . 2]"
1 3 ARG 0.872 0.111 16 0 "[ . 1 . 2]"
1 4 PRO 0.500 0.038 16 0 "[ . 1 . 2]"
1 5 SER 0.828 0.076 20 0 "[ . 1 . 2]"
1 6 GLU 1.299 0.111 16 0 "[ . 1 . 2]"
1 7 THR 0.410 0.043 11 0 "[ . 1 . 2]"
1 8 LEU 3.103 0.195 16 0 "[ . 1 . 2]"
1 9 CYS 1.511 0.195 16 0 "[ . 1 . 2]"
1 10 GLY 0.417 0.096 18 0 "[ . 1 . 2]"
1 11 GLY 0.089 0.049 19 0 "[ . 1 . 2]"
1 12 GLU 3.310 0.485 16 0 "[ . 1 . 2]"
1 13 LEU 8.662 0.485 16 0 "[ . 1 . 2]"
1 14 VAL 2.145 0.154 16 0 "[ . 1 . 2]"
1 15 ASP 0.195 0.059 2 0 "[ . 1 . 2]"
1 16 THR 8.486 0.357 2 0 "[ . 1 . 2]"
1 17 LEU 11.391 0.357 2 0 "[ . 1 . 2]"
1 18 GLN 1.335 0.154 16 0 "[ . 1 . 2]"
1 19 PHE 0.026 0.018 3 0 "[ . 1 . 2]"
1 20 VAL 6.969 0.271 19 0 "[ . 1 . 2]"
1 21 CYS 0.565 0.088 16 0 "[ . 1 . 2]"
1 22 GLY 0.390 0.053 17 0 "[ . 1 . 2]"
1 23 ASP 0.390 0.053 17 0 "[ . 1 . 2]"
1 24 ARG 0.292 0.048 9 0 "[ . 1 . 2]"
1 25 GLY 0.055 0.015 9 0 "[ . 1 . 2]"
1 26 PHE 0.116 0.025 20 0 "[ . 1 . 2]"
1 27 TYR 0.479 0.154 11 0 "[ . 1 . 2]"
1 28 PHE 3.318 0.316 16 0 "[ . 1 . 2]"
1 29 SER 0.122 0.037 16 0 "[ . 1 . 2]"
1 30 ARG 4.112 0.210 2 0 "[ . 1 . 2]"
1 31 PRO 4.367 0.210 2 0 "[ . 1 . 2]"
1 32 ALA 1.628 0.181 4 0 "[ . 1 . 2]"
1 33 SER 0.974 0.181 4 0 "[ . 1 . 2]"
1 34 ARG 0.648 0.063 5 0 "[ . 1 . 2]"
1 35 VAL 1.417 0.116 19 0 "[ . 1 . 2]"
1 36 SER 0.663 0.089 16 0 "[ . 1 . 2]"
1 37 ARG 0.778 0.116 19 0 "[ . 1 . 2]"
1 38 ARG 0.071 0.029 20 0 "[ . 1 . 2]"
1 39 SER 0.453 0.072 11 0 "[ . 1 . 2]"
1 40 PRO 0.290 0.049 11 0 "[ . 1 . 2]"
1 41 GLN 0.215 0.058 9 0 "[ . 1 . 2]"
1 42 ARG 0.505 0.066 5 0 "[ . 1 . 2]"
1 43 GLY 0.204 0.048 3 0 "[ . 1 . 2]"
1 44 ILE 7.445 0.365 4 0 "[ . 1 . 2]"
1 45 VAL 4.584 0.365 4 0 "[ . 1 . 2]"
1 46 GLU 0.942 0.087 11 0 "[ . 1 . 2]"
1 47 GLU 0.271 0.117 9 0 "[ . 1 . 2]"
1 48 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 CYS 0.163 0.103 15 0 "[ . 1 . 2]"
1 50 PHE 0.027 0.007 4 0 "[ . 1 . 2]"
1 51 ARG 1.649 0.186 20 0 "[ . 1 . 2]"
1 52 SER 0.629 0.051 2 0 "[ . 1 . 2]"
1 53 CYS 0.090 0.024 16 0 "[ . 1 . 2]"
1 54 ASP 0.750 0.084 5 0 "[ . 1 . 2]"
1 55 LEU 0.390 0.026 18 0 "[ . 1 . 2]"
1 56 ALA 0.993 0.084 5 0 "[ . 1 . 2]"
1 57 LEU 5.435 0.330 16 0 "[ . 1 . 2]"
1 58 LEU 6.961 0.231 16 0 "[ . 1 . 2]"
1 59 GLU 2.814 0.118 16 0 "[ . 1 . 2]"
1 60 THR 5.710 0.271 19 0 "[ . 1 . 2]"
1 61 TYR 1.015 0.238 16 0 "[ . 1 . 2]"
1 62 CYS 0.807 0.078 12 0 "[ . 1 . 2]"
1 63 ALA 0.864 0.073 3 0 "[ . 1 . 2]"
1 64 THR 1.158 0.100 20 0 "[ . 1 . 2]"
1 65 PRO 1.380 0.100 20 0 "[ . 1 . 2]"
1 66 ALA 0.529 0.124 17 0 "[ . 1 . 2]"
1 67 LYS 0.135 0.029 20 0 "[ . 1 . 2]"
1 68 SER 0.322 0.124 17 0 "[ . 1 . 2]"
1 69 GLU 0.020 0.012 13 0 "[ . 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 1 ALA HA 1 2 TYR H 2.810 . 2.810 2.225 2.070 2.711 . 0 0 "[ . 1 . 2]" 1
2 1 1 ALA MB 1 2 TYR H 3.770 . 3.770 2.733 1.909 3.552 . 0 0 "[ . 1 . 2]" 1
3 1 2 TYR H 1 2 TYR HB2 3.620 . 3.620 2.906 2.388 3.639 0.019 5 0 "[ . 1 . 2]" 1
4 1 2 TYR H 1 2 TYR QB 2.920 . 2.920 2.580 2.357 2.923 0.003 20 0 "[ . 1 . 2]" 1
5 1 2 TYR H 1 2 TYR HB3 3.620 . 3.620 3.364 2.853 3.659 0.039 16 0 "[ . 1 . 2]" 1
6 1 2 TYR H 1 2 TYR QD 4.070 . 4.070 2.692 2.392 3.104 . 0 0 "[ . 1 . 2]" 1
7 1 2 TYR HA 1 2 TYR QD 3.830 . 3.830 3.121 2.442 3.784 . 0 0 "[ . 1 . 2]" 1
8 1 2 TYR HA 1 3 ARG H 2.650 . 2.650 2.346 2.175 2.526 . 0 0 "[ . 1 . 2]" 1
9 1 2 TYR QB 1 3 ARG H 3.480 . 3.480 2.609 2.400 2.902 . 0 0 "[ . 1 . 2]" 1
10 1 2 TYR HB2 1 3 ARG H 3.970 . 3.970 3.342 2.548 3.977 0.007 18 0 "[ . 1 . 2]" 1
11 1 2 TYR HB3 1 3 ARG H 3.970 . 3.970 3.104 2.437 3.865 . 0 0 "[ . 1 . 2]" 1
12 1 2 TYR QD 1 3 ARG H 4.030 . 4.030 3.803 3.558 4.039 0.009 4 0 "[ . 1 . 2]" 1
13 1 3 ARG H 1 3 ARG HB2 3.680 . 3.680 2.545 2.000 3.603 . 0 0 "[ . 1 . 2]" 1
14 1 3 ARG H 1 3 ARG QB 3.010 . 3.010 2.332 1.973 2.477 . 0 0 "[ . 1 . 2]" 1
15 1 3 ARG H 1 3 ARG HB3 3.680 . 3.680 3.379 2.098 3.678 . 0 0 "[ . 1 . 2]" 1
16 1 3 ARG H 1 3 ARG QG 3.600 . 3.600 2.815 2.276 3.618 0.018 7 0 "[ . 1 . 2]" 1
17 1 3 ARG H 1 4 PRO HD2 5.310 . 5.310 5.320 5.303 5.331 0.021 2 0 "[ . 1 . 2]" 1
18 1 3 ARG H 1 4 PRO QD 4.540 . 4.540 4.486 4.272 4.555 0.015 16 0 "[ . 1 . 2]" 1
19 1 3 ARG H 1 4 PRO HD3 5.310 . 5.310 4.834 4.499 4.955 . 0 0 "[ . 1 . 2]" 1
20 1 3 ARG HA 1 3 ARG QD 3.980 . 3.980 3.887 2.770 4.057 0.077 6 0 "[ . 1 . 2]" 1
21 1 3 ARG HA 1 3 ARG QG 3.400 . 3.400 2.550 2.327 3.448 0.048 20 0 "[ . 1 . 2]" 1
22 1 3 ARG HA 1 4 PRO HD2 3.000 . 3.000 2.890 2.659 3.006 0.006 18 0 "[ . 1 . 2]" 1
23 1 3 ARG HA 1 4 PRO HD3 3.000 . 3.000 2.079 1.953 2.185 . 0 0 "[ . 1 . 2]" 1
24 1 3 ARG HA 1 4 PRO QG 4.170 . 4.170 3.895 3.793 3.989 . 0 0 "[ . 1 . 2]" 1
25 1 3 ARG QB 1 3 ARG QD 3.050 . 3.050 2.135 1.984 2.390 . 0 0 "[ . 1 . 2]" 1
26 1 3 ARG QB 1 4 PRO QD 3.180 . 3.180 2.606 2.334 3.217 0.037 9 0 "[ . 1 . 2]" 1
27 1 3 ARG QB 1 5 SER H 4.000 . 4.000 2.769 2.207 3.922 . 0 0 "[ . 1 . 2]" 1
28 1 3 ARG QB 1 6 GLU QG 3.840 . 3.840 2.505 1.988 3.863 0.023 20 0 "[ . 1 . 2]" 1
29 1 3 ARG HB2 1 3 ARG QD 3.630 . 3.630 2.453 2.142 3.380 . 0 0 "[ . 1 . 2]" 1
30 1 3 ARG HB2 1 4 PRO HD2 4.810 . 4.810 4.019 2.551 4.798 . 0 0 "[ . 1 . 2]" 1
31 1 3 ARG HB2 1 4 PRO HD3 4.810 . 4.810 4.396 3.101 4.812 0.002 9 0 "[ . 1 . 2]" 1
32 1 3 ARG HB2 1 5 SER H 4.690 . 4.690 3.583 3.109 4.433 . 0 0 "[ . 1 . 2]" 1
33 1 3 ARG HB2 1 6 GLU QG 4.550 . 4.550 2.722 2.001 4.363 . 0 0 "[ . 1 . 2]" 1
34 1 3 ARG HB3 1 3 ARG QD 3.630 . 3.630 2.506 2.108 3.327 . 0 0 "[ . 1 . 2]" 1
35 1 3 ARG HB3 1 4 PRO HD2 4.810 . 4.810 2.972 2.426 4.520 . 0 0 "[ . 1 . 2]" 1
36 1 3 ARG HB3 1 4 PRO HD3 4.810 . 4.810 3.627 3.209 4.706 . 0 0 "[ . 1 . 2]" 1
37 1 3 ARG HB3 1 5 SER H 4.690 . 4.690 3.024 2.252 4.710 0.020 20 0 "[ . 1 . 2]" 1
38 1 3 ARG HB3 1 6 GLU QG 4.550 . 4.550 3.530 2.320 4.553 0.003 5 0 "[ . 1 . 2]" 1
39 1 3 ARG QD 1 6 GLU QG 4.730 . 4.730 3.668 2.094 4.841 0.111 16 0 "[ . 1 . 2]" 1
40 1 3 ARG QG 1 4 PRO HD2 4.240 . 4.240 3.676 2.182 4.241 0.001 9 0 "[ . 1 . 2]" 1
41 1 3 ARG QG 1 4 PRO QD 3.710 . 3.710 3.306 2.132 3.741 0.031 9 0 "[ . 1 . 2]" 1
42 1 3 ARG QG 1 4 PRO HD3 4.240 . 4.240 3.827 2.995 4.261 0.021 20 0 "[ . 1 . 2]" 1
43 1 4 PRO HB2 1 5 SER H 3.470 . 3.470 2.762 2.279 2.897 . 0 0 "[ . 1 . 2]" 1
44 1 4 PRO HB2 1 5 SER QB 4.830 . 4.830 3.645 3.214 4.097 . 0 0 "[ . 1 . 2]" 1
45 1 4 PRO HB3 1 5 SER H 4.130 . 4.130 4.084 3.741 4.154 0.024 11 0 "[ . 1 . 2]" 1
46 1 4 PRO HB3 1 5 SER QB 5.500 . 5.500 4.964 4.132 5.538 0.038 16 0 "[ . 1 . 2]" 1
47 1 4 PRO QD 1 5 SER H 4.060 . 4.060 2.670 2.236 3.036 . 0 0 "[ . 1 . 2]" 1
48 1 5 SER H 1 5 SER QB 3.300 . 3.300 2.800 2.458 3.119 . 0 0 "[ . 1 . 2]" 1
49 1 5 SER H 1 6 GLU H 3.800 . 3.800 3.582 2.248 3.876 0.076 20 0 "[ . 1 . 2]" 1
50 1 5 SER H 1 6 GLU QG 4.950 . 4.950 3.842 2.817 4.364 . 0 0 "[ . 1 . 2]" 1
51 1 5 SER HA 1 6 GLU H 2.770 . 2.770 2.315 2.051 2.818 0.048 2 0 "[ . 1 . 2]" 1
52 1 5 SER QB 1 6 GLU H 4.080 . 4.080 3.685 2.951 4.081 0.001 4 0 "[ . 1 . 2]" 1
53 1 5 SER QB 1 6 GLU QG 5.090 . 5.090 4.895 4.147 5.159 0.069 13 0 "[ . 1 . 2]" 1
54 1 6 GLU H 1 6 GLU HB2 3.780 . 3.780 2.567 2.343 3.583 . 0 0 "[ . 1 . 2]" 1
55 1 6 GLU H 1 6 GLU QB 2.990 . 2.990 2.485 2.314 2.741 . 0 0 "[ . 1 . 2]" 1
56 1 6 GLU H 1 6 GLU HB3 3.780 . 3.780 3.630 2.845 3.789 0.009 17 0 "[ . 1 . 2]" 1
57 1 6 GLU H 1 6 GLU QG 3.320 . 3.320 2.481 1.704 3.333 0.013 14 0 "[ . 1 . 2]" 1
58 1 6 GLU H 1 7 THR H 3.350 . 3.350 2.251 1.887 2.661 . 0 0 "[ . 1 . 2]" 1
59 1 6 GLU H 1 7 THR MG 4.840 . 4.840 4.074 3.402 4.842 0.002 14 0 "[ . 1 . 2]" 1
60 1 6 GLU HA 1 6 GLU QG 3.270 . 3.270 2.672 2.322 3.320 0.050 9 0 "[ . 1 . 2]" 1
61 1 6 GLU QB 1 6 GLU QG 2.410 . 2.410 2.048 2.001 2.097 . 0 0 "[ . 1 . 2]" 1
62 1 6 GLU QB 1 7 THR H 3.630 . 3.630 3.014 1.893 3.652 0.022 9 0 "[ . 1 . 2]" 1
63 1 6 GLU QB 1 7 THR MG 4.520 . 4.520 3.229 2.564 4.283 . 0 0 "[ . 1 . 2]" 1
64 1 6 GLU HB2 1 7 THR H 4.310 . 4.310 3.123 1.935 3.940 . 0 0 "[ . 1 . 2]" 1
65 1 6 GLU HB3 1 7 THR H 4.310 . 4.310 4.008 2.676 4.345 0.035 11 0 "[ . 1 . 2]" 1
66 1 6 GLU QG 1 7 THR H 4.120 . 4.120 4.046 2.750 4.163 0.043 11 0 "[ . 1 . 2]" 1
67 1 6 GLU QG 1 7 THR MG 5.500 . 5.500 4.646 2.997 5.410 . 0 0 "[ . 1 . 2]" 1
68 1 7 THR H 1 7 THR MG 3.270 . 3.270 2.813 2.509 3.138 . 0 0 "[ . 1 . 2]" 1
69 1 7 THR H 1 8 LEU H 4.700 . 4.700 4.497 4.317 4.620 . 0 0 "[ . 1 . 2]" 1
70 1 7 THR HA 1 7 THR MG 2.730 . 2.730 2.314 2.186 2.397 . 0 0 "[ . 1 . 2]" 1
71 1 7 THR HA 1 8 LEU HB2 4.550 . 4.550 4.310 4.053 4.506 . 0 0 "[ . 1 . 2]" 1
72 1 7 THR MG 1 8 LEU H 4.150 . 4.150 3.658 3.307 3.955 . 0 0 "[ . 1 . 2]" 1
73 1 7 THR MG 1 49 CYS H 5.500 . 5.500 4.988 4.428 5.470 . 0 0 "[ . 1 . 2]" 1
74 1 7 THR MG 1 49 CYS HA 4.030 . 4.030 3.428 2.634 3.800 . 0 0 "[ . 1 . 2]" 1
75 1 7 THR MG 1 51 ARG H 4.410 . 4.410 4.046 3.701 4.416 0.006 12 0 "[ . 1 . 2]" 1
76 1 7 THR MG 1 52 SER H 4.490 . 4.490 3.969 3.604 4.365 . 0 0 "[ . 1 . 2]" 1
77 1 7 THR MG 1 52 SER HA 3.650 . 3.650 2.611 2.180 3.322 . 0 0 "[ . 1 . 2]" 1
78 1 7 THR MG 1 52 SER QB 3.590 . 3.590 2.774 2.187 3.614 0.024 18 0 "[ . 1 . 2]" 1
79 1 8 LEU H 1 8 LEU MD1 4.460 . 4.460 4.013 3.701 4.398 . 0 0 "[ . 1 . 2]" 1
80 1 8 LEU H 1 8 LEU MD2 4.460 . 4.460 3.994 3.109 4.323 . 0 0 "[ . 1 . 2]" 1
81 1 8 LEU H 1 13 LEU QD 4.680 . 4.680 4.004 3.764 4.568 . 0 0 "[ . 1 . 2]" 1
82 1 8 LEU H 1 49 CYS HA 5.500 . 5.500 3.033 2.724 3.516 . 0 0 "[ . 1 . 2]" 1
83 1 8 LEU HA 1 8 LEU MD1 3.990 . 3.990 3.278 2.029 3.919 . 0 0 "[ . 1 . 2]" 1
84 1 8 LEU HA 1 8 LEU QD 3.140 . 3.140 2.128 2.016 2.223 . 0 0 "[ . 1 . 2]" 1
85 1 8 LEU HA 1 8 LEU MD2 3.990 . 3.990 2.612 2.065 3.910 . 0 0 "[ . 1 . 2]" 1
86 1 8 LEU HB2 1 8 LEU MD1 3.240 . 3.240 2.445 2.202 3.214 . 0 0 "[ . 1 . 2]" 1
87 1 8 LEU HB2 1 8 LEU MD2 3.240 . 3.240 2.849 2.037 3.209 . 0 0 "[ . 1 . 2]" 1
88 1 8 LEU HB2 1 9 CYS H 4.470 . 4.470 4.336 4.172 4.485 0.015 19 0 "[ . 1 . 2]" 1
89 1 8 LEU HB2 1 13 LEU HA 4.830 . 4.830 3.817 3.305 4.859 0.029 18 0 "[ . 1 . 2]" 1
90 1 8 LEU HB2 1 13 LEU QD 4.060 . 4.060 2.529 2.102 4.030 . 0 0 "[ . 1 . 2]" 1
91 1 8 LEU HB2 1 48 CYS QB 4.600 . 4.600 2.543 2.041 3.921 . 0 0 "[ . 1 . 2]" 1
92 1 8 LEU HB3 1 8 LEU MD1 3.400 . 3.400 2.598 2.397 3.225 . 0 0 "[ . 1 . 2]" 1
93 1 8 LEU HB3 1 8 LEU MD2 3.400 . 3.400 2.445 2.148 3.161 . 0 0 "[ . 1 . 2]" 1
94 1 8 LEU HB3 1 9 CYS H 4.570 . 4.570 3.570 3.231 4.443 . 0 0 "[ . 1 . 2]" 1
95 1 8 LEU HB3 1 9 CYS QB 5.290 . 5.290 5.151 4.985 5.349 0.059 15 0 "[ . 1 . 2]" 1
96 1 8 LEU HB3 1 13 LEU HA 4.750 . 4.750 2.580 2.117 4.342 . 0 0 "[ . 1 . 2]" 1
97 1 8 LEU HB3 1 13 LEU QD 4.000 . 4.000 2.409 2.158 2.868 . 0 0 "[ . 1 . 2]" 1
98 1 8 LEU HB3 1 48 CYS QB 4.410 . 4.410 3.442 2.084 4.079 . 0 0 "[ . 1 . 2]" 1
99 1 8 LEU QD 1 9 CYS H 3.420 . 3.420 3.372 2.584 3.615 0.195 16 0 "[ . 1 . 2]" 1
100 1 8 LEU QD 1 12 GLU HA 4.260 . 4.260 4.027 3.686 4.260 0.000 17 0 "[ . 1 . 2]" 1
101 1 8 LEU QD 1 12 GLU QB 3.250 . 3.250 2.661 2.161 3.234 . 0 0 "[ . 1 . 2]" 1
102 1 8 LEU QD 1 12 GLU QG 3.620 . 3.620 2.145 1.996 2.595 . 0 0 "[ . 1 . 2]" 1
103 1 8 LEU QD 1 13 LEU H 3.880 . 3.880 3.594 3.147 3.855 . 0 0 "[ . 1 . 2]" 1
104 1 8 LEU QD 1 13 LEU HA 3.270 . 3.270 2.409 2.217 2.804 . 0 0 "[ . 1 . 2]" 1
105 1 8 LEU QD 1 13 LEU QD 3.490 . 3.490 2.452 2.064 3.101 . 0 0 "[ . 1 . 2]" 1
106 1 8 LEU QD 1 14 VAL H 4.900 . 4.900 4.873 4.698 4.972 0.072 12 0 "[ . 1 . 2]" 1
107 1 8 LEU QD 1 15 ASP H 5.020 . 5.020 4.985 4.835 5.079 0.059 2 0 "[ . 1 . 2]" 1
108 1 8 LEU QD 1 16 THR H 4.040 . 4.040 3.676 3.526 3.853 . 0 0 "[ . 1 . 2]" 1
109 1 8 LEU QD 1 16 THR HA 5.140 . 5.140 4.254 4.163 4.523 . 0 0 "[ . 1 . 2]" 1
110 1 8 LEU QD 1 16 THR HB 3.440 . 3.440 2.636 2.251 3.507 0.067 8 0 "[ . 1 . 2]" 1
111 1 8 LEU QD 1 16 THR HG1 3.340 . 3.340 2.462 2.207 2.805 . 0 0 "[ . 1 . 2]" 1
112 1 8 LEU QD 1 16 THR MG 2.980 . 2.980 2.203 2.008 2.614 . 0 0 "[ . 1 . 2]" 1
113 1 8 LEU QD 1 17 LEU H 5.440 . 5.440 4.568 4.270 5.218 . 0 0 "[ . 1 . 2]" 1
114 1 8 LEU QD 1 17 LEU MD1 5.190 . 5.190 4.766 4.396 5.337 0.147 8 0 "[ . 1 . 2]" 1
115 1 8 LEU MD1 1 13 LEU HA 3.880 . 3.880 2.633 2.298 2.923 . 0 0 "[ . 1 . 2]" 1
116 1 8 LEU MD1 1 16 THR H 5.070 . 5.070 4.116 3.833 4.309 . 0 0 "[ . 1 . 2]" 1
117 1 8 LEU MD1 1 16 THR HB 4.050 . 4.050 2.954 2.406 4.055 0.005 8 0 "[ . 1 . 2]" 1
118 1 8 LEU MD1 1 16 THR HG1 3.840 . 3.840 2.869 2.275 3.544 . 0 0 "[ . 1 . 2]" 1
119 1 8 LEU MD2 1 13 LEU HA 3.880 . 3.880 2.932 2.303 3.922 0.042 12 0 "[ . 1 . 2]" 1
120 1 8 LEU MD2 1 16 THR H 5.070 . 5.070 4.240 3.871 5.103 0.033 8 0 "[ . 1 . 2]" 1
121 1 8 LEU MD2 1 16 THR HB 4.050 . 4.050 3.499 2.269 4.010 . 0 0 "[ . 1 . 2]" 1
122 1 8 LEU MD2 1 16 THR HG1 3.840 . 3.840 2.837 2.405 3.558 . 0 0 "[ . 1 . 2]" 1
123 1 8 LEU HG 1 13 LEU HA 4.640 . 4.640 3.779 1.992 4.677 0.037 16 0 "[ . 1 . 2]" 1
124 1 8 LEU HG 1 13 LEU QD 4.230 . 4.230 3.529 2.175 4.173 . 0 0 "[ . 1 . 2]" 1
125 1 9 CYS CB 1 49 CYS SG 3.100 . 3.100 3.029 3.001 3.073 . 0 0 "[ . 1 . 2]" 1
126 1 9 CYS H 1 9 CYS HB2 4.120 . 4.120 2.775 2.424 3.038 . 0 0 "[ . 1 . 2]" 1
127 1 9 CYS H 1 9 CYS QB 3.580 . 3.580 2.611 2.364 2.796 . 0 0 "[ . 1 . 2]" 1
128 1 9 CYS H 1 9 CYS HB3 4.120 . 4.120 3.293 3.037 3.835 . 0 0 "[ . 1 . 2]" 1
129 1 9 CYS H 1 13 LEU QD 5.020 . 5.020 4.276 4.026 4.614 . 0 0 "[ . 1 . 2]" 1
130 1 9 CYS HA 1 13 LEU MD1 5.470 . 5.470 4.468 3.996 4.936 . 0 0 "[ . 1 . 2]" 1
131 1 9 CYS HA 1 13 LEU QD 4.090 . 4.090 2.930 2.559 3.303 . 0 0 "[ . 1 . 2]" 1
132 1 9 CYS HA 1 13 LEU MD2 5.470 . 5.470 2.974 2.589 3.355 . 0 0 "[ . 1 . 2]" 1
133 1 9 CYS HA 1 45 VAL QG 5.250 . 5.250 3.742 2.299 5.009 . 0 0 "[ . 1 . 2]" 1
134 1 9 CYS QB 1 10 GLY H 4.050 . 4.050 2.663 1.865 3.877 . 0 0 "[ . 1 . 2]" 1
135 1 9 CYS HB2 1 10 GLY H 4.640 . 4.640 3.707 2.441 4.564 . 0 0 "[ . 1 . 2]" 1
136 1 9 CYS HB3 1 10 GLY H 4.640 . 4.640 2.787 1.881 4.193 . 0 0 "[ . 1 . 2]" 1
137 1 9 CYS SG 1 49 CYS CB 3.100 . 3.100 3.047 3.019 3.090 . 0 0 "[ . 1 . 2]" 1
138 1 9 CYS SG 1 49 CYS SG 2.100 . 2.100 2.030 2.027 2.037 . 0 0 "[ . 1 . 2]" 1
139 1 10 GLY H 1 13 LEU QD 4.720 . 4.720 4.296 3.109 4.816 0.096 18 0 "[ . 1 . 2]" 1
140 1 10 GLY QA 1 12 GLU H 4.470 . 4.470 3.517 3.069 4.473 0.003 8 0 "[ . 1 . 2]" 1
141 1 11 GLY H 1 12 GLU H 4.020 . 4.020 2.914 2.532 3.791 . 0 0 "[ . 1 . 2]" 1
142 1 11 GLY QA 1 14 VAL H 4.490 . 4.490 3.147 2.965 3.671 . 0 0 "[ . 1 . 2]" 1
143 1 11 GLY QA 1 14 VAL HB 3.910 . 3.910 2.917 2.501 3.522 . 0 0 "[ . 1 . 2]" 1
144 1 11 GLY QA 1 14 VAL MG1 4.560 . 4.560 4.131 3.797 4.609 0.049 19 0 "[ . 1 . 2]" 1
145 1 11 GLY QA 1 14 VAL MG2 3.630 . 3.630 2.622 2.401 3.181 . 0 0 "[ . 1 . 2]" 1
146 1 11 GLY HA2 1 14 VAL HB 4.650 . 4.650 2.978 2.534 3.661 . 0 0 "[ . 1 . 2]" 1
147 1 11 GLY HA2 1 14 VAL MG2 4.470 . 4.470 2.655 2.423 3.260 . 0 0 "[ . 1 . 2]" 1
148 1 11 GLY HA3 1 14 VAL HB 4.650 . 4.650 4.227 3.833 4.665 0.015 8 0 "[ . 1 . 2]" 1
149 1 11 GLY HA3 1 14 VAL MG2 4.470 . 4.470 4.102 3.927 4.464 . 0 0 "[ . 1 . 2]" 1
150 1 12 GLU H 1 12 GLU HB2 4.020 . 4.020 2.732 2.120 3.617 . 0 0 "[ . 1 . 2]" 1
151 1 12 GLU H 1 12 GLU QB 3.520 . 3.520 2.306 2.073 2.727 . 0 0 "[ . 1 . 2]" 1
152 1 12 GLU H 1 12 GLU HB3 4.020 . 4.020 2.649 2.423 2.945 . 0 0 "[ . 1 . 2]" 1
153 1 12 GLU H 1 12 GLU HG2 4.710 . 4.710 3.891 1.783 4.667 . 0 0 "[ . 1 . 2]" 1
154 1 12 GLU H 1 12 GLU QG 4.100 . 4.100 3.487 1.768 4.088 . 0 0 "[ . 1 . 2]" 1
155 1 12 GLU H 1 12 GLU HG3 4.710 . 4.710 4.102 2.600 4.519 . 0 0 "[ . 1 . 2]" 1
156 1 12 GLU H 1 13 LEU H 4.030 . 4.030 2.631 2.544 2.743 . 0 0 "[ . 1 . 2]" 1
157 1 12 GLU HA 1 12 GLU HG2 4.090 . 4.090 3.539 2.944 3.795 . 0 0 "[ . 1 . 2]" 1
158 1 12 GLU HA 1 12 GLU HG3 4.090 . 4.090 3.064 2.463 4.128 0.038 1 0 "[ . 1 . 2]" 1
159 1 12 GLU HA 1 15 ASP H 4.520 . 4.520 3.294 3.002 3.609 . 0 0 "[ . 1 . 2]" 1
160 1 12 GLU HA 1 15 ASP HB2 4.700 . 4.700 3.178 2.382 3.728 . 0 0 "[ . 1 . 2]" 1
161 1 12 GLU HA 1 15 ASP QB 4.140 . 4.140 2.584 2.237 3.096 . 0 0 "[ . 1 . 2]" 1
162 1 12 GLU HA 1 15 ASP HB3 4.700 . 4.700 2.863 2.255 4.646 . 0 0 "[ . 1 . 2]" 1
163 1 12 GLU HB2 1 13 LEU H 4.390 . 4.390 3.860 3.506 4.138 . 0 0 "[ . 1 . 2]" 1
164 1 12 GLU HB3 1 13 LEU H 4.390 . 4.390 3.179 2.596 4.225 . 0 0 "[ . 1 . 2]" 1
165 1 12 GLU QG 1 13 LEU QD 4.850 . 4.850 4.820 4.062 5.335 0.485 16 0 "[ . 1 . 2]" 1
166 1 13 LEU H 1 13 LEU HB2 3.980 . 3.980 2.544 2.367 2.655 . 0 0 "[ . 1 . 2]" 1
167 1 13 LEU H 1 13 LEU HB3 3.980 . 3.980 2.441 2.406 2.498 . 0 0 "[ . 1 . 2]" 1
168 1 13 LEU H 1 13 LEU MD1 4.410 . 4.410 4.198 4.111 4.272 . 0 0 "[ . 1 . 2]" 1
169 1 13 LEU H 1 13 LEU QD 3.880 . 3.880 3.736 3.620 3.802 . 0 0 "[ . 1 . 2]" 1
170 1 13 LEU H 1 13 LEU MD2 4.410 . 4.410 4.191 3.953 4.279 . 0 0 "[ . 1 . 2]" 1
171 1 13 LEU H 1 13 LEU HG 4.570 . 4.570 4.472 4.439 4.520 . 0 0 "[ . 1 . 2]" 1
172 1 13 LEU H 1 14 VAL H 3.870 . 3.870 2.598 2.410 2.760 . 0 0 "[ . 1 . 2]" 1
173 1 13 LEU H 1 14 VAL MG2 4.470 . 4.470 3.973 3.748 4.173 . 0 0 "[ . 1 . 2]" 1
174 1 13 LEU HA 1 13 LEU MD1 3.980 . 3.980 2.159 2.086 2.243 . 0 0 "[ . 1 . 2]" 1
175 1 13 LEU HA 1 13 LEU QD 3.060 . 3.060 2.148 2.077 2.226 . 0 0 "[ . 1 . 2]" 1
176 1 13 LEU HA 1 13 LEU MD2 3.980 . 3.980 3.822 3.748 3.864 . 0 0 "[ . 1 . 2]" 1
177 1 13 LEU HA 1 13 LEU HG 4.210 . 4.210 3.356 3.251 3.483 . 0 0 "[ . 1 . 2]" 1
178 1 13 LEU QB 1 13 LEU QD 2.640 . 2.640 1.956 1.884 1.983 . 0 0 "[ . 1 . 2]" 1
179 1 13 LEU QB 1 14 VAL H 4.080 . 4.080 2.561 2.513 2.616 . 0 0 "[ . 1 . 2]" 1
180 1 13 LEU QB 1 14 VAL MG2 4.210 . 4.210 3.148 3.059 3.246 . 0 0 "[ . 1 . 2]" 1
181 1 13 LEU QB 1 45 VAL QG 4.960 . 4.960 4.251 3.770 4.741 . 0 0 "[ . 1 . 2]" 1
182 1 13 LEU HB2 1 14 VAL H 4.780 . 4.780 3.890 3.820 3.937 . 0 0 "[ . 1 . 2]" 1
183 1 13 LEU HB3 1 14 VAL H 4.780 . 4.780 2.597 2.546 2.657 . 0 0 "[ . 1 . 2]" 1
184 1 13 LEU QD 1 14 VAL HA 4.790 . 4.790 4.220 4.129 4.351 . 0 0 "[ . 1 . 2]" 1
185 1 13 LEU QD 1 14 VAL MG2 4.230 . 4.230 3.882 3.703 4.115 . 0 0 "[ . 1 . 2]" 1
186 1 13 LEU QD 1 16 THR H 4.710 . 4.710 4.279 4.135 4.460 . 0 0 "[ . 1 . 2]" 1
187 1 13 LEU QD 1 16 THR HB 4.260 . 4.260 2.833 2.527 2.990 . 0 0 "[ . 1 . 2]" 1
188 1 13 LEU QD 1 16 THR HG1 5.210 . 5.210 4.171 3.891 4.779 . 0 0 "[ . 1 . 2]" 1
189 1 13 LEU QD 1 16 THR MG 3.770 . 3.770 3.664 3.402 3.826 0.056 18 0 "[ . 1 . 2]" 1
190 1 13 LEU QD 1 17 LEU H 4.330 . 4.330 3.740 3.592 3.934 . 0 0 "[ . 1 . 2]" 1
191 1 13 LEU QD 1 17 LEU HA 5.060 . 5.060 4.719 4.531 4.910 . 0 0 "[ . 1 . 2]" 1
192 1 13 LEU QD 1 17 LEU MD1 2.930 . 2.930 2.559 2.369 2.806 . 0 0 "[ . 1 . 2]" 1
193 1 13 LEU QD 1 17 LEU MD2 3.850 . 3.850 3.522 3.335 3.702 . 0 0 "[ . 1 . 2]" 1
194 1 13 LEU QD 1 17 LEU HG 3.660 . 3.660 2.936 2.797 3.163 . 0 0 "[ . 1 . 2]" 1
195 1 13 LEU QD 1 28 PHE QD 4.100 . 4.100 4.111 3.809 4.276 0.176 15 0 "[ . 1 . 2]" 1
196 1 13 LEU QD 1 28 PHE QE 4.160 . 4.160 2.902 2.509 3.170 . 0 0 "[ . 1 . 2]" 1
197 1 13 LEU QD 1 28 PHE HZ 4.500 . 4.500 2.723 2.389 3.084 . 0 0 "[ . 1 . 2]" 1
198 1 13 LEU QD 1 44 ILE HB 4.650 . 4.650 3.950 3.848 4.134 . 0 0 "[ . 1 . 2]" 1
199 1 13 LEU QD 1 44 ILE MD 2.870 . 2.870 2.582 2.496 2.671 . 0 0 "[ . 1 . 2]" 1
200 1 13 LEU QD 1 44 ILE QG 3.460 . 3.460 1.900 1.873 1.945 . 0 0 "[ . 1 . 2]" 1
201 1 13 LEU QD 1 45 VAL H 4.190 . 4.190 3.623 3.395 3.782 . 0 0 "[ . 1 . 2]" 1
202 1 13 LEU QD 1 45 VAL HA 3.420 . 3.420 2.587 2.254 2.753 . 0 0 "[ . 1 . 2]" 1
203 1 13 LEU QD 1 45 VAL QG 4.800 . 4.800 2.585 2.137 3.111 . 0 0 "[ . 1 . 2]" 1
204 1 13 LEU QD 1 48 CYS H 5.440 . 5.440 3.933 3.668 4.142 . 0 0 "[ . 1 . 2]" 1
205 1 13 LEU QD 1 48 CYS HA 5.440 . 5.440 4.430 4.190 4.602 . 0 0 "[ . 1 . 2]" 1
206 1 13 LEU QD 1 48 CYS QB 3.260 . 3.260 2.242 2.063 2.364 . 0 0 "[ . 1 . 2]" 1
207 1 13 LEU QD 1 49 CYS H 4.730 . 4.730 4.105 3.815 4.504 . 0 0 "[ . 1 . 2]" 1
208 1 13 LEU QD 1 49 CYS QB 4.810 . 4.810 3.098 2.723 3.594 . 0 0 "[ . 1 . 2]" 1
209 1 13 LEU MD1 1 14 VAL H 4.490 . 4.490 4.412 4.353 4.493 0.003 8 0 "[ . 1 . 2]" 1
210 1 13 LEU MD1 1 14 VAL MG2 5.030 . 5.030 4.834 4.691 5.009 . 0 0 "[ . 1 . 2]" 1
211 1 13 LEU MD1 1 17 LEU MD1 3.410 . 3.410 2.697 2.462 3.018 . 0 0 "[ . 1 . 2]" 1
212 1 13 LEU MD1 1 17 LEU MD2 4.700 . 4.700 3.649 3.442 3.874 . 0 0 "[ . 1 . 2]" 1
213 1 13 LEU MD1 1 17 LEU HG 4.760 . 4.760 2.964 2.819 3.208 . 0 0 "[ . 1 . 2]" 1
214 1 13 LEU MD1 1 28 PHE QD 5.500 . 5.500 5.585 5.512 5.653 0.153 11 0 "[ . 1 . 2]" 1
215 1 13 LEU MD1 1 28 PHE QE 4.940 . 4.940 4.595 4.496 4.777 . 0 0 "[ . 1 . 2]" 1
216 1 13 LEU MD1 1 28 PHE HZ 5.500 . 5.500 4.670 4.441 4.949 . 0 0 "[ . 1 . 2]" 1
217 1 13 LEU MD1 1 44 ILE MD 3.620 . 3.620 2.639 2.541 2.744 . 0 0 "[ . 1 . 2]" 1
218 1 13 LEU MD1 1 48 CYS HB2 4.400 . 4.400 2.670 2.472 2.826 . 0 0 "[ . 1 . 2]" 1
219 1 13 LEU MD1 1 48 CYS HB3 4.400 . 4.400 2.704 2.563 2.908 . 0 0 "[ . 1 . 2]" 1
220 1 13 LEU MD2 1 14 VAL H 4.490 . 4.490 4.444 4.365 4.535 0.045 8 0 "[ . 1 . 2]" 1
221 1 13 LEU MD2 1 14 VAL MG2 5.030 . 5.030 4.091 3.878 4.375 . 0 0 "[ . 1 . 2]" 1
222 1 13 LEU MD2 1 17 LEU MD1 3.410 . 3.410 3.193 3.057 3.342 . 0 0 "[ . 1 . 2]" 1
223 1 13 LEU MD2 1 17 LEU MD2 4.700 . 4.700 4.645 4.467 4.723 0.023 20 0 "[ . 1 . 2]" 1
224 1 13 LEU MD2 1 17 LEU HG 4.760 . 4.760 4.778 4.677 4.818 0.058 6 0 "[ . 1 . 2]" 1
225 1 13 LEU MD2 1 28 PHE QD 5.500 . 5.500 4.234 3.876 4.438 . 0 0 "[ . 1 . 2]" 1
226 1 13 LEU MD2 1 28 PHE QE 4.940 . 4.940 2.937 2.520 3.231 . 0 0 "[ . 1 . 2]" 1
227 1 13 LEU MD2 1 28 PHE HZ 5.500 . 5.500 2.745 2.396 3.132 . 0 0 "[ . 1 . 2]" 1
228 1 13 LEU MD2 1 44 ILE MD 3.620 . 3.620 3.670 3.552 3.748 0.128 18 0 "[ . 1 . 2]" 1
229 1 13 LEU MD2 1 48 CYS HB2 4.400 . 4.400 2.816 2.335 3.043 . 0 0 "[ . 1 . 2]" 1
230 1 13 LEU MD2 1 48 CYS HB3 4.400 . 4.400 3.676 3.152 3.949 . 0 0 "[ . 1 . 2]" 1
231 1 13 LEU HG 1 14 VAL H 5.170 . 5.170 3.812 3.674 4.074 . 0 0 "[ . 1 . 2]" 1
232 1 13 LEU HG 1 14 VAL HA 5.500 . 5.500 3.778 3.625 4.073 . 0 0 "[ . 1 . 2]" 1
233 1 13 LEU HG 1 17 LEU MD1 3.970 . 3.970 2.184 2.074 2.341 . 0 0 "[ . 1 . 2]" 1
234 1 13 LEU HG 1 17 LEU MD2 5.500 . 5.500 4.350 4.177 4.469 . 0 0 "[ . 1 . 2]" 1
235 1 13 LEU HG 1 44 ILE MD 4.890 . 4.890 4.394 4.153 4.504 . 0 0 "[ . 1 . 2]" 1
236 1 13 LEU HG 1 44 ILE QG 5.340 . 5.340 3.087 2.793 3.237 . 0 0 "[ . 1 . 2]" 1
237 1 13 LEU HG 1 44 ILE MG 4.630 . 4.630 3.387 3.114 3.737 . 0 0 "[ . 1 . 2]" 1
238 1 13 LEU HG 1 45 VAL HA 5.500 . 5.500 5.363 4.997 5.519 0.019 20 0 "[ . 1 . 2]" 1
239 1 13 LEU HG 1 45 VAL QG 5.440 . 5.440 4.771 4.270 5.474 0.034 12 0 "[ . 1 . 2]" 1
240 1 14 VAL H 1 14 VAL HB 3.490 . 3.490 2.552 2.511 2.623 . 0 0 "[ . 1 . 2]" 1
241 1 14 VAL H 1 14 VAL MG1 3.770 . 3.770 3.793 3.781 3.808 0.038 2 0 "[ . 1 . 2]" 1
242 1 14 VAL H 1 14 VAL MG2 2.970 . 2.970 2.091 1.995 2.157 . 0 0 "[ . 1 . 2]" 1
243 1 14 VAL H 1 15 ASP H 3.880 . 3.880 2.618 2.501 2.736 . 0 0 "[ . 1 . 2]" 1
244 1 14 VAL H 1 17 LEU MD1 4.660 . 4.660 3.880 3.794 3.953 . 0 0 "[ . 1 . 2]" 1
245 1 14 VAL HA 1 14 VAL MG1 3.090 . 3.090 2.405 2.380 2.455 . 0 0 "[ . 1 . 2]" 1
246 1 14 VAL HA 1 14 VAL MG2 3.030 . 3.030 2.429 2.392 2.481 . 0 0 "[ . 1 . 2]" 1
247 1 14 VAL HA 1 17 LEU H 4.140 . 4.140 3.293 3.147 3.371 . 0 0 "[ . 1 . 2]" 1
248 1 14 VAL HA 1 17 LEU HB2 4.170 . 4.170 2.516 2.329 2.666 . 0 0 "[ . 1 . 2]" 1
249 1 14 VAL HA 1 17 LEU HB3 4.480 . 4.480 4.126 3.938 4.305 . 0 0 "[ . 1 . 2]" 1
250 1 14 VAL HA 1 17 LEU MD1 3.350 . 3.350 2.197 2.065 2.312 . 0 0 "[ . 1 . 2]" 1
251 1 14 VAL HA 1 17 LEU HG 5.080 . 5.080 4.172 4.001 4.322 . 0 0 "[ . 1 . 2]" 1
252 1 14 VAL HA 1 18 GLN H 4.510 . 4.510 4.087 3.978 4.169 . 0 0 "[ . 1 . 2]" 1
253 1 14 VAL HA 1 26 PHE QE 4.670 . 4.670 3.875 3.449 4.112 . 0 0 "[ . 1 . 2]" 1
254 1 14 VAL HA 1 26 PHE HZ 5.020 . 5.020 3.999 3.562 4.705 . 0 0 "[ . 1 . 2]" 1
255 1 14 VAL HA 1 28 PHE QE 5.260 . 5.260 3.133 2.789 3.556 . 0 0 "[ . 1 . 2]" 1
256 1 14 VAL HA 1 28 PHE HZ 5.350 . 5.350 4.198 3.532 5.245 . 0 0 "[ . 1 . 2]" 1
257 1 14 VAL HB 1 15 ASP H 3.720 . 3.720 2.611 2.532 2.697 . 0 0 "[ . 1 . 2]" 1
258 1 14 VAL MG1 1 15 ASP H 3.720 . 3.720 3.526 3.441 3.633 . 0 0 "[ . 1 . 2]" 1
259 1 14 VAL MG1 1 15 ASP HA 3.990 . 3.990 3.590 3.467 3.730 . 0 0 "[ . 1 . 2]" 1
260 1 14 VAL MG1 1 17 LEU MD1 4.300 . 4.300 3.640 3.472 3.858 . 0 0 "[ . 1 . 2]" 1
261 1 14 VAL MG1 1 18 GLN H 4.080 . 4.080 3.986 3.895 4.044 . 0 0 "[ . 1 . 2]" 1
262 1 14 VAL MG1 1 18 GLN HA 5.280 . 5.280 5.237 5.099 5.309 0.029 3 0 "[ . 1 . 2]" 1
263 1 14 VAL MG1 1 18 GLN QB 4.130 . 4.130 4.072 3.949 4.172 0.042 1 0 "[ . 1 . 2]" 1
264 1 14 VAL MG1 1 18 GLN HE21 3.960 . 3.960 3.449 3.111 3.681 . 0 0 "[ . 1 . 2]" 1
265 1 14 VAL MG1 1 18 GLN QE 3.150 . 3.150 2.996 1.814 3.304 0.154 16 0 "[ . 1 . 2]" 1
266 1 14 VAL MG1 1 18 GLN HE22 3.960 . 3.960 3.416 1.825 3.949 . 0 0 "[ . 1 . 2]" 1
267 1 14 VAL MG1 1 18 GLN HG2 4.030 . 4.030 3.921 3.813 4.039 0.009 6 0 "[ . 1 . 2]" 1
268 1 14 VAL MG1 1 18 GLN QG 3.320 . 3.320 2.743 2.670 2.825 . 0 0 "[ . 1 . 2]" 1
269 1 14 VAL MG1 1 18 GLN HG3 4.030 . 4.030 2.801 2.725 2.891 . 0 0 "[ . 1 . 2]" 1
270 1 14 VAL MG1 1 26 PHE QD 5.500 . 5.500 4.802 4.311 5.044 . 0 0 "[ . 1 . 2]" 1
271 1 14 VAL MG1 1 26 PHE QE 4.210 . 4.210 2.994 2.590 3.231 . 0 0 "[ . 1 . 2]" 1
272 1 14 VAL MG1 1 26 PHE HZ 3.350 . 3.350 2.345 1.996 2.919 . 0 0 "[ . 1 . 2]" 1
273 1 14 VAL MG2 1 15 ASP H 3.990 . 3.990 3.821 3.744 3.920 . 0 0 "[ . 1 . 2]" 1
274 1 14 VAL MG2 1 17 LEU H 5.430 . 5.430 5.130 5.013 5.210 . 0 0 "[ . 1 . 2]" 1
275 1 14 VAL MG2 1 17 LEU MD1 4.060 . 4.060 3.252 3.044 3.398 . 0 0 "[ . 1 . 2]" 1
276 1 14 VAL MG2 1 26 PHE QE 4.280 . 4.280 3.728 3.153 4.145 . 0 0 "[ . 1 . 2]" 1
277 1 14 VAL MG2 1 28 PHE QD 4.730 . 4.730 4.207 3.756 4.524 . 0 0 "[ . 1 . 2]" 1
278 1 14 VAL MG2 1 28 PHE QE 3.340 . 3.340 2.353 2.157 2.732 . 0 0 "[ . 1 . 2]" 1
279 1 14 VAL MG2 1 28 PHE HZ 3.160 . 3.160 2.528 2.170 3.168 0.008 17 0 "[ . 1 . 2]" 1
280 1 15 ASP H 1 15 ASP HB2 4.180 . 4.180 2.453 2.037 3.060 . 0 0 "[ . 1 . 2]" 1
281 1 15 ASP H 1 15 ASP QB 3.630 . 3.630 2.200 2.012 2.339 . 0 0 "[ . 1 . 2]" 1
282 1 15 ASP H 1 15 ASP HB3 4.180 . 4.180 2.621 2.059 3.592 . 0 0 "[ . 1 . 2]" 1
283 1 15 ASP H 1 16 THR H 4.030 . 4.030 2.732 2.642 2.823 . 0 0 "[ . 1 . 2]" 1
284 1 15 ASP HA 1 18 GLN QB 4.210 . 4.210 2.726 2.607 2.863 . 0 0 "[ . 1 . 2]" 1
285 1 15 ASP QB 1 16 THR H 4.230 . 4.230 2.555 2.356 2.808 . 0 0 "[ . 1 . 2]" 1
286 1 15 ASP HB2 1 16 THR H 4.850 . 4.850 3.763 2.802 4.056 . 0 0 "[ . 1 . 2]" 1
287 1 15 ASP HB3 1 16 THR H 4.850 . 4.850 2.644 2.380 3.636 . 0 0 "[ . 1 . 2]" 1
288 1 16 THR H 1 16 THR HB 3.800 . 3.800 2.673 2.643 2.716 . 0 0 "[ . 1 . 2]" 1
289 1 16 THR H 1 16 THR HG1 3.630 . 3.630 2.020 1.842 2.936 . 0 0 "[ . 1 . 2]" 1
290 1 16 THR H 1 16 THR MG 3.800 . 3.800 3.751 3.700 3.769 . 0 0 "[ . 1 . 2]" 1
291 1 16 THR H 1 17 LEU HB2 4.930 . 4.930 4.683 4.533 4.769 . 0 0 "[ . 1 . 2]" 1
292 1 16 THR HA 1 16 THR MG 3.280 . 3.280 2.283 2.248 2.334 . 0 0 "[ . 1 . 2]" 1
293 1 16 THR HA 1 19 PHE QD 4.760 . 4.760 4.103 3.252 4.363 . 0 0 "[ . 1 . 2]" 1
294 1 16 THR HA 1 20 VAL QG 4.560 . 4.560 4.403 3.583 4.626 0.066 16 0 "[ . 1 . 2]" 1
295 1 16 THR HA 1 58 LEU QD 4.810 . 4.810 4.276 4.128 4.357 . 0 0 "[ . 1 . 2]" 1
296 1 16 THR HB 1 17 LEU H 4.250 . 4.250 2.618 2.565 2.672 . 0 0 "[ . 1 . 2]" 1
297 1 16 THR HB 1 17 LEU MD1 4.720 . 4.720 4.279 4.182 4.388 . 0 0 "[ . 1 . 2]" 1
298 1 16 THR HB 1 44 ILE MD 5.420 . 5.420 5.472 5.422 5.510 0.090 2 0 "[ . 1 . 2]" 1
299 1 16 THR HB 1 58 LEU MD1 4.490 . 4.490 2.741 2.602 2.947 . 0 0 "[ . 1 . 2]" 1
300 1 16 THR HB 1 58 LEU MD2 4.490 . 4.490 3.843 3.489 4.494 0.004 4 0 "[ . 1 . 2]" 1
301 1 16 THR HG1 1 17 LEU H 5.030 . 5.030 4.034 3.883 4.710 . 0 0 "[ . 1 . 2]" 1
302 1 16 THR HG1 1 58 LEU QD 5.440 . 5.440 4.439 4.260 4.605 . 0 0 "[ . 1 . 2]" 1
303 1 16 THR MG 1 17 LEU H 3.890 . 3.890 3.653 3.587 3.730 . 0 0 "[ . 1 . 2]" 1
304 1 16 THR MG 1 17 LEU HA 4.570 . 4.570 3.720 3.546 3.851 . 0 0 "[ . 1 . 2]" 1
305 1 16 THR MG 1 17 LEU MD1 4.740 . 4.740 4.988 4.845 5.097 0.357 2 0 "[ . 1 . 2]" 1
306 1 16 THR MG 1 17 LEU MD2 4.840 . 4.840 4.755 4.482 4.891 0.051 2 0 "[ . 1 . 2]" 1
307 1 16 THR MG 1 19 PHE QD 4.250 . 4.250 3.668 2.758 3.987 . 0 0 "[ . 1 . 2]" 1
308 1 16 THR MG 1 20 VAL H 4.460 . 4.460 3.659 3.520 3.819 . 0 0 "[ . 1 . 2]" 1
309 1 16 THR MG 1 20 VAL HA 5.050 . 5.050 5.038 4.867 5.094 0.044 9 0 "[ . 1 . 2]" 1
310 1 16 THR MG 1 20 VAL HB 3.810 . 3.810 3.248 2.958 3.834 0.024 3 0 "[ . 1 . 2]" 1
311 1 16 THR MG 1 20 VAL QG 3.060 . 3.060 2.989 2.199 3.273 0.213 9 0 "[ . 1 . 2]" 1
312 1 16 THR MG 1 55 LEU HA 4.570 . 4.570 4.210 3.836 4.398 . 0 0 "[ . 1 . 2]" 1
313 1 16 THR MG 1 58 LEU MD1 3.390 . 3.390 1.977 1.940 2.023 . 0 0 "[ . 1 . 2]" 1
314 1 16 THR MG 1 58 LEU QD 2.640 . 2.640 1.958 1.918 1.998 . 0 0 "[ . 1 . 2]" 1
315 1 16 THR MG 1 58 LEU MD2 3.390 . 3.390 3.212 2.996 3.418 0.028 4 0 "[ . 1 . 2]" 1
316 1 16 THR MG 1 58 LEU HG 4.620 . 4.620 4.182 4.088 4.340 . 0 0 "[ . 1 . 2]" 1
317 1 17 LEU H 1 17 LEU HB2 3.560 . 3.560 2.274 2.242 2.327 . 0 0 "[ . 1 . 2]" 1
318 1 17 LEU H 1 17 LEU HB3 4.120 . 4.120 3.549 3.533 3.585 . 0 0 "[ . 1 . 2]" 1
319 1 17 LEU H 1 17 LEU MD1 3.470 . 3.470 3.045 2.942 3.156 . 0 0 "[ . 1 . 2]" 1
320 1 17 LEU H 1 17 LEU MD2 4.120 . 4.120 4.056 4.012 4.121 0.001 4 0 "[ . 1 . 2]" 1
321 1 17 LEU H 1 17 LEU HG 3.920 . 3.920 2.740 2.667 2.845 . 0 0 "[ . 1 . 2]" 1
322 1 17 LEU H 1 20 VAL QG 4.670 . 4.670 4.304 4.173 4.709 0.039 3 0 "[ . 1 . 2]" 1
323 1 17 LEU H 1 58 LEU MD1 4.740 . 4.740 4.098 3.401 4.376 . 0 0 "[ . 1 . 2]" 1
324 1 17 LEU H 1 58 LEU QD 3.960 . 3.960 3.560 3.261 3.695 . 0 0 "[ . 1 . 2]" 1
325 1 17 LEU H 1 58 LEU MD2 4.740 . 4.740 3.941 3.735 4.190 . 0 0 "[ . 1 . 2]" 1
326 1 17 LEU HA 1 17 LEU MD1 3.900 . 3.900 3.776 3.730 3.811 . 0 0 "[ . 1 . 2]" 1
327 1 17 LEU HA 1 17 LEU MD2 3.000 . 3.000 2.427 2.292 2.537 . 0 0 "[ . 1 . 2]" 1
328 1 17 LEU HA 1 17 LEU HG 3.780 . 3.780 2.508 2.415 2.579 . 0 0 "[ . 1 . 2]" 1
329 1 17 LEU HA 1 20 VAL H 4.740 . 4.740 3.567 3.444 3.652 . 0 0 "[ . 1 . 2]" 1
330 1 17 LEU HA 1 20 VAL HB 4.300 . 4.300 4.051 2.951 4.302 0.002 19 0 "[ . 1 . 2]" 1
331 1 17 LEU HA 1 20 VAL MG1 4.780 . 4.780 2.452 2.050 4.397 . 0 0 "[ . 1 . 2]" 1
332 1 17 LEU HA 1 20 VAL QG 3.820 . 3.820 2.317 2.048 3.513 . 0 0 "[ . 1 . 2]" 1
333 1 17 LEU HA 1 20 VAL MG2 4.780 . 4.780 4.629 3.665 4.811 0.031 6 0 "[ . 1 . 2]" 1
334 1 17 LEU HA 1 21 CYS H 4.600 . 4.600 4.013 3.641 4.344 . 0 0 "[ . 1 . 2]" 1
335 1 17 LEU HA 1 44 ILE MD 5.050 . 5.050 5.071 4.998 5.119 0.069 2 0 "[ . 1 . 2]" 1
336 1 17 LEU HA 1 58 LEU MD1 4.270 . 4.270 3.624 2.684 4.022 . 0 0 "[ . 1 . 2]" 1
337 1 17 LEU HA 1 58 LEU QD 3.260 . 3.260 2.439 1.887 2.656 . 0 0 "[ . 1 . 2]" 1
338 1 17 LEU HA 1 58 LEU MD2 4.270 . 4.270 2.481 1.910 2.709 . 0 0 "[ . 1 . 2]" 1
339 1 17 LEU HB2 1 17 LEU MD1 3.650 . 3.650 2.172 2.151 2.207 . 0 0 "[ . 1 . 2]" 1
340 1 17 LEU HB2 1 18 GLN H 3.870 . 3.870 2.734 2.655 2.802 . 0 0 "[ . 1 . 2]" 1
341 1 17 LEU HB2 1 26 PHE QD 4.980 . 4.980 4.067 3.937 4.289 . 0 0 "[ . 1 . 2]" 1
342 1 17 LEU HB3 1 17 LEU MD1 3.340 . 3.340 2.674 2.637 2.714 . 0 0 "[ . 1 . 2]" 1
343 1 17 LEU HB3 1 17 LEU MD2 3.310 . 3.310 2.211 2.193 2.232 . 0 0 "[ . 1 . 2]" 1
344 1 17 LEU HB3 1 18 GLN H 4.410 . 4.410 3.486 3.398 3.544 . 0 0 "[ . 1 . 2]" 1
345 1 17 LEU HB3 1 26 PHE QB 5.140 . 5.140 3.168 2.874 3.534 . 0 0 "[ . 1 . 2]" 1
346 1 17 LEU HB3 1 26 PHE QD 4.780 . 4.780 3.045 2.925 3.187 . 0 0 "[ . 1 . 2]" 1
347 1 17 LEU MD1 1 18 GLN H 4.570 . 4.570 4.399 4.293 4.469 . 0 0 "[ . 1 . 2]" 1
348 1 17 LEU MD1 1 26 PHE QD 4.360 . 4.360 2.885 2.587 3.030 . 0 0 "[ . 1 . 2]" 1
349 1 17 LEU MD1 1 26 PHE QE 4.240 . 4.240 2.869 2.686 3.574 . 0 0 "[ . 1 . 2]" 1
350 1 17 LEU MD1 1 28 PHE HA 5.250 . 5.250 3.848 3.444 4.458 . 0 0 "[ . 1 . 2]" 1
351 1 17 LEU MD1 1 28 PHE QD 4.360 . 4.360 2.935 2.472 3.495 . 0 0 "[ . 1 . 2]" 1
352 1 17 LEU MD1 1 28 PHE QE 3.960 . 3.960 2.246 2.106 2.445 . 0 0 "[ . 1 . 2]" 1
353 1 17 LEU MD1 1 28 PHE HZ 5.120 . 5.120 3.511 3.141 4.037 . 0 0 "[ . 1 . 2]" 1
354 1 17 LEU MD1 1 44 ILE QG 3.310 . 3.310 2.152 2.046 2.327 . 0 0 "[ . 1 . 2]" 1
355 1 17 LEU MD1 1 44 ILE MG 3.360 . 3.360 2.606 2.345 2.919 . 0 0 "[ . 1 . 2]" 1
356 1 17 LEU MD1 1 58 LEU MD1 4.340 . 4.340 4.326 3.747 4.468 0.128 16 0 "[ . 1 . 2]" 1
357 1 17 LEU MD1 1 58 LEU QD 3.310 . 3.310 3.288 3.033 3.498 0.188 5 0 "[ . 1 . 2]" 1
358 1 17 LEU MD1 1 58 LEU MD2 4.340 . 4.340 3.439 3.090 3.947 . 0 0 "[ . 1 . 2]" 1
359 1 17 LEU MD1 1 61 TYR QB 5.340 . 5.340 4.236 4.003 4.382 . 0 0 "[ . 1 . 2]" 1
360 1 17 LEU MD2 1 18 GLN H 5.000 . 5.000 4.860 4.813 4.905 . 0 0 "[ . 1 . 2]" 1
361 1 17 LEU MD2 1 20 VAL QG 4.100 . 4.100 3.256 2.902 4.216 0.116 5 0 "[ . 1 . 2]" 1
362 1 17 LEU MD2 1 26 PHE HA 5.040 . 5.040 4.454 4.214 4.611 . 0 0 "[ . 1 . 2]" 1
363 1 17 LEU MD2 1 26 PHE HB2 3.930 . 3.930 2.312 2.155 2.438 . 0 0 "[ . 1 . 2]" 1
364 1 17 LEU MD2 1 26 PHE HB3 3.930 . 3.930 3.147 2.616 3.481 . 0 0 "[ . 1 . 2]" 1
365 1 17 LEU MD2 1 26 PHE QD 3.700 . 3.700 2.694 2.409 3.349 . 0 0 "[ . 1 . 2]" 1
366 1 17 LEU MD2 1 26 PHE QE 4.640 . 4.640 3.963 3.742 4.590 . 0 0 "[ . 1 . 2]" 1
367 1 17 LEU MD2 1 27 TYR H 4.650 . 4.650 3.874 3.609 4.209 . 0 0 "[ . 1 . 2]" 1
368 1 17 LEU MD2 1 28 PHE HA 4.980 . 4.980 4.210 3.723 4.998 0.018 3 0 "[ . 1 . 2]" 1
369 1 17 LEU MD2 1 28 PHE QD 4.890 . 4.890 4.124 3.799 4.538 . 0 0 "[ . 1 . 2]" 1
370 1 17 LEU MD2 1 28 PHE QE 4.990 . 4.990 4.325 4.123 4.584 . 0 0 "[ . 1 . 2]" 1
371 1 17 LEU MD2 1 44 ILE QG 3.860 . 3.860 2.732 2.422 2.970 . 0 0 "[ . 1 . 2]" 1
372 1 17 LEU MD2 1 58 LEU HB2 5.470 . 5.470 5.319 4.669 5.468 . 0 0 "[ . 1 . 2]" 1
373 1 17 LEU MD2 1 58 LEU QB 4.760 . 4.760 4.519 4.185 4.637 . 0 0 "[ . 1 . 2]" 1
374 1 17 LEU MD2 1 58 LEU HB3 5.470 . 5.470 4.897 4.692 5.010 . 0 0 "[ . 1 . 2]" 1
375 1 17 LEU MD2 1 58 LEU MD1 3.680 . 3.680 3.765 3.230 3.911 0.231 16 0 "[ . 1 . 2]" 1
376 1 17 LEU MD2 1 58 LEU QD 2.740 . 2.740 2.014 1.952 2.074 . 0 0 "[ . 1 . 2]" 1
377 1 17 LEU MD2 1 58 LEU MD2 3.680 . 3.680 2.023 1.959 2.092 . 0 0 "[ . 1 . 2]" 1
378 1 17 LEU MD2 1 58 LEU HG 4.230 . 4.230 3.651 2.525 4.060 . 0 0 "[ . 1 . 2]" 1
379 1 17 LEU MD2 1 61 TYR HB2 3.960 . 3.960 2.853 2.532 3.019 . 0 0 "[ . 1 . 2]" 1
380 1 17 LEU MD2 1 61 TYR QB 3.440 . 3.440 2.669 2.439 2.810 . 0 0 "[ . 1 . 2]" 1
381 1 17 LEU MD2 1 61 TYR HB3 3.960 . 3.960 3.222 2.963 3.537 . 0 0 "[ . 1 . 2]" 1
382 1 17 LEU MD2 1 61 TYR QD 4.650 . 4.650 4.164 3.932 4.343 . 0 0 "[ . 1 . 2]" 1
383 1 17 LEU MD2 1 62 CYS H 4.980 . 4.980 4.556 4.125 4.797 . 0 0 "[ . 1 . 2]" 1
384 1 17 LEU HG 1 26 PHE QD 5.380 . 5.380 5.018 4.911 5.266 . 0 0 "[ . 1 . 2]" 1
385 1 17 LEU HG 1 44 ILE MD 4.040 . 4.040 3.592 3.508 3.704 . 0 0 "[ . 1 . 2]" 1
386 1 17 LEU HG 1 44 ILE QG 5.150 . 5.150 3.549 3.395 3.717 . 0 0 "[ . 1 . 2]" 1
387 1 17 LEU HG 1 58 LEU MD1 3.870 . 3.870 3.296 2.440 3.554 . 0 0 "[ . 1 . 2]" 1
388 1 17 LEU HG 1 58 LEU QD 3.240 . 3.240 2.156 1.997 2.428 . 0 0 "[ . 1 . 2]" 1
389 1 17 LEU HG 1 58 LEU MD2 3.870 . 3.870 2.226 2.008 2.820 . 0 0 "[ . 1 . 2]" 1
390 1 18 GLN H 1 18 GLN HB2 3.600 . 3.600 2.379 2.360 2.425 . 0 0 "[ . 1 . 2]" 1
391 1 18 GLN H 1 18 GLN HB3 3.600 . 3.600 3.594 3.582 3.605 0.005 15 0 "[ . 1 . 2]" 1
392 1 18 GLN H 1 18 GLN HG2 3.870 . 3.870 3.695 3.584 3.739 . 0 0 "[ . 1 . 2]" 1
393 1 18 GLN H 1 18 GLN QG 3.330 . 3.330 2.398 2.358 2.506 . 0 0 "[ . 1 . 2]" 1
394 1 18 GLN H 1 18 GLN HG3 3.870 . 3.870 2.429 2.385 2.549 . 0 0 "[ . 1 . 2]" 1
395 1 18 GLN H 1 19 PHE H 3.780 . 3.780 2.613 2.574 2.652 . 0 0 "[ . 1 . 2]" 1
396 1 18 GLN H 1 20 VAL QG 5.130 . 5.130 4.550 4.399 5.188 0.058 5 0 "[ . 1 . 2]" 1
397 1 18 GLN HA 1 18 GLN HG2 3.970 . 3.970 2.562 2.407 2.627 . 0 0 "[ . 1 . 2]" 1
398 1 18 GLN HA 1 18 GLN QG 3.340 . 3.340 2.403 2.321 2.431 . 0 0 "[ . 1 . 2]" 1
399 1 18 GLN HA 1 18 GLN HG3 3.970 . 3.970 2.919 2.829 3.058 . 0 0 "[ . 1 . 2]" 1
400 1 18 GLN HA 1 21 CYS H 4.730 . 4.730 3.843 3.652 4.127 . 0 0 "[ . 1 . 2]" 1
401 1 18 GLN HA 1 26 PHE QD 4.470 . 4.470 3.527 3.061 4.207 . 0 0 "[ . 1 . 2]" 1
402 1 18 GLN HA 1 26 PHE QE 4.090 . 4.090 2.752 2.440 3.676 . 0 0 "[ . 1 . 2]" 1
403 1 18 GLN QB 1 19 PHE H 3.470 . 3.470 2.641 2.526 2.807 . 0 0 "[ . 1 . 2]" 1
404 1 18 GLN HB2 1 19 PHE H 4.000 . 4.000 2.711 2.585 2.901 . 0 0 "[ . 1 . 2]" 1
405 1 18 GLN HB2 1 26 PHE QE 5.500 . 5.500 4.536 4.381 4.906 . 0 0 "[ . 1 . 2]" 1
406 1 18 GLN HB3 1 19 PHE H 4.000 . 4.000 3.642 3.549 3.755 . 0 0 "[ . 1 . 2]" 1
407 1 18 GLN HB3 1 26 PHE QE 5.500 . 5.500 4.245 4.025 4.699 . 0 0 "[ . 1 . 2]" 1
408 1 18 GLN QG 1 19 PHE H 4.850 . 4.850 4.219 4.155 4.305 . 0 0 "[ . 1 . 2]" 1
409 1 18 GLN QG 1 26 PHE QE 3.380 . 3.380 2.161 2.010 2.393 . 0 0 "[ . 1 . 2]" 1
410 1 18 GLN HG2 1 26 PHE QE 4.160 . 4.160 2.319 2.098 2.532 . 0 0 "[ . 1 . 2]" 1
411 1 18 GLN HG2 1 26 PHE HZ 4.380 . 4.380 3.464 2.747 4.198 . 0 0 "[ . 1 . 2]" 1
412 1 18 GLN HG3 1 26 PHE QE 4.160 . 4.160 2.631 2.208 3.141 . 0 0 "[ . 1 . 2]" 1
413 1 18 GLN HG3 1 26 PHE HZ 4.380 . 4.380 2.838 2.421 3.448 . 0 0 "[ . 1 . 2]" 1
414 1 19 PHE H 1 19 PHE HB2 3.640 . 3.640 2.540 2.487 2.791 . 0 0 "[ . 1 . 2]" 1
415 1 19 PHE H 1 19 PHE HB3 3.640 . 3.640 2.454 2.205 2.526 . 0 0 "[ . 1 . 2]" 1
416 1 19 PHE H 1 19 PHE QD 4.510 . 4.510 4.190 4.052 4.209 . 0 0 "[ . 1 . 2]" 1
417 1 19 PHE H 1 20 VAL H 3.890 . 3.890 2.777 2.600 2.874 . 0 0 "[ . 1 . 2]" 1
418 1 19 PHE H 1 20 VAL QG 4.330 . 4.330 4.111 4.007 4.206 . 0 0 "[ . 1 . 2]" 1
419 1 19 PHE HA 1 19 PHE QD 4.010 . 4.010 2.816 2.768 2.858 . 0 0 "[ . 1 . 2]" 1
420 1 19 PHE HA 1 19 PHE QE 5.080 . 5.080 4.679 4.618 4.873 . 0 0 "[ . 1 . 2]" 1
421 1 19 PHE HA 1 21 CYS H 4.960 . 4.960 4.495 4.315 4.816 . 0 0 "[ . 1 . 2]" 1
422 1 19 PHE QB 1 20 VAL H 3.740 . 3.740 2.460 2.371 2.600 . 0 0 "[ . 1 . 2]" 1
423 1 19 PHE QB 1 20 VAL QG 4.590 . 4.590 3.795 2.852 4.074 . 0 0 "[ . 1 . 2]" 1
424 1 19 PHE HB2 1 20 VAL H 4.310 . 4.310 3.864 3.815 4.000 . 0 0 "[ . 1 . 2]" 1
425 1 19 PHE HB3 1 20 VAL H 4.310 . 4.310 2.489 2.394 2.634 . 0 0 "[ . 1 . 2]" 1
426 1 19 PHE QD 1 20 VAL H 4.640 . 4.640 3.241 2.836 3.555 . 0 0 "[ . 1 . 2]" 1
427 1 19 PHE QD 1 20 VAL MG1 4.630 . 4.630 4.464 4.061 4.648 0.018 3 0 "[ . 1 . 2]" 1
428 1 19 PHE QD 1 20 VAL QG 3.850 . 3.850 3.568 2.488 3.858 0.008 2 0 "[ . 1 . 2]" 1
429 1 19 PHE QD 1 20 VAL MG2 4.630 . 4.630 3.819 2.500 4.183 . 0 0 "[ . 1 . 2]" 1
430 1 20 VAL H 1 20 VAL HB 3.400 . 3.400 2.487 2.425 2.544 . 0 0 "[ . 1 . 2]" 1
431 1 20 VAL H 1 20 VAL MG1 3.780 . 3.780 2.455 2.163 3.803 0.023 4 0 "[ . 1 . 2]" 1
432 1 20 VAL H 1 20 VAL QG 2.960 . 2.960 2.203 2.151 2.260 . 0 0 "[ . 1 . 2]" 1
433 1 20 VAL H 1 20 VAL MG2 3.780 . 3.780 3.552 2.186 3.805 0.025 11 0 "[ . 1 . 2]" 1
434 1 20 VAL H 1 58 LEU QD 5.080 . 5.080 4.116 3.617 4.284 . 0 0 "[ . 1 . 2]" 1
435 1 20 VAL HA 1 20 VAL MG1 3.300 . 3.300 3.132 2.458 3.255 . 0 0 "[ . 1 . 2]" 1
436 1 20 VAL HA 1 20 VAL QG 2.820 . 2.820 2.242 2.135 2.284 . 0 0 "[ . 1 . 2]" 1
437 1 20 VAL HA 1 20 VAL MG2 3.300 . 3.300 2.312 2.261 2.360 . 0 0 "[ . 1 . 2]" 1
438 1 20 VAL HB 1 21 CYS H 4.400 . 4.400 3.911 2.748 4.186 . 0 0 "[ . 1 . 2]" 1
439 1 20 VAL HB 1 55 LEU HA 4.960 . 4.960 4.943 4.696 4.986 0.026 18 0 "[ . 1 . 2]" 1
440 1 20 VAL HB 1 55 LEU HB3 5.500 . 5.500 5.160 4.697 5.506 0.006 3 0 "[ . 1 . 2]" 1
441 1 20 VAL HB 1 58 LEU QD 4.240 . 4.240 3.037 2.168 3.378 . 0 0 "[ . 1 . 2]" 1
442 1 20 VAL QG 1 21 CYS H 3.450 . 3.450 2.552 2.340 3.313 . 0 0 "[ . 1 . 2]" 1
443 1 20 VAL QG 1 21 CYS HA 4.400 . 4.400 3.482 3.170 3.896 . 0 0 "[ . 1 . 2]" 1
444 1 20 VAL QG 1 21 CYS QB 3.900 . 3.900 3.037 2.105 3.896 . 0 0 "[ . 1 . 2]" 1
445 1 20 VAL QG 1 55 LEU HB2 4.520 . 4.520 2.739 2.133 3.215 . 0 0 "[ . 1 . 2]" 1
446 1 20 VAL QG 1 55 LEU HB3 5.030 . 5.030 3.901 2.720 4.467 . 0 0 "[ . 1 . 2]" 1
447 1 20 VAL QG 1 56 ALA HA 5.440 . 5.440 4.460 4.038 4.912 . 0 0 "[ . 1 . 2]" 1
448 1 20 VAL QG 1 58 LEU H 5.440 . 5.440 4.804 4.487 5.081 . 0 0 "[ . 1 . 2]" 1
449 1 20 VAL QG 1 58 LEU HA 5.440 . 5.440 4.846 4.563 5.081 . 0 0 "[ . 1 . 2]" 1
450 1 20 VAL QG 1 58 LEU QB 4.310 . 4.310 3.008 2.661 3.356 . 0 0 "[ . 1 . 2]" 1
451 1 20 VAL QG 1 58 LEU QD 2.590 . 2.590 1.905 1.816 1.969 . 0 0 "[ . 1 . 2]" 1
452 1 20 VAL QG 1 58 LEU HG 4.440 . 4.440 4.300 4.057 4.516 0.076 16 0 "[ . 1 . 2]" 1
453 1 20 VAL QG 1 59 GLU H 3.580 . 3.580 3.320 2.991 3.499 . 0 0 "[ . 1 . 2]" 1
454 1 20 VAL QG 1 59 GLU HA 3.160 . 3.160 2.659 2.260 2.863 . 0 0 "[ . 1 . 2]" 1
455 1 20 VAL QG 1 59 GLU HB2 3.550 . 3.550 2.446 2.179 2.707 . 0 0 "[ . 1 . 2]" 1
456 1 20 VAL QG 1 59 GLU HB3 4.020 . 4.020 3.799 3.578 4.030 0.010 12 0 "[ . 1 . 2]" 1
457 1 20 VAL QG 1 59 GLU QG 3.020 . 3.020 2.639 2.262 3.039 0.019 19 0 "[ . 1 . 2]" 1
458 1 20 VAL QG 1 60 THR MG 5.440 . 5.440 5.563 5.188 5.711 0.271 19 0 "[ . 1 . 2]" 1
459 1 20 VAL QG 1 61 TYR H 5.440 . 5.440 5.082 4.780 5.578 0.138 3 0 "[ . 1 . 2]" 1
460 1 20 VAL MG1 1 21 CYS H 3.960 . 3.960 2.600 2.356 3.536 . 0 0 "[ . 1 . 2]" 1
461 1 20 VAL MG1 1 59 GLU H 4.770 . 4.770 3.961 3.138 4.331 . 0 0 "[ . 1 . 2]" 1
462 1 20 VAL MG2 1 21 CYS H 3.960 . 3.960 3.987 3.951 4.048 0.088 16 0 "[ . 1 . 2]" 1
463 1 20 VAL MG2 1 59 GLU H 4.770 . 4.770 3.709 3.192 4.588 . 0 0 "[ . 1 . 2]" 1
464 1 21 CYS CB 1 62 CYS SG 3.100 . 3.100 3.014 2.995 3.053 . 0 0 "[ . 1 . 2]" 1
465 1 21 CYS H 1 21 CYS HB2 3.950 . 3.950 2.753 2.320 3.962 0.012 11 0 "[ . 1 . 2]" 1
466 1 21 CYS H 1 21 CYS QB 3.460 . 3.460 2.562 2.293 3.204 . 0 0 "[ . 1 . 2]" 1
467 1 21 CYS H 1 21 CYS HB3 3.950 . 3.950 3.483 2.675 3.811 . 0 0 "[ . 1 . 2]" 1
468 1 21 CYS H 1 22 GLY H 4.150 . 4.150 2.297 2.110 2.425 . 0 0 "[ . 1 . 2]" 1
469 1 21 CYS QB 1 22 GLY H 4.120 . 4.120 3.030 2.356 4.096 . 0 0 "[ . 1 . 2]" 1
470 1 21 CYS QB 1 26 PHE QD 5.340 . 5.340 3.367 2.314 4.582 . 0 0 "[ . 1 . 2]" 1
471 1 21 CYS HB2 1 22 GLY H 4.820 . 4.820 3.368 2.417 4.516 . 0 0 "[ . 1 . 2]" 1
472 1 21 CYS HB3 1 22 GLY H 4.820 . 4.820 3.744 2.497 4.699 . 0 0 "[ . 1 . 2]" 1
473 1 21 CYS SG 1 62 CYS CB 3.100 . 3.100 3.019 2.995 3.053 . 0 0 "[ . 1 . 2]" 1
474 1 21 CYS SG 1 62 CYS SG 2.100 . 2.100 2.024 2.018 2.029 . 0 0 "[ . 1 . 2]" 1
475 1 22 GLY H 1 23 ASP H 4.400 . 4.400 4.096 2.730 4.453 0.053 17 0 "[ . 1 . 2]" 1
476 1 22 GLY QA 1 24 ARG H 4.390 . 4.390 3.388 2.867 3.910 . 0 0 "[ . 1 . 2]" 1
477 1 23 ASP H 1 23 ASP HB2 3.950 . 3.950 2.604 2.135 3.611 . 0 0 "[ . 1 . 2]" 1
478 1 23 ASP H 1 23 ASP QB 3.440 . 3.440 2.290 2.072 2.590 . 0 0 "[ . 1 . 2]" 1
479 1 23 ASP H 1 23 ASP HB3 3.950 . 3.950 2.814 2.274 3.591 . 0 0 "[ . 1 . 2]" 1
480 1 23 ASP H 1 24 ARG H 3.830 . 3.830 2.829 2.493 3.190 . 0 0 "[ . 1 . 2]" 1
481 1 23 ASP HB2 1 24 ARG H 4.670 . 4.670 4.014 2.585 4.468 . 0 0 "[ . 1 . 2]" 1
482 1 23 ASP HB3 1 24 ARG H 4.670 . 4.670 3.699 2.647 4.411 . 0 0 "[ . 1 . 2]" 1
483 1 24 ARG H 1 24 ARG HB2 3.850 . 3.850 2.613 2.179 3.660 . 0 0 "[ . 1 . 2]" 1
484 1 24 ARG H 1 24 ARG HB3 3.850 . 3.850 3.503 2.426 3.698 . 0 0 "[ . 1 . 2]" 1
485 1 24 ARG H 1 24 ARG QD 4.170 . 4.170 3.602 2.217 4.218 0.048 9 0 "[ . 1 . 2]" 1
486 1 24 ARG H 1 24 ARG HE 4.930 . 4.930 4.292 3.064 4.948 0.018 1 0 "[ . 1 . 2]" 1
487 1 24 ARG H 1 24 ARG HG2 3.870 . 3.870 2.760 2.074 3.901 0.031 5 0 "[ . 1 . 2]" 1
488 1 24 ARG H 1 24 ARG HG3 3.870 . 3.870 3.247 2.270 3.881 0.011 12 0 "[ . 1 . 2]" 1
489 1 24 ARG H 1 25 GLY H 3.650 . 3.650 2.530 2.131 2.824 . 0 0 "[ . 1 . 2]" 1
490 1 24 ARG HA 1 24 ARG QD 4.620 . 4.620 3.296 2.149 4.392 . 0 0 "[ . 1 . 2]" 1
491 1 24 ARG HA 1 24 ARG HG2 4.100 . 4.100 3.059 2.412 3.761 . 0 0 "[ . 1 . 2]" 1
492 1 24 ARG HA 1 24 ARG QG 3.600 . 3.600 2.835 2.332 3.389 . 0 0 "[ . 1 . 2]" 1
493 1 24 ARG HA 1 24 ARG HG3 4.100 . 4.100 3.547 2.468 4.095 . 0 0 "[ . 1 . 2]" 1
494 1 24 ARG QB 1 25 GLY H 4.240 . 4.240 3.230 2.883 3.815 . 0 0 "[ . 1 . 2]" 1
495 1 24 ARG QB 1 63 ALA MB 4.380 . 4.380 3.629 2.979 4.266 . 0 0 "[ . 1 . 2]" 1
496 1 24 ARG QB 1 64 THR H 4.580 . 4.580 3.649 2.825 4.547 . 0 0 "[ . 1 . 2]" 1
497 1 24 ARG HB2 1 24 ARG HE 4.170 . 4.170 3.592 2.650 4.114 . 0 0 "[ . 1 . 2]" 1
498 1 24 ARG HB2 1 63 ALA MB 5.040 . 5.040 4.309 3.438 5.050 0.010 19 0 "[ . 1 . 2]" 1
499 1 24 ARG HB3 1 24 ARG HE 4.170 . 4.170 2.856 1.940 4.087 . 0 0 "[ . 1 . 2]" 1
500 1 24 ARG HB3 1 63 ALA MB 5.040 . 5.040 4.028 3.132 5.041 0.001 12 0 "[ . 1 . 2]" 1
501 1 24 ARG HE 1 24 ARG HG2 4.120 . 4.120 3.016 2.169 3.746 . 0 0 "[ . 1 . 2]" 1
502 1 24 ARG HE 1 24 ARG QG 3.600 . 3.600 2.456 2.144 3.293 . 0 0 "[ . 1 . 2]" 1
503 1 24 ARG HE 1 24 ARG HG3 4.120 . 4.120 3.105 2.164 3.697 . 0 0 "[ . 1 . 2]" 1
504 1 25 GLY H 1 26 PHE H 4.510 . 4.510 4.383 4.124 4.525 0.015 9 0 "[ . 1 . 2]" 1
505 1 25 GLY H 1 63 ALA MB 4.630 . 4.630 4.471 4.282 4.638 0.008 8 0 "[ . 1 . 2]" 1
506 1 25 GLY QA 1 26 PHE QD 4.520 . 4.520 3.207 2.771 3.696 . 0 0 "[ . 1 . 2]" 1
507 1 25 GLY QA 1 63 ALA MB 3.980 . 3.980 2.870 2.238 3.197 . 0 0 "[ . 1 . 2]" 1
508 1 25 GLY HA2 1 26 PHE H 3.460 . 3.460 2.392 2.207 2.506 . 0 0 "[ . 1 . 2]" 1
509 1 25 GLY HA3 1 26 PHE H 3.460 . 3.460 2.776 2.476 3.001 . 0 0 "[ . 1 . 2]" 1
510 1 26 PHE H 1 26 PHE QD 4.080 . 4.080 3.213 3.005 3.375 . 0 0 "[ . 1 . 2]" 1
511 1 26 PHE H 1 27 TYR H 4.580 . 4.580 4.380 4.305 4.439 . 0 0 "[ . 1 . 2]" 1
512 1 26 PHE H 1 63 ALA MB 4.070 . 4.070 3.558 3.239 3.898 . 0 0 "[ . 1 . 2]" 1
513 1 26 PHE HA 1 26 PHE QD 4.240 . 4.240 3.760 3.726 3.771 . 0 0 "[ . 1 . 2]" 1
514 1 26 PHE HA 1 63 ALA H 3.630 . 3.630 2.236 2.068 2.400 . 0 0 "[ . 1 . 2]" 1
515 1 26 PHE HA 1 63 ALA MB 3.530 . 3.530 2.942 2.598 3.194 . 0 0 "[ . 1 . 2]" 1
516 1 26 PHE QB 1 27 TYR H 3.690 . 3.690 2.381 2.276 2.553 . 0 0 "[ . 1 . 2]" 1
517 1 26 PHE QB 1 58 LEU QD 5.280 . 5.280 4.350 3.953 4.687 . 0 0 "[ . 1 . 2]" 1
518 1 26 PHE QB 1 62 CYS HA 4.790 . 4.790 2.300 2.034 2.623 . 0 0 "[ . 1 . 2]" 1
519 1 26 PHE QB 1 62 CYS QB 4.700 . 4.700 3.657 3.212 4.223 . 0 0 "[ . 1 . 2]" 1
520 1 26 PHE QB 1 63 ALA MB 4.500 . 4.500 4.302 4.054 4.441 . 0 0 "[ . 1 . 2]" 1
521 1 26 PHE HB2 1 27 TYR H 4.200 . 4.200 2.410 2.298 2.610 . 0 0 "[ . 1 . 2]" 1
522 1 26 PHE HB2 1 63 ALA MB 5.250 . 5.250 5.105 4.804 5.275 0.025 20 0 "[ . 1 . 2]" 1
523 1 26 PHE HB3 1 27 TYR H 4.200 . 4.200 3.709 3.611 3.827 . 0 0 "[ . 1 . 2]" 1
524 1 26 PHE HB3 1 63 ALA MB 5.250 . 5.250 4.633 4.369 4.784 . 0 0 "[ . 1 . 2]" 1
525 1 26 PHE QD 1 27 TYR H 4.290 . 4.290 3.441 3.179 4.061 . 0 0 "[ . 1 . 2]" 1
526 1 26 PHE QD 1 27 TYR HA 4.770 . 4.770 3.565 3.279 4.096 . 0 0 "[ . 1 . 2]" 1
527 1 26 PHE QD 1 63 ALA MB 5.500 . 5.500 5.132 4.828 5.334 . 0 0 "[ . 1 . 2]" 1
528 1 27 TYR H 1 27 TYR QD 4.160 . 4.160 3.103 2.811 3.481 . 0 0 "[ . 1 . 2]" 1
529 1 27 TYR H 1 63 ALA H 4.650 . 4.650 4.351 4.182 4.545 . 0 0 "[ . 1 . 2]" 1
530 1 27 TYR H 1 63 ALA MB 4.760 . 4.760 4.506 4.135 4.772 0.012 20 0 "[ . 1 . 2]" 1
531 1 27 TYR HA 1 27 TYR QD 3.800 . 3.800 2.811 2.447 3.749 . 0 0 "[ . 1 . 2]" 1
532 1 27 TYR HA 1 28 PHE H 3.510 . 3.510 2.309 2.168 2.423 . 0 0 "[ . 1 . 2]" 1
533 1 27 TYR QB 1 28 PHE H 3.760 . 3.760 2.762 2.521 3.209 . 0 0 "[ . 1 . 2]" 1
534 1 27 TYR QB 1 29 SER H 3.850 . 3.850 2.438 2.122 3.228 . 0 0 "[ . 1 . 2]" 1
535 1 27 TYR HB2 1 28 PHE H 4.390 . 4.390 3.839 2.907 4.221 . 0 0 "[ . 1 . 2]" 1
536 1 27 TYR HB2 1 29 SER H 4.470 . 4.470 3.285 2.455 4.475 0.005 16 0 "[ . 1 . 2]" 1
537 1 27 TYR HB3 1 28 PHE H 4.390 . 4.390 2.870 2.573 3.724 . 0 0 "[ . 1 . 2]" 1
538 1 27 TYR HB3 1 29 SER H 4.470 . 4.470 2.594 2.194 4.135 . 0 0 "[ . 1 . 2]" 1
539 1 27 TYR QD 1 28 PHE H 4.300 . 4.300 3.955 3.734 4.315 0.015 5 0 "[ . 1 . 2]" 1
540 1 27 TYR QD 1 32 ALA MB 4.740 . 4.740 3.589 2.502 4.894 0.154 11 0 "[ . 1 . 2]" 1
541 1 27 TYR QD 1 63 ALA HA 3.920 . 3.920 2.888 2.428 3.452 . 0 0 "[ . 1 . 2]" 1
542 1 27 TYR QD 1 63 ALA MB 3.650 . 3.650 3.483 3.014 3.723 0.073 3 0 "[ . 1 . 2]" 1
543 1 27 TYR QE 1 32 ALA MB 4.470 . 4.470 3.030 2.483 4.383 . 0 0 "[ . 1 . 2]" 1
544 1 27 TYR QE 1 63 ALA H 5.170 . 5.170 4.621 4.262 4.900 . 0 0 "[ . 1 . 2]" 1
545 1 27 TYR QE 1 63 ALA HA 3.430 . 3.430 2.304 2.076 2.905 . 0 0 "[ . 1 . 2]" 1
546 1 27 TYR QE 1 63 ALA MB 3.310 . 3.310 2.577 2.272 3.342 0.032 5 0 "[ . 1 . 2]" 1
547 1 28 PHE H 1 28 PHE HB2 4.090 . 4.090 2.157 2.049 2.278 . 0 0 "[ . 1 . 2]" 1
548 1 28 PHE H 1 28 PHE QB 3.480 . 3.480 2.128 2.032 2.222 . 0 0 "[ . 1 . 2]" 1
549 1 28 PHE H 1 28 PHE HB3 4.090 . 4.090 3.275 3.095 3.428 . 0 0 "[ . 1 . 2]" 1
550 1 28 PHE H 1 28 PHE QD 4.310 . 4.310 3.395 2.904 3.873 . 0 0 "[ . 1 . 2]" 1
551 1 28 PHE H 1 29 SER H 3.700 . 3.700 2.411 2.209 2.713 . 0 0 "[ . 1 . 2]" 1
552 1 28 PHE HA 1 28 PHE QD 4.310 . 4.310 2.624 2.405 2.868 . 0 0 "[ . 1 . 2]" 1
553 1 28 PHE HA 1 28 PHE QE 4.770 . 4.770 4.349 4.277 4.436 . 0 0 "[ . 1 . 2]" 1
554 1 28 PHE HA 1 44 ILE MD 5.390 . 5.390 4.647 4.361 5.013 . 0 0 "[ . 1 . 2]" 1
555 1 28 PHE HA 1 44 ILE MG 3.330 . 3.330 2.186 1.934 2.407 . 0 0 "[ . 1 . 2]" 1
556 1 28 PHE QB 1 44 ILE MG 3.630 . 3.630 3.062 2.787 3.265 . 0 0 "[ . 1 . 2]" 1
557 1 28 PHE QB 1 45 VAL QG 4.480 . 4.480 4.117 3.463 4.796 0.316 16 0 "[ . 1 . 2]" 1
558 1 28 PHE HB2 1 29 SER H 4.480 . 4.480 3.644 2.909 4.032 . 0 0 "[ . 1 . 2]" 1
559 1 28 PHE HB3 1 29 SER H 4.480 . 4.480 3.658 2.618 4.017 . 0 0 "[ . 1 . 2]" 1
560 1 28 PHE QD 1 44 ILE MG 3.320 . 3.320 2.663 2.587 2.821 . 0 0 "[ . 1 . 2]" 1
561 1 28 PHE QD 1 45 VAL QG 3.490 . 3.490 2.835 2.211 3.529 0.039 9 0 "[ . 1 . 2]" 1
562 1 28 PHE QE 1 44 ILE MG 4.310 . 4.310 3.048 2.927 3.208 . 0 0 "[ . 1 . 2]" 1
563 1 28 PHE QE 1 45 VAL QG 3.940 . 3.940 2.664 2.224 3.596 . 0 0 "[ . 1 . 2]" 1
564 1 29 SER H 1 29 SER HB2 4.100 . 4.100 3.282 2.458 3.928 . 0 0 "[ . 1 . 2]" 1
565 1 29 SER H 1 29 SER HB3 4.100 . 4.100 3.412 2.833 3.874 . 0 0 "[ . 1 . 2]" 1
566 1 29 SER H 1 30 ARG H 4.630 . 4.630 4.163 2.375 4.604 . 0 0 "[ . 1 . 2]" 1
567 1 29 SER HA 1 30 ARG QG 5.500 . 5.500 3.962 3.612 5.282 . 0 0 "[ . 1 . 2]" 1
568 1 29 SER HA 1 44 ILE MG 5.300 . 5.300 4.516 4.281 4.900 . 0 0 "[ . 1 . 2]" 1
569 1 29 SER HA 1 61 TYR QE 4.900 . 4.900 3.077 2.066 4.706 . 0 0 "[ . 1 . 2]" 1
570 1 29 SER QB 1 30 ARG H 3.750 . 3.750 2.879 2.476 3.767 0.017 16 0 "[ . 1 . 2]" 1
571 1 29 SER HB2 1 30 ARG H 4.360 . 4.360 3.270 2.532 4.096 . 0 0 "[ . 1 . 2]" 1
572 1 29 SER HB3 1 30 ARG H 4.360 . 4.360 3.685 2.519 4.397 0.037 16 0 "[ . 1 . 2]" 1
573 1 30 ARG H 1 30 ARG QB 3.610 . 3.610 2.664 2.462 3.485 . 0 0 "[ . 1 . 2]" 1
574 1 30 ARG H 1 30 ARG QG 3.950 . 3.950 2.397 1.943 3.525 . 0 0 "[ . 1 . 2]" 1
575 1 30 ARG H 1 61 TYR QE 4.620 . 4.620 3.167 2.412 4.262 . 0 0 "[ . 1 . 2]" 1
576 1 30 ARG HA 1 30 ARG QD 4.330 . 4.330 3.045 2.002 3.985 . 0 0 "[ . 1 . 2]" 1
577 1 30 ARG HA 1 30 ARG QG 3.690 . 3.690 2.637 2.166 2.950 . 0 0 "[ . 1 . 2]" 1
578 1 30 ARG HA 1 31 PRO QD 3.480 . 3.480 3.377 2.012 3.632 0.152 2 0 "[ . 1 . 2]" 1
579 1 30 ARG QB 1 31 PRO QD 3.310 . 3.310 2.108 1.945 2.383 . 0 0 "[ . 1 . 2]" 1
580 1 30 ARG HB2 1 30 ARG QD 3.700 . 3.700 2.999 2.169 3.397 . 0 0 "[ . 1 . 2]" 1
581 1 30 ARG HB2 1 31 PRO HD2 4.260 . 4.260 3.014 2.611 4.078 . 0 0 "[ . 1 . 2]" 1
582 1 30 ARG HB2 1 31 PRO HD3 4.260 . 4.260 2.479 1.997 4.310 0.050 11 0 "[ . 1 . 2]" 1
583 1 30 ARG HB3 1 30 ARG QD 3.700 . 3.700 2.392 2.218 3.330 . 0 0 "[ . 1 . 2]" 1
584 1 30 ARG HB3 1 31 PRO HD2 4.260 . 4.260 3.899 2.349 4.263 0.003 17 0 "[ . 1 . 2]" 1
585 1 30 ARG HB3 1 31 PRO HD3 4.260 . 4.260 3.425 2.889 3.695 . 0 0 "[ . 1 . 2]" 1
586 1 30 ARG QD 1 61 TYR QE 4.100 . 4.100 3.346 2.154 4.170 0.070 9 0 "[ . 1 . 2]" 1
587 1 30 ARG HE 1 61 TYR QE 4.650 . 4.650 3.568 2.746 4.663 0.013 7 0 "[ . 1 . 2]" 1
588 1 30 ARG QG 1 31 PRO HD2 4.250 . 4.250 3.837 2.237 4.154 . 0 0 "[ . 1 . 2]" 1
589 1 30 ARG QG 1 31 PRO QD 3.720 . 3.720 3.394 2.071 3.601 . 0 0 "[ . 1 . 2]" 1
590 1 30 ARG QG 1 31 PRO HD3 4.250 . 4.250 3.802 2.444 4.099 . 0 0 "[ . 1 . 2]" 1
591 1 30 ARG QG 1 31 PRO QG 5.120 . 5.120 5.144 3.766 5.330 0.210 2 0 "[ . 1 . 2]" 1
592 1 30 ARG QG 1 61 TYR QD 5.500 . 5.500 3.746 2.663 4.619 . 0 0 "[ . 1 . 2]" 1
593 1 30 ARG QG 1 61 TYR QE 4.520 . 4.520 2.593 2.088 3.416 . 0 0 "[ . 1 . 2]" 1
594 1 31 PRO HA 1 32 ALA H 2.830 . 2.830 2.189 2.027 2.473 . 0 0 "[ . 1 . 2]" 1
595 1 31 PRO QB 1 32 ALA H 3.400 . 3.400 3.145 2.378 3.398 . 0 0 "[ . 1 . 2]" 1
596 1 31 PRO QB 1 32 ALA MB 4.590 . 4.590 4.446 3.940 4.671 0.081 6 0 "[ . 1 . 2]" 1
597 1 31 PRO QB 1 33 SER H 3.980 . 3.980 2.858 2.062 3.488 . 0 0 "[ . 1 . 2]" 1
598 1 31 PRO HB2 1 32 ALA H 3.930 . 3.930 3.374 2.420 3.835 . 0 0 "[ . 1 . 2]" 1
599 1 31 PRO HB3 1 32 ALA H 3.930 . 3.930 3.832 3.031 3.962 0.032 12 0 "[ . 1 . 2]" 1
600 1 32 ALA H 1 32 ALA MB 2.630 . 2.630 2.255 2.171 2.429 . 0 0 "[ . 1 . 2]" 1
601 1 32 ALA H 1 33 SER H 3.470 . 3.470 2.466 1.940 2.980 . 0 0 "[ . 1 . 2]" 1
602 1 32 ALA MB 1 33 SER H 3.360 . 3.360 2.941 2.338 3.506 0.146 5 0 "[ . 1 . 2]" 1
603 1 32 ALA MB 1 33 SER HA 4.340 . 4.340 4.122 3.856 4.368 0.028 8 0 "[ . 1 . 2]" 1
604 1 32 ALA MB 1 33 SER QB 4.730 . 4.730 4.513 4.254 4.911 0.181 4 0 "[ . 1 . 2]" 1
605 1 32 ALA MB 1 34 ARG H 5.500 . 5.500 4.731 2.642 5.557 0.057 2 0 "[ . 1 . 2]" 1
606 1 33 SER H 1 33 SER HB2 3.830 . 3.830 2.948 2.455 3.641 . 0 0 "[ . 1 . 2]" 1
607 1 33 SER H 1 33 SER QB 3.230 . 3.230 2.759 2.258 3.327 0.097 2 0 "[ . 1 . 2]" 1
608 1 33 SER H 1 33 SER HB3 3.830 . 3.830 3.490 2.546 3.847 0.017 2 0 "[ . 1 . 2]" 1
609 1 33 SER H 1 34 ARG H 4.860 . 4.860 4.144 2.881 4.690 . 0 0 "[ . 1 . 2]" 1
610 1 33 SER HA 1 34 ARG H 3.150 . 3.150 2.634 2.120 3.063 . 0 0 "[ . 1 . 2]" 1
611 1 33 SER HA 1 35 VAL MG2 4.860 . 4.860 4.198 2.738 4.739 . 0 0 "[ . 1 . 2]" 1
612 1 33 SER QB 1 34 ARG H 4.010 . 4.010 3.226 2.048 4.026 0.016 8 0 "[ . 1 . 2]" 1
613 1 33 SER QB 1 35 VAL H 4.310 . 4.310 3.291 2.359 4.328 0.018 11 0 "[ . 1 . 2]" 1
614 1 33 SER QB 1 35 VAL MG2 4.050 . 4.050 2.667 2.071 3.714 . 0 0 "[ . 1 . 2]" 1
615 1 33 SER HB2 1 34 ARG H 4.810 . 4.810 3.951 2.741 4.665 . 0 0 "[ . 1 . 2]" 1
616 1 33 SER HB2 1 35 VAL MG2 4.630 . 4.630 3.469 2.123 4.556 . 0 0 "[ . 1 . 2]" 1
617 1 33 SER HB3 1 34 ARG H 4.810 . 4.810 3.512 2.114 4.598 . 0 0 "[ . 1 . 2]" 1
618 1 33 SER HB3 1 35 VAL MG2 4.630 . 4.630 3.066 2.090 4.668 0.038 16 0 "[ . 1 . 2]" 1
619 1 34 ARG H 1 34 ARG HB2 3.770 . 3.770 2.788 2.213 3.214 . 0 0 "[ . 1 . 2]" 1
620 1 34 ARG H 1 34 ARG HB3 3.770 . 3.770 3.296 2.576 3.794 0.024 9 0 "[ . 1 . 2]" 1
621 1 34 ARG H 1 34 ARG QG 4.280 . 4.280 3.936 3.137 4.271 . 0 0 "[ . 1 . 2]" 1
622 1 34 ARG H 1 35 VAL H 3.640 . 3.640 2.824 2.002 3.647 0.007 8 0 "[ . 1 . 2]" 1
623 1 34 ARG H 1 35 VAL MG1 4.910 . 4.910 3.872 2.865 4.920 0.010 11 0 "[ . 1 . 2]" 1
624 1 34 ARG H 1 35 VAL MG2 4.400 . 4.400 3.441 2.429 4.332 . 0 0 "[ . 1 . 2]" 1
625 1 34 ARG HA 1 34 ARG QD 3.980 . 3.980 3.954 3.701 4.043 0.063 5 0 "[ . 1 . 2]" 1
626 1 34 ARG HA 1 34 ARG QG 3.090 . 3.090 2.313 2.135 2.437 . 0 0 "[ . 1 . 2]" 1
627 1 34 ARG HA 1 35 VAL H 3.170 . 3.170 2.867 2.603 3.211 0.041 16 0 "[ . 1 . 2]" 1
628 1 34 ARG HA 1 35 VAL MG1 4.580 . 4.580 4.531 4.378 4.611 0.031 3 0 "[ . 1 . 2]" 1
629 1 34 ARG HA 1 35 VAL MG2 4.770 . 4.770 4.517 4.305 4.819 0.049 16 0 "[ . 1 . 2]" 1
630 1 34 ARG QB 1 34 ARG QD 2.700 . 2.700 2.133 2.069 2.325 . 0 0 "[ . 1 . 2]" 1
631 1 34 ARG QB 1 34 ARG QG 2.410 . 2.410 2.108 2.068 2.116 . 0 0 "[ . 1 . 2]" 1
632 1 34 ARG QB 1 35 VAL H 4.130 . 4.130 3.860 3.480 4.025 . 0 0 "[ . 1 . 2]" 1
633 1 34 ARG QB 1 35 VAL MG1 3.940 . 3.940 3.509 3.041 3.905 . 0 0 "[ . 1 . 2]" 1
634 1 34 ARG QB 1 35 VAL MG2 5.100 . 5.100 4.368 3.534 4.822 . 0 0 "[ . 1 . 2]" 1
635 1 34 ARG HB2 1 34 ARG QD 3.140 . 3.140 2.444 2.175 2.877 . 0 0 "[ . 1 . 2]" 1
636 1 34 ARG HB2 1 35 VAL H 4.890 . 4.890 4.473 3.911 4.676 . 0 0 "[ . 1 . 2]" 1
637 1 34 ARG HB3 1 34 ARG QD 3.140 . 3.140 2.388 2.163 2.684 . 0 0 "[ . 1 . 2]" 1
638 1 34 ARG HB3 1 35 VAL H 4.890 . 4.890 4.242 3.679 4.440 . 0 0 "[ . 1 . 2]" 1
639 1 34 ARG QG 1 35 VAL H 4.680 . 4.680 4.441 4.192 4.607 . 0 0 "[ . 1 . 2]" 1
640 1 35 VAL H 1 35 VAL HB 3.930 . 3.930 3.831 3.755 3.886 . 0 0 "[ . 1 . 2]" 1
641 1 35 VAL H 1 35 VAL MG1 3.740 . 3.740 3.184 2.864 3.513 . 0 0 "[ . 1 . 2]" 1
642 1 35 VAL H 1 35 VAL MG2 3.130 . 3.130 2.263 2.113 2.374 . 0 0 "[ . 1 . 2]" 1
643 1 35 VAL H 1 36 SER H 4.300 . 4.300 3.989 2.250 4.337 0.037 18 0 "[ . 1 . 2]" 1
644 1 35 VAL H 1 36 SER QB 5.340 . 5.340 5.018 4.329 5.367 0.027 19 0 "[ . 1 . 2]" 1
645 1 35 VAL HA 1 35 VAL MG1 3.120 . 3.120 2.299 2.198 2.371 . 0 0 "[ . 1 . 2]" 1
646 1 35 VAL HA 1 35 VAL MG2 3.290 . 3.290 3.258 3.222 3.272 . 0 0 "[ . 1 . 2]" 1
647 1 35 VAL HA 1 36 SER H 2.890 . 2.890 2.325 2.051 2.894 0.004 7 0 "[ . 1 . 2]" 1
648 1 35 VAL HB 1 36 SER H 4.420 . 4.420 3.149 1.927 4.439 0.019 16 0 "[ . 1 . 2]" 1
649 1 35 VAL MG1 1 36 SER H 4.120 . 4.120 3.797 3.428 4.209 0.089 16 0 "[ . 1 . 2]" 1
650 1 35 VAL MG1 1 37 ARG QG 4.930 . 4.930 4.392 3.147 5.046 0.116 19 0 "[ . 1 . 2]" 1
651 1 35 VAL MG2 1 36 SER H 4.340 . 4.340 3.847 3.093 4.372 0.032 1 0 "[ . 1 . 2]" 1
652 1 35 VAL MG2 1 36 SER HA 5.440 . 5.440 4.184 3.522 5.058 . 0 0 "[ . 1 . 2]" 1
653 1 35 VAL MG2 1 37 ARG QG 4.820 . 4.820 3.625 2.207 4.851 0.031 4 0 "[ . 1 . 2]" 1
654 1 36 SER H 1 36 SER HB2 3.780 . 3.780 2.990 2.557 3.660 . 0 0 "[ . 1 . 2]" 1
655 1 36 SER H 1 36 SER QB 3.170 . 3.170 2.566 2.226 2.870 . 0 0 "[ . 1 . 2]" 1
656 1 36 SER H 1 36 SER HB3 3.780 . 3.780 2.893 2.448 3.640 . 0 0 "[ . 1 . 2]" 1
657 1 36 SER H 1 37 ARG H 4.420 . 4.420 3.819 2.377 4.438 0.018 5 0 "[ . 1 . 2]" 1
658 1 36 SER HA 1 37 ARG H 3.180 . 3.180 2.501 2.164 3.173 . 0 0 "[ . 1 . 2]" 1
659 1 36 SER QB 1 37 ARG H 4.150 . 4.150 3.740 2.503 4.055 . 0 0 "[ . 1 . 2]" 1
660 1 36 SER HB2 1 37 ARG H 4.770 . 4.770 4.316 3.516 4.668 . 0 0 "[ . 1 . 2]" 1
661 1 36 SER HB3 1 37 ARG H 4.770 . 4.770 4.136 2.562 4.628 . 0 0 "[ . 1 . 2]" 1
662 1 37 ARG H 1 37 ARG HB2 3.800 . 3.800 2.812 2.315 3.843 0.043 4 0 "[ . 1 . 2]" 1
663 1 37 ARG H 1 37 ARG HB3 3.800 . 3.800 3.599 2.720 3.841 0.041 19 0 "[ . 1 . 2]" 1
664 1 37 ARG H 1 37 ARG QG 3.780 . 3.780 2.685 1.799 3.633 . 0 0 "[ . 1 . 2]" 1
665 1 37 ARG HA 1 38 ARG H 3.290 . 3.290 2.547 2.125 3.319 0.029 20 0 "[ . 1 . 2]" 1
666 1 37 ARG QB 1 38 ARG H 4.280 . 4.280 2.909 2.094 4.062 . 0 0 "[ . 1 . 2]" 1
667 1 37 ARG QB 1 39 SER H 4.710 . 4.710 3.264 2.198 4.729 0.019 3 0 "[ . 1 . 2]" 1
668 1 38 ARG H 1 38 ARG QB 3.520 . 3.520 2.847 2.385 3.455 . 0 0 "[ . 1 . 2]" 1
669 1 38 ARG H 1 38 ARG QD 4.810 . 4.810 4.261 3.845 4.810 0.000 18 0 "[ . 1 . 2]" 1
670 1 38 ARG H 1 38 ARG QG 3.620 . 3.620 2.500 2.018 3.220 . 0 0 "[ . 1 . 2]" 1
671 1 38 ARG H 1 39 SER H 3.380 . 3.380 2.758 2.056 3.397 0.017 5 0 "[ . 1 . 2]" 1
672 1 38 ARG QB 1 39 SER H 4.190 . 4.190 3.695 2.553 4.056 . 0 0 "[ . 1 . 2]" 1
673 1 38 ARG HB2 1 38 ARG QG 2.770 . 2.770 2.374 2.163 2.561 . 0 0 "[ . 1 . 2]" 1
674 1 38 ARG HB2 1 39 SER H 5.060 . 5.060 4.019 2.610 4.503 . 0 0 "[ . 1 . 2]" 1
675 1 38 ARG HB3 1 38 ARG QG 2.770 . 2.770 2.370 2.191 2.455 . 0 0 "[ . 1 . 2]" 1
676 1 38 ARG HB3 1 39 SER H 5.060 . 5.060 4.378 3.621 4.628 . 0 0 "[ . 1 . 2]" 1
677 1 38 ARG QG 1 39 SER H 4.600 . 4.600 4.052 1.890 4.615 0.015 4 0 "[ . 1 . 2]" 1
678 1 39 SER H 1 39 SER QB 3.100 . 3.100 2.759 2.284 3.172 0.072 11 0 "[ . 1 . 2]" 1
679 1 39 SER HA 1 40 PRO HD2 3.540 . 3.540 2.375 2.212 2.616 . 0 0 "[ . 1 . 2]" 1
680 1 39 SER HA 1 40 PRO HD3 3.540 . 3.540 2.714 2.330 3.196 . 0 0 "[ . 1 . 2]" 1
681 1 39 SER HA 1 40 PRO QG 4.080 . 4.080 4.080 4.025 4.129 0.049 11 0 "[ . 1 . 2]" 1
682 1 40 PRO HA 1 41 GLN H 2.870 . 2.870 2.346 2.180 2.503 . 0 0 "[ . 1 . 2]" 1
683 1 40 PRO QB 1 41 GLN H 3.640 . 3.640 2.824 2.477 3.463 . 0 0 "[ . 1 . 2]" 1
684 1 40 PRO QG 1 41 GLN H 4.710 . 4.710 4.265 3.956 4.683 . 0 0 "[ . 1 . 2]" 1
685 1 41 GLN H 1 41 GLN HB2 3.880 . 3.880 2.722 2.105 3.900 0.020 9 0 "[ . 1 . 2]" 1
686 1 41 GLN H 1 41 GLN QB 3.040 . 3.040 2.529 2.084 3.098 0.058 9 0 "[ . 1 . 2]" 1
687 1 41 GLN H 1 41 GLN HB3 3.880 . 3.880 3.435 2.385 3.870 . 0 0 "[ . 1 . 2]" 1
688 1 41 GLN H 1 41 GLN QG 4.010 . 4.010 3.223 2.342 4.049 0.039 12 0 "[ . 1 . 2]" 1
689 1 41 GLN H 1 42 ARG H 4.570 . 4.570 4.018 1.832 4.590 0.020 18 0 "[ . 1 . 2]" 1
690 1 41 GLN HA 1 41 GLN QG 3.520 . 3.520 2.576 2.355 3.395 . 0 0 "[ . 1 . 2]" 1
691 1 41 GLN QB 1 42 ARG H 3.610 . 3.610 2.532 2.183 3.642 0.032 5 0 "[ . 1 . 2]" 1
692 1 41 GLN HB2 1 42 ARG H 4.460 . 4.460 3.622 2.441 4.112 . 0 0 "[ . 1 . 2]" 1
693 1 41 GLN HB3 1 42 ARG H 4.460 . 4.460 2.715 2.207 4.065 . 0 0 "[ . 1 . 2]" 1
694 1 41 GLN HE22 1 41 GLN QG 3.810 . 3.810 2.224 2.111 2.835 . 0 0 "[ . 1 . 2]" 1
695 1 41 GLN QG 1 42 ARG H 4.060 . 4.060 3.638 1.906 4.075 0.015 15 0 "[ . 1 . 2]" 1
696 1 42 ARG H 1 42 ARG HB2 3.810 . 3.810 2.968 2.250 3.833 0.023 11 0 "[ . 1 . 2]" 1
697 1 42 ARG H 1 42 ARG QB 3.340 . 3.340 2.626 2.226 3.279 . 0 0 "[ . 1 . 2]" 1
698 1 42 ARG H 1 42 ARG HB3 3.810 . 3.810 3.418 2.588 3.839 0.029 20 0 "[ . 1 . 2]" 1
699 1 42 ARG H 1 42 ARG QD 4.380 . 4.380 4.092 3.468 4.414 0.034 20 0 "[ . 1 . 2]" 1
700 1 42 ARG H 1 42 ARG QG 3.500 . 3.500 2.474 2.078 3.332 . 0 0 "[ . 1 . 2]" 1
701 1 42 ARG HA 1 42 ARG QG 3.580 . 3.580 2.808 2.300 3.403 . 0 0 "[ . 1 . 2]" 1
702 1 42 ARG HA 1 43 GLY H 3.530 . 3.530 2.587 2.159 3.551 0.021 16 0 "[ . 1 . 2]" 1
703 1 42 ARG QB 1 42 ARG HE 4.080 . 4.080 3.490 1.876 4.085 0.005 19 0 "[ . 1 . 2]" 1
704 1 42 ARG QB 1 43 GLY H 3.430 . 3.430 2.255 1.799 2.755 . 0 0 "[ . 1 . 2]" 1
705 1 42 ARG QB 1 46 GLU QG 4.270 . 4.270 2.685 2.098 4.033 . 0 0 "[ . 1 . 2]" 1
706 1 42 ARG HB2 1 42 ARG QD 3.510 . 3.510 2.417 2.135 3.329 . 0 0 "[ . 1 . 2]" 1
707 1 42 ARG HB2 1 42 ARG HE 4.740 . 4.740 4.135 2.327 4.743 0.003 16 0 "[ . 1 . 2]" 1
708 1 42 ARG HB2 1 43 GLY H 3.970 . 3.970 2.956 1.892 3.717 . 0 0 "[ . 1 . 2]" 1
709 1 42 ARG HB3 1 42 ARG QD 3.510 . 3.510 2.492 2.059 3.189 . 0 0 "[ . 1 . 2]" 1
710 1 42 ARG HB3 1 42 ARG HE 4.740 . 4.740 3.864 1.979 4.743 0.003 19 0 "[ . 1 . 2]" 1
711 1 42 ARG HB3 1 43 GLY H 3.970 . 3.970 2.774 1.971 3.980 0.010 5 0 "[ . 1 . 2]" 1
712 1 42 ARG QD 1 43 GLY H 4.480 . 4.480 4.143 3.279 4.515 0.035 3 0 "[ . 1 . 2]" 1
713 1 42 ARG QD 1 46 GLU QB 5.100 . 5.100 4.409 3.003 5.138 0.038 5 0 "[ . 1 . 2]" 1
714 1 42 ARG QG 1 43 GLY H 4.040 . 4.040 3.793 3.074 4.069 0.029 9 0 "[ . 1 . 2]" 1
715 1 42 ARG QG 1 46 GLU QG 4.860 . 4.860 4.083 3.032 4.926 0.066 5 0 "[ . 1 . 2]" 1
716 1 43 GLY H 1 44 ILE H 4.630 . 4.630 3.878 2.654 4.541 . 0 0 "[ . 1 . 2]" 1
717 1 43 GLY H 1 46 GLU H 4.570 . 4.570 3.136 2.537 3.772 . 0 0 "[ . 1 . 2]" 1
718 1 43 GLY H 1 46 GLU QB 4.040 . 4.040 3.308 2.133 4.088 0.048 3 0 "[ . 1 . 2]" 1
719 1 43 GLY H 1 46 GLU QG 4.570 . 4.570 2.935 1.951 4.575 0.005 3 0 "[ . 1 . 2]" 1
720 1 43 GLY QA 1 44 ILE MG 4.200 . 4.200 3.802 3.459 4.156 . 0 0 "[ . 1 . 2]" 1
721 1 44 ILE H 1 44 ILE HB 4.070 . 4.070 2.476 2.365 2.559 . 0 0 "[ . 1 . 2]" 1
722 1 44 ILE H 1 44 ILE MD 4.600 . 4.600 4.170 4.040 4.267 . 0 0 "[ . 1 . 2]" 1
723 1 44 ILE H 1 44 ILE HG12 4.940 . 4.940 4.640 4.576 4.678 . 0 0 "[ . 1 . 2]" 1
724 1 44 ILE H 1 44 ILE HG13 4.940 . 4.940 4.490 4.445 4.527 . 0 0 "[ . 1 . 2]" 1
725 1 44 ILE H 1 44 ILE MG 3.280 . 3.280 2.144 1.957 2.254 . 0 0 "[ . 1 . 2]" 1
726 1 44 ILE H 1 45 VAL QG 5.150 . 5.150 3.855 3.522 4.183 . 0 0 "[ . 1 . 2]" 1
727 1 44 ILE H 1 61 TYR QE 4.260 . 4.260 2.889 2.378 3.187 . 0 0 "[ . 1 . 2]" 1
728 1 44 ILE HA 1 44 ILE MD 3.480 . 3.480 2.362 2.271 2.567 . 0 0 "[ . 1 . 2]" 1
729 1 44 ILE HA 1 44 ILE HG12 4.220 . 4.220 3.818 3.757 3.873 . 0 0 "[ . 1 . 2]" 1
730 1 44 ILE HA 1 44 ILE QG 3.600 . 3.600 2.819 2.695 2.932 . 0 0 "[ . 1 . 2]" 1
731 1 44 ILE HA 1 44 ILE HG13 4.220 . 4.220 2.904 2.762 3.041 . 0 0 "[ . 1 . 2]" 1
732 1 44 ILE HA 1 47 GLU H 4.850 . 4.850 3.523 3.355 3.872 . 0 0 "[ . 1 . 2]" 1
733 1 44 ILE HA 1 47 GLU QB 4.740 . 4.740 3.271 2.428 4.133 . 0 0 "[ . 1 . 2]" 1
734 1 44 ILE HA 1 61 TYR QD 5.110 . 5.110 3.955 3.680 4.248 . 0 0 "[ . 1 . 2]" 1
735 1 44 ILE HA 1 61 TYR QE 5.040 . 5.040 3.241 2.974 3.760 . 0 0 "[ . 1 . 2]" 1
736 1 44 ILE HB 1 45 VAL H 4.490 . 4.490 4.035 3.944 4.107 . 0 0 "[ . 1 . 2]" 1
737 1 44 ILE HB 1 61 TYR QE 4.990 . 4.990 3.673 3.078 3.966 . 0 0 "[ . 1 . 2]" 1
738 1 44 ILE MD 1 44 ILE MG 3.260 . 3.260 3.194 3.131 3.248 . 0 0 "[ . 1 . 2]" 1
739 1 44 ILE MD 1 45 VAL HA 5.500 . 5.500 5.141 4.842 5.369 . 0 0 "[ . 1 . 2]" 1
740 1 44 ILE MD 1 47 GLU H 5.500 . 5.500 4.843 4.578 5.010 . 0 0 "[ . 1 . 2]" 1
741 1 44 ILE MD 1 47 GLU QB 4.690 . 4.690 3.685 3.037 4.688 . 0 0 "[ . 1 . 2]" 1
742 1 44 ILE MD 1 48 CYS H 5.500 . 5.500 4.313 4.088 4.624 . 0 0 "[ . 1 . 2]" 1
743 1 44 ILE MD 1 48 CYS QB 4.470 . 4.470 3.525 3.273 3.916 . 0 0 "[ . 1 . 2]" 1
744 1 44 ILE MD 1 57 LEU QD 3.330 . 3.330 3.336 2.895 3.660 0.330 16 0 "[ . 1 . 2]" 1
745 1 44 ILE MD 1 58 LEU H 4.790 . 4.790 4.683 4.185 4.820 0.030 8 0 "[ . 1 . 2]" 1
746 1 44 ILE MD 1 58 LEU HA 3.540 . 3.540 2.551 2.204 2.712 . 0 0 "[ . 1 . 2]" 1
747 1 44 ILE MD 1 58 LEU HB2 4.520 . 4.520 3.664 2.900 3.979 . 0 0 "[ . 1 . 2]" 1
748 1 44 ILE MD 1 58 LEU QB 3.850 . 3.850 3.446 2.833 3.672 . 0 0 "[ . 1 . 2]" 1
749 1 44 ILE MD 1 58 LEU HB3 4.520 . 4.520 4.225 3.973 4.330 . 0 0 "[ . 1 . 2]" 1
750 1 44 ILE MD 1 58 LEU MD1 4.100 . 4.100 3.359 2.933 3.492 . 0 0 "[ . 1 . 2]" 1
751 1 44 ILE MD 1 58 LEU QD 2.670 . 2.670 2.220 2.024 2.789 0.119 5 0 "[ . 1 . 2]" 1
752 1 44 ILE MD 1 58 LEU MD2 4.100 . 4.100 2.318 2.037 3.333 . 0 0 "[ . 1 . 2]" 1
753 1 44 ILE MD 1 58 LEU HG 3.290 . 3.290 2.025 1.904 2.175 . 0 0 "[ . 1 . 2]" 1
754 1 44 ILE MD 1 61 TYR HA 5.110 . 5.110 4.832 4.687 4.934 . 0 0 "[ . 1 . 2]" 1
755 1 44 ILE MD 1 61 TYR HB2 4.210 . 4.210 2.458 2.348 2.621 . 0 0 "[ . 1 . 2]" 1
756 1 44 ILE MD 1 61 TYR QB 3.600 . 3.600 2.389 2.303 2.525 . 0 0 "[ . 1 . 2]" 1
757 1 44 ILE MD 1 61 TYR HB3 4.210 . 4.210 3.268 3.063 3.377 . 0 0 "[ . 1 . 2]" 1
758 1 44 ILE MD 1 61 TYR QD 3.500 . 3.500 2.652 2.349 3.017 . 0 0 "[ . 1 . 2]" 1
759 1 44 ILE MD 1 61 TYR QE 4.110 . 4.110 3.231 2.897 3.843 . 0 0 "[ . 1 . 2]" 1
760 1 44 ILE MD 1 62 CYS H 5.500 . 5.500 5.507 5.330 5.578 0.078 12 0 "[ . 1 . 2]" 1
761 1 44 ILE QG 1 44 ILE MG 3.270 . 3.270 2.047 2.021 2.078 . 0 0 "[ . 1 . 2]" 1
762 1 44 ILE QG 1 45 VAL H 4.440 . 4.440 3.819 3.671 3.983 . 0 0 "[ . 1 . 2]" 1
763 1 44 ILE QG 1 61 TYR QE 5.340 . 5.340 4.801 4.567 5.160 . 0 0 "[ . 1 . 2]" 1
764 1 44 ILE HG12 1 45 VAL H 5.040 . 5.040 4.776 4.588 4.927 . 0 0 "[ . 1 . 2]" 1
765 1 44 ILE HG13 1 45 VAL H 5.040 . 5.040 4.018 3.847 4.209 . 0 0 "[ . 1 . 2]" 1
766 1 44 ILE MG 1 45 VAL H 3.390 . 3.390 2.229 2.088 2.357 . 0 0 "[ . 1 . 2]" 1
767 1 44 ILE MG 1 45 VAL HA 4.440 . 4.440 3.287 3.181 3.489 . 0 0 "[ . 1 . 2]" 1
768 1 44 ILE MG 1 45 VAL HB 4.260 . 4.260 3.823 3.046 4.357 0.097 20 0 "[ . 1 . 2]" 1
769 1 44 ILE MG 1 45 VAL QG 2.950 . 2.950 2.608 2.132 3.315 0.365 4 0 "[ . 1 . 2]" 1
770 1 44 ILE MG 1 46 GLU H 4.410 . 4.410 4.386 4.197 4.467 0.057 5 0 "[ . 1 . 2]" 1
771 1 44 ILE MG 1 61 TYR QB 4.980 . 4.980 4.126 3.715 4.476 . 0 0 "[ . 1 . 2]" 1
772 1 44 ILE MG 1 61 TYR QD 4.700 . 4.700 4.090 3.504 4.312 . 0 0 "[ . 1 . 2]" 1
773 1 44 ILE MG 1 61 TYR QE 4.870 . 4.870 4.360 3.672 4.687 . 0 0 "[ . 1 . 2]" 1
774 1 45 VAL H 1 45 VAL HB 3.660 . 3.660 2.828 2.431 3.637 . 0 0 "[ . 1 . 2]" 1
775 1 45 VAL H 1 45 VAL MG1 3.840 . 3.840 2.725 1.758 3.822 . 0 0 "[ . 1 . 2]" 1
776 1 45 VAL H 1 45 VAL QG 2.920 . 2.920 1.958 1.750 2.112 . 0 0 "[ . 1 . 2]" 1
777 1 45 VAL H 1 45 VAL MG2 3.840 . 3.840 2.710 1.914 3.811 . 0 0 "[ . 1 . 2]" 1
778 1 45 VAL H 1 46 GLU H 3.640 . 3.640 2.677 2.491 2.805 . 0 0 "[ . 1 . 2]" 1
779 1 45 VAL H 1 61 TYR QE 5.500 . 5.500 5.294 5.103 5.501 0.001 10 0 "[ . 1 . 2]" 1
780 1 45 VAL HA 1 45 VAL MG1 3.230 . 3.230 2.708 2.346 3.259 0.029 16 0 "[ . 1 . 2]" 1
781 1 45 VAL HA 1 45 VAL QG 2.790 . 2.790 2.260 2.136 2.635 . 0 0 "[ . 1 . 2]" 1
782 1 45 VAL HA 1 45 VAL MG2 3.230 . 3.230 2.604 2.333 3.245 0.015 6 0 "[ . 1 . 2]" 1
783 1 45 VAL HA 1 49 CYS H 4.280 . 4.280 3.190 2.765 3.553 . 0 0 "[ . 1 . 2]" 1
784 1 45 VAL HA 1 49 CYS HB2 4.450 . 4.450 3.276 2.850 3.602 . 0 0 "[ . 1 . 2]" 1
785 1 45 VAL HA 1 49 CYS HB3 4.450 . 4.450 3.236 2.670 3.900 . 0 0 "[ . 1 . 2]" 1
786 1 45 VAL HB 1 46 GLU H 4.310 . 4.310 3.576 2.665 4.333 0.023 15 0 "[ . 1 . 2]" 1
787 1 45 VAL HB 1 46 GLU HA 5.500 . 5.500 4.814 4.160 5.572 0.072 16 0 "[ . 1 . 2]" 1
788 1 45 VAL QG 1 46 GLU H 3.460 . 3.460 2.787 2.223 3.438 . 0 0 "[ . 1 . 2]" 1
789 1 45 VAL QG 1 46 GLU HA 4.140 . 4.140 3.297 3.030 3.764 . 0 0 "[ . 1 . 2]" 1
790 1 45 VAL QG 1 46 GLU QG 4.120 . 4.120 2.964 2.125 4.207 0.087 11 0 "[ . 1 . 2]" 1
791 1 45 VAL QG 1 49 CYS H 4.420 . 4.420 3.781 3.508 4.110 . 0 0 "[ . 1 . 2]" 1
792 1 45 VAL QG 1 49 CYS HA 5.130 . 5.130 4.726 4.490 5.233 0.103 15 0 "[ . 1 . 2]" 1
793 1 45 VAL QG 1 49 CYS QB 3.210 . 3.210 2.349 2.079 2.987 . 0 0 "[ . 1 . 2]" 1
794 1 45 VAL QG 1 50 PHE H 4.170 . 4.170 3.672 3.412 4.080 . 0 0 "[ . 1 . 2]" 1
795 1 45 VAL QG 1 50 PHE QB 5.000 . 5.000 4.260 4.043 4.596 . 0 0 "[ . 1 . 2]" 1
796 1 45 VAL QG 1 50 PHE QD 3.680 . 3.680 2.620 2.326 3.460 . 0 0 "[ . 1 . 2]" 1
797 1 45 VAL QG 1 50 PHE QE 3.420 . 3.420 2.359 2.154 2.948 . 0 0 "[ . 1 . 2]" 1
798 1 45 VAL QG 1 50 PHE HZ 4.950 . 4.950 3.969 2.903 4.493 . 0 0 "[ . 1 . 2]" 1
799 1 45 VAL QG 1 51 ARG H 5.440 . 5.440 5.436 5.240 5.626 0.186 20 0 "[ . 1 . 2]" 1
800 1 45 VAL MG1 1 46 GLU H 4.130 . 4.130 3.288 2.246 4.082 . 0 0 "[ . 1 . 2]" 1
801 1 45 VAL MG1 1 49 CYS H 5.500 . 5.500 4.467 3.730 5.229 . 0 0 "[ . 1 . 2]" 1
802 1 45 VAL MG2 1 46 GLU H 4.130 . 4.130 3.499 2.522 3.901 . 0 0 "[ . 1 . 2]" 1
803 1 45 VAL MG2 1 49 CYS H 5.500 . 5.500 4.503 3.594 5.288 . 0 0 "[ . 1 . 2]" 1
804 1 46 GLU H 1 46 GLU HB2 3.670 . 3.670 2.364 2.094 2.480 . 0 0 "[ . 1 . 2]" 1
805 1 46 GLU H 1 46 GLU QB 3.180 . 3.180 2.332 2.076 2.438 . 0 0 "[ . 1 . 2]" 1
806 1 46 GLU H 1 46 GLU HB3 3.670 . 3.670 3.580 3.413 3.632 . 0 0 "[ . 1 . 2]" 1
807 1 46 GLU H 1 46 GLU HG2 4.290 . 4.290 3.687 3.390 4.096 . 0 0 "[ . 1 . 2]" 1
808 1 46 GLU H 1 46 GLU QG 3.540 . 3.540 2.531 2.123 3.186 . 0 0 "[ . 1 . 2]" 1
809 1 46 GLU H 1 46 GLU HG3 4.290 . 4.290 2.592 2.146 3.443 . 0 0 "[ . 1 . 2]" 1
810 1 46 GLU H 1 47 GLU H 3.950 . 3.950 2.537 2.388 2.649 . 0 0 "[ . 1 . 2]" 1
811 1 46 GLU HA 1 46 GLU HG2 3.690 . 3.690 2.456 2.073 3.329 . 0 0 "[ . 1 . 2]" 1
812 1 46 GLU HA 1 46 GLU HG3 3.690 . 3.690 2.941 2.310 3.246 . 0 0 "[ . 1 . 2]" 1
813 1 46 GLU HA 1 50 PHE H 4.120 . 4.120 3.064 2.792 3.340 . 0 0 "[ . 1 . 2]" 1
814 1 46 GLU HA 1 50 PHE HB2 4.420 . 4.420 2.335 2.109 2.729 . 0 0 "[ . 1 . 2]" 1
815 1 46 GLU HA 1 50 PHE QB 3.730 . 3.730 2.318 2.098 2.703 . 0 0 "[ . 1 . 2]" 1
816 1 46 GLU HA 1 50 PHE HB3 4.420 . 4.420 3.955 3.755 4.377 . 0 0 "[ . 1 . 2]" 1
817 1 46 GLU HA 1 50 PHE QD 3.660 . 3.660 2.087 1.982 2.303 . 0 0 "[ . 1 . 2]" 1
818 1 46 GLU HA 1 50 PHE QE 4.470 . 4.470 4.056 3.804 4.302 . 0 0 "[ . 1 . 2]" 1
819 1 46 GLU HA 1 51 ARG H 4.490 . 4.490 4.415 4.103 4.510 0.020 16 0 "[ . 1 . 2]" 1
820 1 46 GLU QB 1 47 GLU H 3.720 . 3.720 2.745 2.560 2.878 . 0 0 "[ . 1 . 2]" 1
821 1 46 GLU QB 1 50 PHE QD 4.550 . 4.550 4.005 3.279 4.286 . 0 0 "[ . 1 . 2]" 1
822 1 46 GLU HB2 1 47 GLU H 4.290 . 4.290 2.849 2.612 3.069 . 0 0 "[ . 1 . 2]" 1
823 1 46 GLU HB3 1 47 GLU H 4.290 . 4.290 3.667 3.188 3.818 . 0 0 "[ . 1 . 2]" 1
824 1 46 GLU QG 1 47 GLU H 4.720 . 4.720 4.240 4.032 4.490 . 0 0 "[ . 1 . 2]" 1
825 1 46 GLU QG 1 50 PHE QB 4.980 . 4.980 3.637 2.898 4.075 . 0 0 "[ . 1 . 2]" 1
826 1 46 GLU QG 1 50 PHE QD 3.790 . 3.790 3.049 2.216 3.443 . 0 0 "[ . 1 . 2]" 1
827 1 46 GLU QG 1 50 PHE QE 4.230 . 4.230 3.693 2.725 4.178 . 0 0 "[ . 1 . 2]" 1
828 1 46 GLU HG2 1 47 GLU H 5.500 . 5.500 5.086 4.981 5.379 . 0 0 "[ . 1 . 2]" 1
829 1 46 GLU HG2 1 50 PHE QD 4.530 . 4.530 3.256 2.241 4.494 . 0 0 "[ . 1 . 2]" 1
830 1 46 GLU HG3 1 47 GLU H 5.500 . 5.500 4.556 4.256 5.088 . 0 0 "[ . 1 . 2]" 1
831 1 46 GLU HG3 1 50 PHE QD 4.530 . 4.530 3.918 3.165 4.402 . 0 0 "[ . 1 . 2]" 1
832 1 47 GLU H 1 47 GLU HB2 4.190 . 4.190 2.459 2.068 3.639 . 0 0 "[ . 1 . 2]" 1
833 1 47 GLU H 1 47 GLU HB3 4.190 . 4.190 3.418 2.551 3.671 . 0 0 "[ . 1 . 2]" 1
834 1 47 GLU H 1 47 GLU HG2 4.810 . 4.810 3.419 1.999 4.605 . 0 0 "[ . 1 . 2]" 1
835 1 47 GLU H 1 47 GLU HG3 4.810 . 4.810 3.649 2.409 4.540 . 0 0 "[ . 1 . 2]" 1
836 1 47 GLU H 1 48 CYS H 4.050 . 4.050 2.489 2.342 2.649 . 0 0 "[ . 1 . 2]" 1
837 1 47 GLU H 1 57 LEU QD 4.960 . 4.960 4.697 4.260 5.069 0.109 16 0 "[ . 1 . 2]" 1
838 1 47 GLU HA 1 47 GLU HG2 4.050 . 4.050 3.193 2.350 3.696 . 0 0 "[ . 1 . 2]" 1
839 1 47 GLU HA 1 47 GLU QG 3.480 . 3.480 2.590 2.010 3.333 . 0 0 "[ . 1 . 2]" 1
840 1 47 GLU HA 1 47 GLU HG3 4.050 . 4.050 3.040 2.027 3.838 . 0 0 "[ . 1 . 2]" 1
841 1 47 GLU QB 1 47 GLU QG 2.250 . 2.250 2.043 1.989 2.121 . 0 0 "[ . 1 . 2]" 1
842 1 47 GLU QB 1 57 LEU QD 3.000 . 3.000 2.261 2.095 2.693 . 0 0 "[ . 1 . 2]" 1
843 1 47 GLU HB2 1 57 LEU QD 3.790 . 3.790 2.887 2.433 3.319 . 0 0 "[ . 1 . 2]" 1
844 1 47 GLU HB3 1 57 LEU QD 3.790 . 3.790 2.442 2.145 3.587 . 0 0 "[ . 1 . 2]" 1
845 1 47 GLU QG 1 57 LEU QD 3.360 . 3.360 2.415 1.930 3.477 0.117 9 0 "[ . 1 . 2]" 1
846 1 47 GLU HG2 1 57 LEU QD 4.080 . 4.080 3.014 1.962 3.879 . 0 0 "[ . 1 . 2]" 1
847 1 47 GLU HG3 1 57 LEU QD 4.080 . 4.080 2.906 2.137 3.971 . 0 0 "[ . 1 . 2]" 1
848 1 48 CYS CB 1 53 CYS SG 3.100 . 3.100 3.037 3.022 3.059 . 0 0 "[ . 1 . 2]" 1
849 1 48 CYS SG 1 53 CYS CB 3.100 . 3.100 3.046 3.030 3.059 . 0 0 "[ . 1 . 2]" 1
850 1 48 CYS SG 1 53 CYS SG 2.100 . 2.100 2.032 2.028 2.036 . 0 0 "[ . 1 . 2]" 1
851 1 49 CYS H 1 50 PHE H 3.600 . 3.600 2.179 2.105 2.257 . 0 0 "[ . 1 . 2]" 1
852 1 49 CYS H 1 51 ARG H 4.600 . 4.600 2.949 2.769 3.159 . 0 0 "[ . 1 . 2]" 1
853 1 49 CYS QB 1 50 PHE H 3.860 . 3.860 2.447 2.315 2.617 . 0 0 "[ . 1 . 2]" 1
854 1 49 CYS HB2 1 50 PHE H 4.390 . 4.390 3.828 3.721 3.962 . 0 0 "[ . 1 . 2]" 1
855 1 49 CYS HB3 1 50 PHE H 4.390 . 4.390 2.477 2.338 2.658 . 0 0 "[ . 1 . 2]" 1
856 1 50 PHE H 1 50 PHE HB2 4.070 . 4.070 2.389 2.332 2.518 . 0 0 "[ . 1 . 2]" 1
857 1 50 PHE H 1 50 PHE QB 3.550 . 3.550 2.358 2.304 2.476 . 0 0 "[ . 1 . 2]" 1
858 1 50 PHE H 1 50 PHE HB3 4.070 . 4.070 3.614 3.593 3.666 . 0 0 "[ . 1 . 2]" 1
859 1 50 PHE H 1 50 PHE QD 3.980 . 3.980 2.576 2.204 3.314 . 0 0 "[ . 1 . 2]" 1
860 1 50 PHE H 1 51 ARG H 3.380 . 3.380 2.356 2.216 2.476 . 0 0 "[ . 1 . 2]" 1
861 1 50 PHE HA 1 50 PHE QD 3.400 . 3.400 2.779 2.065 3.075 . 0 0 "[ . 1 . 2]" 1
862 1 50 PHE HA 1 50 PHE QE 4.780 . 4.780 4.584 4.437 4.681 . 0 0 "[ . 1 . 2]" 1
863 1 50 PHE QB 1 51 ARG H 3.460 . 3.460 3.063 2.833 3.180 . 0 0 "[ . 1 . 2]" 1
864 1 50 PHE HB2 1 51 ARG H 4.070 . 4.070 3.181 2.923 3.317 . 0 0 "[ . 1 . 2]" 1
865 1 50 PHE HB3 1 51 ARG H 4.070 . 4.070 3.996 3.801 4.077 0.007 4 0 "[ . 1 . 2]" 1
866 1 51 ARG H 1 51 ARG HB2 3.950 . 3.950 2.732 2.434 2.839 . 0 0 "[ . 1 . 2]" 1
867 1 51 ARG H 1 51 ARG QB 3.440 . 3.440 2.664 2.394 2.773 . 0 0 "[ . 1 . 2]" 1
868 1 51 ARG H 1 51 ARG HB3 3.950 . 3.950 3.764 2.889 3.889 . 0 0 "[ . 1 . 2]" 1
869 1 51 ARG H 1 51 ARG HG2 4.530 . 4.530 4.310 4.103 4.550 0.020 8 0 "[ . 1 . 2]" 1
870 1 51 ARG H 1 51 ARG HG3 4.530 . 4.530 3.614 3.237 4.550 0.020 7 0 "[ . 1 . 2]" 1
871 1 51 ARG H 1 52 SER H 4.660 . 4.660 4.311 4.127 4.387 . 0 0 "[ . 1 . 2]" 1
872 1 51 ARG HA 1 51 ARG QG 3.540 . 3.540 2.376 2.273 2.508 . 0 0 "[ . 1 . 2]" 1
873 1 51 ARG HA 1 52 SER H 3.120 . 3.120 2.600 2.459 2.884 . 0 0 "[ . 1 . 2]" 1
874 1 51 ARG QB 1 51 ARG HE 4.030 . 4.030 2.791 2.052 4.040 0.010 7 0 "[ . 1 . 2]" 1
875 1 51 ARG QB 1 52 SER H 3.060 . 3.060 2.172 1.798 2.716 . 0 0 "[ . 1 . 2]" 1
876 1 51 ARG HB2 1 51 ARG QD 3.620 . 3.620 2.659 2.176 3.180 . 0 0 "[ . 1 . 2]" 1
877 1 51 ARG HB2 1 51 ARG HE 4.650 . 4.650 3.280 2.102 4.479 . 0 0 "[ . 1 . 2]" 1
878 1 51 ARG HB2 1 52 SER H 3.780 . 3.780 3.439 2.837 3.794 0.014 7 0 "[ . 1 . 2]" 1
879 1 51 ARG HB3 1 51 ARG QD 3.620 . 3.620 2.453 2.163 3.270 . 0 0 "[ . 1 . 2]" 1
880 1 51 ARG HB3 1 51 ARG HE 4.650 . 4.650 3.416 2.340 4.602 . 0 0 "[ . 1 . 2]" 1
881 1 51 ARG HB3 1 52 SER H 3.780 . 3.780 2.197 1.819 2.782 . 0 0 "[ . 1 . 2]" 1
882 1 51 ARG QD 1 52 SER H 4.330 . 4.330 4.207 3.311 4.378 0.048 8 0 "[ . 1 . 2]" 1
883 1 51 ARG HE 1 51 ARG HG2 4.160 . 4.160 3.040 2.154 3.748 . 0 0 "[ . 1 . 2]" 1
884 1 51 ARG HE 1 51 ARG HG3 4.160 . 4.160 2.862 2.278 3.601 . 0 0 "[ . 1 . 2]" 1
885 1 51 ARG QG 1 52 SER H 3.740 . 3.740 3.621 1.710 3.791 0.051 2 0 "[ . 1 . 2]" 1
886 1 52 SER H 1 52 SER QB 3.140 . 3.140 2.800 2.356 3.031 . 0 0 "[ . 1 . 2]" 1
887 1 52 SER QB 1 53 CYS H 4.320 . 4.320 2.833 2.597 3.479 . 0 0 "[ . 1 . 2]" 1
888 1 53 CYS HA 1 54 ASP H 3.390 . 3.390 2.412 2.303 2.598 . 0 0 "[ . 1 . 2]" 1
889 1 53 CYS HA 1 57 LEU QD 3.730 . 3.730 3.245 3.078 3.443 . 0 0 "[ . 1 . 2]" 1
890 1 53 CYS QB 1 54 ASP H 3.340 . 3.340 2.384 2.122 2.506 . 0 0 "[ . 1 . 2]" 1
891 1 53 CYS QB 1 57 LEU QD 3.040 . 3.040 2.034 1.962 2.103 . 0 0 "[ . 1 . 2]" 1
892 1 53 CYS QB 1 57 LEU HG 4.710 . 4.710 4.604 4.380 4.719 0.009 17 0 "[ . 1 . 2]" 1
893 1 53 CYS HB2 1 54 ASP H 3.830 . 3.830 2.409 2.136 2.540 . 0 0 "[ . 1 . 2]" 1
894 1 53 CYS HB2 1 57 LEU QD 3.480 . 3.480 2.089 2.032 2.164 . 0 0 "[ . 1 . 2]" 1
895 1 53 CYS HB3 1 54 ASP H 3.830 . 3.830 3.806 3.644 3.854 0.024 16 0 "[ . 1 . 2]" 1
896 1 53 CYS HB3 1 57 LEU QD 3.480 . 3.480 2.807 2.532 2.965 . 0 0 "[ . 1 . 2]" 1
897 1 54 ASP H 1 56 ALA MB 5.030 . 5.030 5.028 4.910 5.114 0.084 5 0 "[ . 1 . 2]" 1
898 1 54 ASP H 1 57 LEU H 4.280 . 4.280 3.557 3.361 3.703 . 0 0 "[ . 1 . 2]" 1
899 1 54 ASP H 1 57 LEU HB2 4.450 . 4.450 3.379 3.305 3.516 . 0 0 "[ . 1 . 2]" 1
900 1 54 ASP H 1 57 LEU QB 3.620 . 3.620 2.441 2.246 2.551 . 0 0 "[ . 1 . 2]" 1
901 1 54 ASP H 1 57 LEU HB3 4.450 . 4.450 2.506 2.282 2.652 . 0 0 "[ . 1 . 2]" 1
902 1 54 ASP H 1 57 LEU QD 3.300 . 3.300 3.157 3.055 3.248 . 0 0 "[ . 1 . 2]" 1
903 1 54 ASP H 1 57 LEU HG 5.290 . 5.290 5.274 5.113 5.301 0.011 8 0 "[ . 1 . 2]" 1
904 1 54 ASP H 1 58 LEU H 4.620 . 4.620 3.917 3.548 4.182 . 0 0 "[ . 1 . 2]" 1
905 1 54 ASP H 1 58 LEU QB 5.260 . 5.260 4.417 3.915 4.721 . 0 0 "[ . 1 . 2]" 1
906 1 54 ASP HA 1 55 LEU QD 5.440 . 5.440 4.341 3.969 4.531 . 0 0 "[ . 1 . 2]" 1
907 1 54 ASP HA 1 58 LEU QD 5.440 . 5.440 5.082 4.659 5.410 . 0 0 "[ . 1 . 2]" 1
908 1 54 ASP QB 1 56 ALA HA 5.240 . 5.240 5.007 4.425 5.307 0.067 11 0 "[ . 1 . 2]" 1
909 1 54 ASP HB2 1 55 LEU H 4.210 . 4.210 3.692 2.383 4.220 0.010 6 0 "[ . 1 . 2]" 1
910 1 54 ASP HB2 1 56 ALA H 4.490 . 4.490 3.616 2.630 4.491 0.001 13 0 "[ . 1 . 2]" 1
911 1 54 ASP HB3 1 55 LEU H 4.210 . 4.210 3.236 2.604 3.757 . 0 0 "[ . 1 . 2]" 1
912 1 54 ASP HB3 1 56 ALA H 4.490 . 4.490 3.020 2.196 4.314 . 0 0 "[ . 1 . 2]" 1
913 1 55 LEU H 1 55 LEU MD1 4.000 . 4.000 3.904 3.808 4.002 0.002 9 0 "[ . 1 . 2]" 1
914 1 55 LEU H 1 55 LEU QD 3.400 . 3.400 2.683 2.256 2.813 . 0 0 "[ . 1 . 2]" 1
915 1 55 LEU H 1 55 LEU MD2 4.000 . 4.000 2.736 2.268 2.890 . 0 0 "[ . 1 . 2]" 1
916 1 55 LEU H 1 55 LEU HG 4.210 . 4.210 2.397 2.232 2.617 . 0 0 "[ . 1 . 2]" 1
917 1 55 LEU H 1 56 ALA H 3.890 . 3.890 2.754 2.542 2.933 . 0 0 "[ . 1 . 2]" 1
918 1 55 LEU H 1 56 ALA MB 4.580 . 4.580 4.424 4.189 4.583 0.003 14 0 "[ . 1 . 2]" 1
919 1 55 LEU H 1 58 LEU QD 5.160 . 5.160 4.523 4.262 4.745 . 0 0 "[ . 1 . 2]" 1
920 1 55 LEU HA 1 55 LEU MD1 4.250 . 4.250 3.798 3.765 3.912 . 0 0 "[ . 1 . 2]" 1
921 1 55 LEU HA 1 55 LEU QD 3.540 . 3.540 3.466 3.455 3.480 . 0 0 "[ . 1 . 2]" 1
922 1 55 LEU HA 1 55 LEU MD2 4.250 . 4.250 4.002 3.901 4.037 . 0 0 "[ . 1 . 2]" 1
923 1 55 LEU HA 1 56 ALA MB 5.060 . 5.060 5.016 4.973 5.038 . 0 0 "[ . 1 . 2]" 1
924 1 55 LEU HA 1 58 LEU H 4.480 . 4.480 3.337 3.255 3.514 . 0 0 "[ . 1 . 2]" 1
925 1 55 LEU HA 1 58 LEU HB2 4.680 . 4.680 2.778 2.505 3.209 . 0 0 "[ . 1 . 2]" 1
926 1 55 LEU HA 1 58 LEU QB 3.820 . 3.820 2.220 2.106 2.318 . 0 0 "[ . 1 . 2]" 1
927 1 55 LEU HA 1 58 LEU HB3 4.680 . 4.680 2.354 2.149 2.569 . 0 0 "[ . 1 . 2]" 1
928 1 55 LEU HA 1 58 LEU MD1 4.970 . 4.970 2.608 2.494 2.756 . 0 0 "[ . 1 . 2]" 1
929 1 55 LEU HA 1 58 LEU QD 3.490 . 3.490 2.577 2.458 2.730 . 0 0 "[ . 1 . 2]" 1
930 1 55 LEU HA 1 58 LEU MD2 4.970 . 4.970 4.086 3.286 4.426 . 0 0 "[ . 1 . 2]" 1
931 1 55 LEU HB2 1 55 LEU MD1 3.500 . 3.500 2.172 2.131 2.193 . 0 0 "[ . 1 . 2]" 1
932 1 55 LEU HB2 1 55 LEU MD2 3.500 . 3.500 2.798 2.746 2.972 . 0 0 "[ . 1 . 2]" 1
933 1 55 LEU HB2 1 56 ALA H 3.960 . 3.960 3.966 3.960 3.981 0.021 11 0 "[ . 1 . 2]" 1
934 1 55 LEU HB2 1 56 ALA MB 5.100 . 5.100 5.077 4.919 5.120 0.020 8 0 "[ . 1 . 2]" 1
935 1 55 LEU HB2 1 58 LEU QD 4.960 . 4.960 3.701 3.545 3.841 . 0 0 "[ . 1 . 2]" 1
936 1 55 LEU HB2 1 59 GLU HB2 4.760 . 4.760 4.514 4.263 4.751 . 0 0 "[ . 1 . 2]" 1
937 1 55 LEU HB3 1 56 ALA H 4.260 . 4.260 4.116 4.054 4.252 . 0 0 "[ . 1 . 2]" 1
938 1 55 LEU QD 1 56 ALA HA 3.610 . 3.610 2.935 2.830 3.421 . 0 0 "[ . 1 . 2]" 1
939 1 55 LEU QD 1 56 ALA MB 4.500 . 4.500 3.182 3.061 3.521 . 0 0 "[ . 1 . 2]" 1
940 1 55 LEU QD 1 59 GLU H 5.440 . 5.440 4.567 4.479 4.768 . 0 0 "[ . 1 . 2]" 1
941 1 55 LEU QD 1 59 GLU HB2 5.310 . 5.310 3.882 3.745 4.046 . 0 0 "[ . 1 . 2]" 1
942 1 55 LEU MD1 1 56 ALA H 4.260 . 4.260 3.113 3.013 3.487 . 0 0 "[ . 1 . 2]" 1
943 1 55 LEU MD2 1 56 ALA H 4.260 . 4.260 3.957 3.661 4.098 . 0 0 "[ . 1 . 2]" 1
944 1 55 LEU HG 1 56 ALA H 4.830 . 4.830 2.294 2.163 2.448 . 0 0 "[ . 1 . 2]" 1
945 1 56 ALA H 1 56 ALA MB 2.690 . 2.690 2.233 2.210 2.269 . 0 0 "[ . 1 . 2]" 1
946 1 56 ALA H 1 57 LEU H 3.450 . 3.450 2.671 2.545 2.808 . 0 0 "[ . 1 . 2]" 1
947 1 56 ALA HA 1 59 GLU H 4.430 . 4.430 3.556 3.352 3.723 . 0 0 "[ . 1 . 2]" 1
948 1 56 ALA HA 1 59 GLU HB2 4.200 . 4.200 3.395 3.074 3.675 . 0 0 "[ . 1 . 2]" 1
949 1 56 ALA HA 1 59 GLU HB3 4.570 . 4.570 3.213 2.956 3.659 . 0 0 "[ . 1 . 2]" 1
950 1 56 ALA HA 1 60 THR MG 4.740 . 4.740 4.664 4.581 4.753 0.013 6 0 "[ . 1 . 2]" 1
951 1 56 ALA MB 1 57 LEU H 3.060 . 3.060 2.459 2.359 2.523 . 0 0 "[ . 1 . 2]" 1
952 1 56 ALA MB 1 57 LEU HA 4.090 . 4.090 3.877 3.859 3.900 . 0 0 "[ . 1 . 2]" 1
953 1 56 ALA MB 1 57 LEU HB2 4.530 . 4.530 3.943 3.897 3.987 . 0 0 "[ . 1 . 2]" 1
954 1 56 ALA MB 1 57 LEU QB 3.890 . 3.890 3.714 3.682 3.743 . 0 0 "[ . 1 . 2]" 1
955 1 56 ALA MB 1 57 LEU HB3 4.530 . 4.530 4.533 4.484 4.554 0.024 4 0 "[ . 1 . 2]" 1
956 1 56 ALA MB 1 58 LEU H 4.930 . 4.930 4.409 4.341 4.477 . 0 0 "[ . 1 . 2]" 1
957 1 56 ALA MB 1 59 GLU HB2 5.430 . 5.430 4.909 4.635 5.144 . 0 0 "[ . 1 . 2]" 1
958 1 57 LEU H 1 57 LEU HB2 3.510 . 3.510 2.515 2.441 2.559 . 0 0 "[ . 1 . 2]" 1
959 1 57 LEU H 1 57 LEU QB 3.070 . 3.070 2.223 2.194 2.243 . 0 0 "[ . 1 . 2]" 1
960 1 57 LEU H 1 57 LEU HB3 3.510 . 3.510 2.479 2.439 2.515 . 0 0 "[ . 1 . 2]" 1
961 1 57 LEU H 1 57 LEU QD 3.700 . 3.700 3.737 3.719 3.757 0.057 9 0 "[ . 1 . 2]" 1
962 1 57 LEU H 1 57 LEU HG 4.530 . 4.530 4.422 4.400 4.443 . 0 0 "[ . 1 . 2]" 1
963 1 57 LEU H 1 58 LEU H 3.590 . 3.590 2.507 2.426 2.667 . 0 0 "[ . 1 . 2]" 1
964 1 57 LEU HA 1 57 LEU QD 3.350 . 3.350 3.063 3.034 3.087 . 0 0 "[ . 1 . 2]" 1
965 1 57 LEU HA 1 57 LEU HG 3.510 . 3.510 2.401 2.365 2.431 . 0 0 "[ . 1 . 2]" 1
966 1 57 LEU HA 1 60 THR MG 2.670 . 2.670 2.504 2.394 2.600 . 0 0 "[ . 1 . 2]" 1
967 1 57 LEU QB 1 57 LEU QD 2.690 . 2.690 1.896 1.883 1.913 . 0 0 "[ . 1 . 2]" 1
968 1 57 LEU QD 1 58 LEU H 3.480 . 3.480 3.148 3.014 3.250 . 0 0 "[ . 1 . 2]" 1
969 1 57 LEU QD 1 58 LEU HA 3.630 . 3.630 2.744 2.611 2.888 . 0 0 "[ . 1 . 2]" 1
970 1 57 LEU QD 1 60 THR MG 3.860 . 3.860 3.957 3.904 4.030 0.170 4 0 "[ . 1 . 2]" 1
971 1 57 LEU QD 1 61 TYR QD 3.700 . 3.700 3.407 3.105 3.938 0.238 16 0 "[ . 1 . 2]" 1
972 1 57 LEU QD 1 61 TYR QE 3.190 . 3.190 2.488 2.085 3.254 0.064 17 0 "[ . 1 . 2]" 1
973 1 57 LEU HG 1 58 LEU H 4.380 . 4.380 4.390 4.382 4.403 0.023 3 0 "[ . 1 . 2]" 1
974 1 57 LEU HG 1 58 LEU HA 5.500 . 5.500 4.747 4.629 4.927 . 0 0 "[ . 1 . 2]" 1
975 1 57 LEU HG 1 60 THR MG 3.950 . 3.950 3.682 3.580 3.909 . 0 0 "[ . 1 . 2]" 1
976 1 57 LEU HG 1 61 TYR QE 4.270 . 4.270 3.902 3.263 4.288 0.018 16 0 "[ . 1 . 2]" 1
977 1 58 LEU H 1 58 LEU HB2 3.750 . 3.750 2.176 2.060 2.368 . 0 0 "[ . 1 . 2]" 1
978 1 58 LEU H 1 58 LEU QB 3.170 . 3.170 2.057 2.004 2.085 . 0 0 "[ . 1 . 2]" 1
979 1 58 LEU H 1 58 LEU HB3 3.750 . 3.750 2.586 2.302 2.750 . 0 0 "[ . 1 . 2]" 1
980 1 58 LEU H 1 58 LEU MD1 4.780 . 4.780 3.966 3.905 4.016 . 0 0 "[ . 1 . 2]" 1
981 1 58 LEU H 1 58 LEU QD 4.080 . 4.080 3.643 3.556 3.685 . 0 0 "[ . 1 . 2]" 1
982 1 58 LEU H 1 58 LEU MD2 4.780 . 4.780 4.246 4.085 4.300 . 0 0 "[ . 1 . 2]" 1
983 1 58 LEU H 1 58 LEU HG 4.360 . 4.360 4.274 4.128 4.394 0.034 3 0 "[ . 1 . 2]" 1
984 1 58 LEU H 1 59 GLU H 3.880 . 3.880 2.753 2.691 2.822 . 0 0 "[ . 1 . 2]" 1
985 1 58 LEU HA 1 58 LEU MD1 4.170 . 4.170 3.825 3.666 3.878 . 0 0 "[ . 1 . 2]" 1
986 1 58 LEU HA 1 58 LEU QD 3.320 . 3.320 2.756 2.560 3.136 . 0 0 "[ . 1 . 2]" 1
987 1 58 LEU HA 1 58 LEU MD2 4.170 . 4.170 2.842 2.602 3.408 . 0 0 "[ . 1 . 2]" 1
988 1 58 LEU HA 1 58 LEU HG 3.930 . 3.930 2.727 2.660 2.802 . 0 0 "[ . 1 . 2]" 1
989 1 58 LEU HA 1 60 THR H 4.620 . 4.620 3.982 3.906 4.090 . 0 0 "[ . 1 . 2]" 1
990 1 58 LEU HA 1 61 TYR H 4.590 . 4.590 3.936 3.727 4.115 . 0 0 "[ . 1 . 2]" 1
991 1 58 LEU HA 1 61 TYR QD 4.120 . 4.120 2.783 2.462 3.456 . 0 0 "[ . 1 . 2]" 1
992 1 58 LEU HA 1 61 TYR QE 4.980 . 4.980 4.033 3.464 4.699 . 0 0 "[ . 1 . 2]" 1
993 1 58 LEU QB 1 58 LEU QD 2.720 . 2.720 1.880 1.824 1.901 . 0 0 "[ . 1 . 2]" 1
994 1 58 LEU QB 1 59 GLU H 4.210 . 4.210 2.397 2.368 2.423 . 0 0 "[ . 1 . 2]" 1
995 1 58 LEU HB2 1 58 LEU MD1 3.510 . 3.510 2.231 2.073 2.288 . 0 0 "[ . 1 . 2]" 1
996 1 58 LEU HB2 1 58 LEU MD2 3.510 . 3.510 3.222 3.211 3.238 . 0 0 "[ . 1 . 2]" 1
997 1 58 LEU HB3 1 58 LEU MD1 3.510 . 3.510 2.223 2.187 2.343 . 0 0 "[ . 1 . 2]" 1
998 1 58 LEU HB3 1 58 LEU MD2 3.510 . 3.510 2.411 2.254 2.468 . 0 0 "[ . 1 . 2]" 1
999 1 58 LEU QD 1 59 GLU HA 3.750 . 3.750 3.038 2.478 3.338 . 0 0 "[ . 1 . 2]" 1
1000 1 58 LEU QD 1 59 GLU HB2 4.630 . 4.630 4.065 3.392 4.457 . 0 0 "[ . 1 . 2]" 1
1001 1 58 LEU QD 1 59 GLU QG 4.940 . 4.940 4.522 3.971 4.760 . 0 0 "[ . 1 . 2]" 1
1002 1 58 LEU QD 1 60 THR MG 5.440 . 5.440 5.380 5.242 5.451 0.011 16 0 "[ . 1 . 2]" 1
1003 1 58 LEU QD 1 61 TYR QD 4.570 . 4.570 3.853 3.402 4.470 . 0 0 "[ . 1 . 2]" 1
1004 1 58 LEU MD1 1 59 GLU H 4.170 . 4.170 4.214 4.178 4.267 0.097 3 0 "[ . 1 . 2]" 1
1005 1 58 LEU MD1 1 59 GLU HA 4.800 . 4.800 4.848 4.807 4.918 0.118 16 0 "[ . 1 . 2]" 1
1006 1 58 LEU MD1 1 59 GLU HB2 5.500 . 5.500 5.135 4.951 5.294 . 0 0 "[ . 1 . 2]" 1
1007 1 58 LEU MD2 1 59 GLU H 4.170 . 4.170 3.449 2.905 3.719 . 0 0 "[ . 1 . 2]" 1
1008 1 58 LEU MD2 1 59 GLU HA 4.800 . 4.800 3.074 2.485 3.402 . 0 0 "[ . 1 . 2]" 1
1009 1 58 LEU MD2 1 59 GLU HB2 5.500 . 5.500 4.290 3.437 4.802 . 0 0 "[ . 1 . 2]" 1
1010 1 59 GLU H 1 59 GLU HB2 3.290 . 3.290 2.363 2.309 2.419 . 0 0 "[ . 1 . 2]" 1
1011 1 59 GLU H 1 59 GLU HB3 3.420 . 3.420 2.614 2.524 2.779 . 0 0 "[ . 1 . 2]" 1
1012 1 59 GLU H 1 59 GLU HG2 4.710 . 4.710 4.527 4.399 4.589 . 0 0 "[ . 1 . 2]" 1
1013 1 59 GLU H 1 59 GLU QG 4.120 . 4.120 3.961 3.915 3.990 . 0 0 "[ . 1 . 2]" 1
1014 1 59 GLU H 1 59 GLU HG3 4.710 . 4.710 4.376 4.297 4.539 . 0 0 "[ . 1 . 2]" 1
1015 1 59 GLU H 1 60 THR MG 3.980 . 3.980 3.959 3.891 4.005 0.025 16 0 "[ . 1 . 2]" 1
1016 1 59 GLU HA 1 59 GLU HG2 3.670 . 3.670 3.108 2.439 3.357 . 0 0 "[ . 1 . 2]" 1
1017 1 59 GLU HA 1 59 GLU QG 3.200 . 3.200 2.401 2.280 2.498 . 0 0 "[ . 1 . 2]" 1
1018 1 59 GLU HA 1 59 GLU HG3 3.670 . 3.670 2.559 2.325 3.627 . 0 0 "[ . 1 . 2]" 1
1019 1 59 GLU HB2 1 60 THR H 4.530 . 4.530 4.105 3.932 4.198 . 0 0 "[ . 1 . 2]" 1
1020 1 59 GLU HB2 1 60 THR MG 4.880 . 4.880 4.814 4.521 4.898 0.018 15 0 "[ . 1 . 2]" 1
1021 1 59 GLU HB3 1 60 THR H 4.020 . 4.020 3.045 2.835 3.206 . 0 0 "[ . 1 . 2]" 1
1022 1 59 GLU HB3 1 60 THR MG 3.930 . 3.930 3.472 3.199 3.605 . 0 0 "[ . 1 . 2]" 1
1023 1 59 GLU QG 1 60 THR H 5.310 . 5.310 4.079 3.882 4.547 . 0 0 "[ . 1 . 2]" 1
1024 1 59 GLU HG2 1 60 THR MG 5.500 . 5.500 4.490 4.306 5.534 0.034 16 0 "[ . 1 . 2]" 1
1025 1 59 GLU HG3 1 60 THR MG 5.500 . 5.500 5.539 5.508 5.578 0.078 8 0 "[ . 1 . 2]" 1
1026 1 60 THR H 1 60 THR MG 2.930 . 2.930 2.002 1.972 2.049 . 0 0 "[ . 1 . 2]" 1
1027 1 60 THR H 1 61 TYR H 3.800 . 3.800 2.705 2.622 2.813 . 0 0 "[ . 1 . 2]" 1
1028 1 60 THR H 1 61 TYR QD 4.620 . 4.620 3.787 3.435 4.211 . 0 0 "[ . 1 . 2]" 1
1029 1 60 THR H 1 62 CYS H 4.410 . 4.410 4.219 4.067 4.358 . 0 0 "[ . 1 . 2]" 1
1030 1 60 THR HA 1 62 CYS H 4.100 . 4.100 3.525 3.392 3.685 . 0 0 "[ . 1 . 2]" 1
1031 1 60 THR MG 1 61 TYR H 4.130 . 4.130 4.019 3.968 4.067 . 0 0 "[ . 1 . 2]" 1
1032 1 60 THR MG 1 61 TYR QE 5.500 . 5.500 5.095 4.513 5.548 0.048 8 0 "[ . 1 . 2]" 1
1033 1 60 THR MG 1 62 CYS H 5.130 . 5.130 5.055 4.965 5.147 0.017 3 0 "[ . 1 . 2]" 1
1034 1 61 TYR H 1 61 TYR QB 3.630 . 3.630 2.287 2.192 2.381 . 0 0 "[ . 1 . 2]" 1
1035 1 61 TYR H 1 61 TYR QD 3.800 . 3.800 2.536 2.253 2.863 . 0 0 "[ . 1 . 2]" 1
1036 1 61 TYR H 1 61 TYR QE 5.500 . 5.500 4.760 4.473 5.022 . 0 0 "[ . 1 . 2]" 1
1037 1 61 TYR H 1 62 CYS H 3.420 . 3.420 2.458 2.363 2.615 . 0 0 "[ . 1 . 2]" 1
1038 1 61 TYR HA 1 61 TYR QD 4.120 . 4.120 3.001 2.829 3.129 . 0 0 "[ . 1 . 2]" 1
1039 1 61 TYR QB 1 62 CYS H 4.030 . 4.030 3.388 3.261 3.458 . 0 0 "[ . 1 . 2]" 1
1040 1 61 TYR HB2 1 62 CYS H 4.630 . 4.630 3.585 3.432 3.681 . 0 0 "[ . 1 . 2]" 1
1041 1 61 TYR HB3 1 62 CYS H 4.630 . 4.630 4.172 4.021 4.307 . 0 0 "[ . 1 . 2]" 1
1042 1 61 TYR QD 1 62 CYS H 5.010 . 5.010 4.690 4.521 4.874 . 0 0 "[ . 1 . 2]" 1
1043 1 62 CYS H 1 62 CYS HB2 3.910 . 3.910 2.406 2.213 2.530 . 0 0 "[ . 1 . 2]" 1
1044 1 62 CYS H 1 62 CYS QB 3.330 . 3.330 2.316 2.132 2.485 . 0 0 "[ . 1 . 2]" 1
1045 1 62 CYS H 1 62 CYS HB3 3.910 . 3.910 3.186 2.546 3.639 . 0 0 "[ . 1 . 2]" 1
1046 1 62 CYS QB 1 63 ALA MB 4.730 . 4.730 4.258 3.843 4.681 . 0 0 "[ . 1 . 2]" 1
1047 1 62 CYS QB 1 64 THR H 4.560 . 4.560 2.813 2.205 3.500 . 0 0 "[ . 1 . 2]" 1
1048 1 62 CYS HB2 1 63 ALA H 4.220 . 4.220 3.885 3.533 4.107 . 0 0 "[ . 1 . 2]" 1
1049 1 62 CYS HB2 1 63 ALA MB 5.500 . 5.500 5.311 4.933 5.564 0.064 16 0 "[ . 1 . 2]" 1
1050 1 62 CYS HB3 1 63 ALA H 4.220 . 4.220 3.031 2.361 3.754 . 0 0 "[ . 1 . 2]" 1
1051 1 62 CYS HB3 1 63 ALA MB 5.500 . 5.500 4.492 3.993 5.055 . 0 0 "[ . 1 . 2]" 1
1052 1 63 ALA H 1 63 ALA MB 2.990 . 2.990 2.224 2.171 2.262 . 0 0 "[ . 1 . 2]" 1
1053 1 63 ALA H 1 64 THR H 4.120 . 4.120 2.549 2.356 2.716 . 0 0 "[ . 1 . 2]" 1
1054 1 63 ALA MB 1 64 THR H 3.110 . 3.110 2.819 2.635 3.082 . 0 0 "[ . 1 . 2]" 1
1055 1 63 ALA MB 1 64 THR HA 4.250 . 4.250 4.158 3.927 4.294 0.044 8 0 "[ . 1 . 2]" 1
1056 1 64 THR H 1 64 THR MG 3.510 . 3.510 3.043 2.483 3.475 . 0 0 "[ . 1 . 2]" 1
1057 1 64 THR H 1 65 PRO HD2 5.320 . 5.320 5.022 4.966 5.089 . 0 0 "[ . 1 . 2]" 1
1058 1 64 THR H 1 65 PRO QD 4.500 . 4.500 4.486 4.396 4.523 0.023 12 0 "[ . 1 . 2]" 1
1059 1 64 THR H 1 65 PRO HD3 5.320 . 5.320 5.053 4.849 5.181 . 0 0 "[ . 1 . 2]" 1
1060 1 64 THR HA 1 64 THR MG 3.040 . 3.040 2.257 2.231 2.286 . 0 0 "[ . 1 . 2]" 1
1061 1 64 THR HA 1 65 PRO HD2 3.380 . 3.380 2.703 2.556 2.813 . 0 0 "[ . 1 . 2]" 1
1062 1 64 THR HA 1 65 PRO HD3 3.380 . 3.380 2.388 2.199 2.525 . 0 0 "[ . 1 . 2]" 1
1063 1 64 THR HA 1 65 PRO HG2 4.850 . 4.850 4.731 4.626 4.821 . 0 0 "[ . 1 . 2]" 1
1064 1 64 THR HA 1 65 PRO HG3 4.740 . 4.740 4.640 4.459 4.749 0.009 8 0 "[ . 1 . 2]" 1
1065 1 64 THR HB 1 65 PRO HD2 3.830 . 3.830 2.177 2.044 2.251 . 0 0 "[ . 1 . 2]" 1
1066 1 64 THR HB 1 65 PRO QD 3.270 . 3.270 2.155 2.027 2.230 . 0 0 "[ . 1 . 2]" 1
1067 1 64 THR HB 1 65 PRO HD3 3.830 . 3.830 3.473 3.339 3.626 . 0 0 "[ . 1 . 2]" 1
1068 1 64 THR HB 1 65 PRO HG2 4.450 . 4.450 4.014 3.885 4.184 . 0 0 "[ . 1 . 2]" 1
1069 1 64 THR HB 1 65 PRO HG3 4.850 . 4.850 4.840 4.733 4.864 0.014 19 0 "[ . 1 . 2]" 1
1070 1 64 THR MG 1 65 PRO HD2 3.570 . 3.570 3.054 2.839 3.278 . 0 0 "[ . 1 . 2]" 1
1071 1 64 THR MG 1 65 PRO QD 3.070 . 3.070 2.897 2.738 3.044 . 0 0 "[ . 1 . 2]" 1
1072 1 64 THR MG 1 65 PRO HD3 3.570 . 3.570 3.611 3.577 3.670 0.100 20 0 "[ . 1 . 2]" 1
1073 1 65 PRO HA 1 66 ALA H 2.770 . 2.770 2.508 2.431 2.611 . 0 0 "[ . 1 . 2]" 1
1074 1 65 PRO HA 1 66 ALA MB 4.810 . 4.810 4.199 4.018 4.322 . 0 0 "[ . 1 . 2]" 1
1075 1 65 PRO HB2 1 66 ALA H 3.440 . 3.440 2.331 2.277 2.372 . 0 0 "[ . 1 . 2]" 1
1076 1 65 PRO HB2 1 66 ALA MB 4.250 . 4.250 3.818 3.650 3.999 . 0 0 "[ . 1 . 2]" 1
1077 1 65 PRO HB3 1 66 ALA H 3.450 . 3.450 3.445 3.400 3.457 0.007 16 0 "[ . 1 . 2]" 1
1078 1 65 PRO HB3 1 66 ALA MB 5.050 . 5.050 5.024 4.903 5.086 0.036 9 0 "[ . 1 . 2]" 1
1079 1 65 PRO HG2 1 66 ALA H 4.270 . 4.270 4.004 3.946 4.052 . 0 0 "[ . 1 . 2]" 1
1080 1 65 PRO HG2 1 66 ALA MB 5.410 . 5.410 5.025 4.862 5.280 . 0 0 "[ . 1 . 2]" 1
1081 1 65 PRO HG3 1 66 ALA H 4.790 . 4.790 4.800 4.771 4.812 0.022 11 0 "[ . 1 . 2]" 1
1082 1 66 ALA H 1 66 ALA MB 2.790 . 2.790 2.236 2.189 2.251 . 0 0 "[ . 1 . 2]" 1
1083 1 66 ALA HA 1 67 LYS H 2.800 . 2.800 2.244 2.136 2.668 . 0 0 "[ . 1 . 2]" 1
1084 1 66 ALA MB 1 67 LYS H 3.740 . 3.740 3.062 2.716 3.743 0.003 13 0 "[ . 1 . 2]" 1
1085 1 66 ALA MB 1 68 SER H 4.390 . 4.390 3.085 2.414 4.419 0.029 9 0 "[ . 1 . 2]" 1
1086 1 66 ALA MB 1 68 SER QB 3.950 . 3.950 3.353 2.875 4.074 0.124 17 0 "[ . 1 . 2]" 1
1087 1 67 LYS H 1 67 LYS HB2 3.840 . 3.840 2.728 2.326 3.651 . 0 0 "[ . 1 . 2]" 1
1088 1 67 LYS H 1 67 LYS QB 3.010 . 3.010 2.487 2.212 2.883 . 0 0 "[ . 1 . 2]" 1
1089 1 67 LYS H 1 67 LYS HB3 3.840 . 3.840 3.114 2.610 3.841 0.001 2 0 "[ . 1 . 2]" 1
1090 1 67 LYS H 1 67 LYS QG 4.330 . 4.330 3.436 1.770 4.241 . 0 0 "[ . 1 . 2]" 1
1091 1 67 LYS HA 1 67 LYS QG 4.000 . 4.000 2.515 2.263 3.394 . 0 0 "[ . 1 . 2]" 1
1092 1 67 LYS HA 1 68 SER H 3.060 . 3.060 2.790 2.172 3.089 0.029 20 0 "[ . 1 . 2]" 1
1093 1 67 LYS HB2 1 68 SER H 4.610 . 4.610 4.390 3.739 4.619 0.009 3 0 "[ . 1 . 2]" 1
1094 1 67 LYS HB3 1 68 SER H 4.610 . 4.610 4.262 3.763 4.624 0.014 15 0 "[ . 1 . 2]" 1
1095 1 68 SER H 1 68 SER QB 3.540 . 3.540 2.513 2.268 2.897 . 0 0 "[ . 1 . 2]" 1
1096 1 68 SER H 1 69 GLU H 4.060 . 4.060 3.722 3.078 4.072 0.012 13 0 "[ . 1 . 2]" 1
1097 1 68 SER HA 1 69 GLU H 3.230 . 3.230 2.415 2.091 2.827 . 0 0 "[ . 1 . 2]" 1
1098 1 68 SER QB 1 69 GLU H 4.400 . 4.400 3.957 3.549 4.089 . 0 0 "[ . 1 . 2]" 1
1099 1 69 GLU H 1 69 GLU QB 3.640 . 3.640 2.797 2.266 3.465 . 0 0 "[ . 1 . 2]" 1
1100 1 69 GLU QB 1 69 GLU QG 2.310 . 2.310 2.100 2.044 2.146 . 0 0 "[ . 1 . 2]" 1
stop_
save_
Contact the webmaster for help, if required. Wednesday, May 29, 2024 9:43:47 AM GMT (wattos1)