NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
526125 |
2leb   |
17706 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2leb
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 1686
_Distance_constraint_stats_list.Viol_count 131
_Distance_constraint_stats_list.Viol_total 125.409
_Distance_constraint_stats_list.Viol_max 0.213
_Distance_constraint_stats_list.Viol_rms 0.0038
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0002
_Distance_constraint_stats_list.Viol_average_violations_only 0.0479
_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 36 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 TYR 0.020 0.020 1 0 "[ . 1 . 2]"
1 38 GLY 0.047 0.027 6 0 "[ . 1 . 2]"
1 39 ARG 0.232 0.113 13 0 "[ . 1 . 2]"
1 40 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 ASP 0.005 0.005 6 0 "[ . 1 . 2]"
1 44 VAL 0.005 0.005 6 0 "[ . 1 . 2]"
1 45 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 GLY 0.028 0.024 1 0 "[ . 1 . 2]"
1 47 MET 0.028 0.024 1 0 "[ . 1 . 2]"
1 48 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 52 VAL 0.455 0.069 6 0 "[ . 1 . 2]"
1 53 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 54 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 55 LEU 0.040 0.040 16 0 "[ . 1 . 2]"
1 56 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 57 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 58 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 59 THR 0.064 0.040 16 0 "[ . 1 . 2]"
1 60 SER 0.023 0.023 16 0 "[ . 1 . 2]"
1 61 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 62 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 63 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 64 LEU 0.057 0.012 15 0 "[ . 1 . 2]"
1 65 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 66 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 67 VAL 0.057 0.012 15 0 "[ . 1 . 2]"
1 68 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 69 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 70 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 71 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 72 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 73 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 74 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 75 GLY 0.047 0.047 11 0 "[ . 1 . 2]"
1 76 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 77 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 78 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 79 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 80 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 81 ARG 1.195 0.213 5 0 "[ . 1 . 2]"
1 82 ASP 1.266 0.213 5 0 "[ . 1 . 2]"
1 83 ARG 0.333 0.059 11 0 "[ . 1 . 2]"
1 84 TYR 1.039 0.095 17 0 "[ . 1 . 2]"
1 85 THR 2.219 0.134 1 0 "[ . 1 . 2]"
1 86 LYS 1.252 0.134 1 0 "[ . 1 . 2]"
1 87 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 88 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 89 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 90 GLY 0.097 0.057 2 0 "[ . 1 . 2]"
1 91 PHE 0.097 0.057 2 0 "[ . 1 . 2]"
1 92 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 93 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 94 VAL 0.013 0.013 6 0 "[ . 1 . 2]"
1 95 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 96 PHE 0.047 0.047 11 0 "[ . 1 . 2]"
1 97 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 98 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 99 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 100 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 101 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 102 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 103 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 104 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 105 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 106 MET 0.054 0.026 1 0 "[ . 1 . 2]"
1 107 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 108 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 109 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 110 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 111 GLY 0.404 0.153 14 0 "[ . 1 . 2]"
1 112 ALA 0.404 0.153 14 0 "[ . 1 . 2]"
1 113 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 114 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 115 ASP 0.533 0.107 13 0 "[ . 1 . 2]"
1 116 GLY 0.734 0.107 13 0 "[ . 1 . 2]"
1 117 ARG 0.429 0.064 17 0 "[ . 1 . 2]"
1 118 GLU 0.228 0.063 17 0 "[ . 1 . 2]"
1 119 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 120 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 121 VAL 0.497 0.069 6 0 "[ . 1 . 2]"
1 122 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 123 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 124 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 125 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 126 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 127 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 128 ARG 0.018 0.018 18 0 "[ . 1 . 2]"
1 129 PRO 0.018 0.018 18 0 "[ . 1 . 2]"
1 130 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 131 ASP 0.009 0.009 2 0 "[ . 1 . 2]"
1 132 SER 0.009 0.009 2 0 "[ . 1 . 2]"
1 133 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 134 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 135 SER 0.000 0.000 . 0 "[ . 1 . 2]"
2 1 U 0.000 0.000 . 0 "[ . 1 . 2]"
2 2 C 0.000 0.000 . 0 "[ . 1 . 2]"
2 3 C 0.000 0.000 . 0 "[ . 1 . 2]"
2 4 A 0.332 0.059 11 0 "[ . 1 . 2]"
2 5 G 0.000 0.000 . 0 "[ . 1 . 2]"
2 6 U 0.000 0.000 . 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 47 MET QB 1 97 HIS HE1 6.170 . 6.670 5.167 4.629 5.543 . 0 0 "[ . 1 . 2]" 1
2 1 54 ASN QD 1 118 GLU HG3 6.170 . 6.670 4.305 4.048 4.552 . 0 0 "[ . 1 . 2]" 1
3 1 54 ASN QD 1 118 GLU HA . . 6.030 4.079 3.943 4.377 . 0 0 "[ . 1 . 2]" 1
4 1 68 PHE QD 1 109 MET QB 6.610 . 7.110 4.658 4.354 4.849 . 0 0 "[ . 1 . 2]" 1
5 1 68 PHE QD 1 74 VAL HB 6.110 . 6.610 5.176 4.730 5.494 . 0 0 "[ . 1 . 2]" 1
6 1 67 VAL QG 1 68 PHE QD . . 5.360 2.296 1.986 2.617 . 0 0 "[ . 1 . 2]" 1
7 1 68 PHE QD 1 74 VAL QG 6.630 . 7.130 3.963 3.607 4.283 . 0 0 "[ . 1 . 2]" 1
8 1 64 LEU HA 1 68 PHE QD 4.730 . 5.230 2.390 2.173 2.609 . 0 0 "[ . 1 . 2]" 1
9 1 65 ARG HA 1 68 PHE QD 5.810 . 6.310 4.938 4.775 5.097 . 0 0 "[ . 1 . 2]" 1
10 1 68 PHE QD 1 74 VAL HA 6.170 . 6.670 5.420 5.043 5.646 . 0 0 "[ . 1 . 2]" 1
11 1 68 PHE QD 1 71 TYR HB2 5.850 . 6.350 3.938 3.596 4.138 . 0 0 "[ . 1 . 2]" 1
12 1 68 PHE QD 1 71 TYR HB3 5.760 . 6.260 4.943 4.617 5.141 . 0 0 "[ . 1 . 2]" 1
13 1 68 PHE QD 1 105 ALA HA 6.040 . 6.540 4.504 4.287 4.753 . 0 0 "[ . 1 . 2]" 1
14 1 67 VAL HB 1 68 PHE QD 5.330 . 5.830 3.331 2.407 4.740 . 0 0 "[ . 1 . 2]" 1
15 1 64 LEU HB2 1 68 PHE QD 4.880 . 5.380 4.335 4.203 4.390 . 0 0 "[ . 1 . 2]" 1
16 1 68 PHE QD 1 94 VAL QG 5.700 . 6.200 3.078 2.755 3.373 . 0 0 "[ . 1 . 2]" 1
17 1 74 VAL HA 1 96 PHE HZ 5.370 . 5.870 4.032 3.569 4.551 . 0 0 "[ . 1 . 2]" 1
18 1 71 TYR HB2 1 96 PHE HZ 5.200 . 5.700 2.735 2.479 2.941 . 0 0 "[ . 1 . 2]" 1
19 1 68 PHE HB3 1 96 PHE HZ 4.700 . 5.200 2.079 1.988 2.164 . 0 0 "[ . 1 . 2]" 1
20 1 68 PHE HB2 1 96 PHE HZ 4.760 . 5.260 3.829 3.734 3.917 . 0 0 "[ . 1 . 2]" 1
21 1 71 TYR HB3 1 96 PHE HZ 5.500 . 6.000 4.005 3.814 4.183 . 0 0 "[ . 1 . 2]" 1
22 1 96 PHE HZ 1 105 ALA HA 5.500 . 6.000 4.867 4.690 5.149 . 0 0 "[ . 1 . 2]" 1
23 1 74 VAL HB 1 96 PHE HZ 5.500 . 6.000 4.509 3.591 5.124 . 0 0 "[ . 1 . 2]" 1
24 1 74 VAL QG 1 96 PHE HZ 5.890 . 6.390 3.659 2.547 4.390 . 0 0 "[ . 1 . 2]" 1
25 1 68 PHE QD 1 71 TYR QD 5.060 . 5.560 3.960 3.806 4.049 . 0 0 "[ . 1 . 2]" 1
26 1 71 TYR QD 1 96 PHE HZ 5.020 . 5.520 3.824 3.595 4.029 . 0 0 "[ . 1 . 2]" 1
27 1 71 TYR QD 1 105 ALA HA 4.410 . 4.910 2.427 2.296 2.605 . 0 0 "[ . 1 . 2]" 1
28 1 70 LYS QG 1 71 TYR QD 4.930 . 5.430 2.230 2.162 2.271 . 0 0 "[ . 1 . 2]" 1
29 1 73 ARG QB 1 96 PHE QD 6.600 . 7.100 4.875 4.285 5.277 . 0 0 "[ . 1 . 2]" 1
30 1 95 ARG QB 1 96 PHE QD 6.700 . 7.200 4.935 4.556 5.321 . 0 0 "[ . 1 . 2]" 1
31 1 70 LYS QD 1 71 TYR QD 6.090 . 6.590 3.780 3.704 3.833 . 0 0 "[ . 1 . 2]" 1
32 1 70 LYS HB3 1 71 TYR QD 5.850 . 6.350 4.554 4.473 4.598 . 0 0 "[ . 1 . 2]" 1
33 1 83 ARG QB 1 84 TYR QD 6.880 . 7.380 4.019 3.089 4.694 . 0 0 "[ . 1 . 2]" 1
34 1 50 LEU HA 1 96 PHE QD 5.980 . 6.480 5.145 4.936 5.372 . 0 0 "[ . 1 . 2]" 1
35 1 69 GLU HA 1 71 TYR QD 6.170 . 6.670 4.976 4.770 5.212 . 0 0 "[ . 1 . 2]" 1
36 1 82 ASP HA 1 84 TYR QD 6.170 . 6.670 4.956 4.456 5.496 . 0 0 "[ . 1 . 2]" 1
37 1 73 ARG QG 1 96 PHE QD 6.210 . 6.710 3.346 2.515 3.992 . 0 0 "[ . 1 . 2]" 1
38 1 71 TYR QD 1 109 MET QG . . 6.460 4.097 3.904 4.228 . 0 0 "[ . 1 . 2]" 1
39 1 50 LEU QB 1 96 PHE QD 6.090 . 6.230 2.462 2.233 3.108 . 0 0 "[ . 1 . 2]" 1
40 1 71 TYR QD 1 105 ALA MB 4.740 . 5.240 3.413 3.275 3.499 . 0 0 "[ . 1 . 2]" 1
41 1 71 TYR QD 1 74 VAL QG 8.320 . 8.820 5.098 4.524 5.526 . 0 0 "[ . 1 . 2]" 1
42 1 94 VAL QG 1 96 PHE QD 6.140 . 6.640 3.610 2.270 3.994 . 0 0 "[ . 1 . 2]" 1
43 1 79 ILE HA 1 91 PHE QE 5.930 . 6.430 4.634 4.276 5.222 . 0 0 "[ . 1 . 2]" 1
44 1 93 PHE QE 1 95 ARG QD 6.930 . 7.430 3.140 2.377 4.668 . 0 0 "[ . 1 . 2]" 1
45 1 80 PRO QB 1 91 PHE QE 6.930 . 7.430 3.177 2.122 4.569 . 0 0 "[ . 1 . 2]" 1
46 1 51 LYS HB2 1 93 PHE QE 4.280 . 4.780 2.351 2.068 2.838 . 0 0 "[ . 1 . 2]" 1
47 1 51 LYS QD 1 93 PHE QE 6.320 . 6.820 3.177 2.700 4.595 . 0 0 "[ . 1 . 2]" 1
48 1 80 PRO QD 1 91 PHE QE 4.670 . 5.170 2.602 2.124 3.384 . 0 0 "[ . 1 . 2]" 1
49 1 80 PRO QG 1 91 PHE QE 5.830 . 6.330 2.307 2.055 2.916 . 0 0 "[ . 1 . 2]" 1
50 1 51 LYS QE 1 93 PHE QE 6.510 . 7.010 4.233 3.264 4.604 . 0 0 "[ . 1 . 2]" 1
51 1 37 TYR QD 1 77 VAL HB 6.170 . 6.670 4.804 2.206 5.270 . 0 0 "[ . 1 . 2]" 1
52 1 96 PHE QE 1 109 MET ME 7.280 . 7.780 5.267 4.923 5.409 . 0 0 "[ . 1 . 2]" 1
53 1 80 PRO QB 1 91 PHE HZ 5.970 . 6.470 2.492 1.996 3.960 . 0 0 "[ . 1 . 2]" 1
54 1 68 PHE QD 1 96 PHE QE 4.950 . 5.450 2.433 2.111 2.789 . 0 0 "[ . 1 . 2]" 1
55 1 69 GLU HA 1 96 PHE QE 5.110 . 5.610 4.429 4.038 4.595 . 0 0 "[ . 1 . 2]" 1
56 1 96 PHE HA 1 96 PHE QE 5.570 . 6.070 4.759 4.712 4.844 . 0 0 "[ . 1 . 2]" 1
57 1 74 VAL HA 1 96 PHE QE 4.610 . 5.110 3.463 2.886 4.010 . 0 0 "[ . 1 . 2]" 1
58 1 71 TYR HB2 1 96 PHE QE 5.740 . 6.240 2.593 2.272 2.963 . 0 0 "[ . 1 . 2]" 1
59 1 94 VAL HB 1 96 PHE QE 4.390 . 4.890 3.892 3.709 4.034 . 0 0 "[ . 1 . 2]" 1
60 1 96 PHE QE 1 105 ALA MB 5.420 . 5.920 2.906 2.775 3.136 . 0 0 "[ . 1 . 2]" 1
61 1 50 LEU QD 1 96 PHE QE 5.360 . 5.860 3.036 2.872 3.355 . 0 0 "[ . 1 . 2]" 1
62 1 125 ARG QB 1 126 TYR QD 5.530 . 6.030 3.659 2.460 4.349 . 0 0 "[ . 1 . 2]" 1
63 1 68 PHE QE 1 96 PHE HZ 5.200 . 5.700 4.393 4.272 4.650 . 0 0 "[ . 1 . 2]" 1
64 1 64 LEU HA 1 68 PHE QE 5.230 . 5.730 3.507 3.362 3.731 . 0 0 "[ . 1 . 2]" 1
65 1 68 PHE HZ 1 109 MET HA 5.500 . 6.000 5.295 5.147 5.466 . 0 0 "[ . 1 . 2]" 1
66 1 52 VAL HB 1 68 PHE HZ 5.320 . 5.820 4.832 4.630 5.026 . 0 0 "[ . 1 . 2]" 1
67 1 52 VAL HB 1 68 PHE QE 5.500 . 6.000 4.559 4.367 4.698 . 0 0 "[ . 1 . 2]" 1
68 1 68 PHE QE 1 109 MET QG . . 4.720 2.290 2.116 2.380 . 0 0 "[ . 1 . 2]" 1
69 1 64 LEU HB3 1 68 PHE QE 4.490 . 4.990 3.572 3.484 3.695 . 0 0 "[ . 1 . 2]" 1
70 1 68 PHE QE 1 94 VAL QG . . 6.480 3.637 3.339 3.945 . 0 0 "[ . 1 . 2]" 1
71 1 78 TYR QD 1 80 PRO QD 4.930 . 5.430 2.731 2.275 2.995 . 0 0 "[ . 1 . 2]" 1
72 1 57 TYR QE 1 58 ARG QG 6.360 . 6.860 2.922 2.756 3.100 . 0 0 "[ . 1 . 2]" 1
73 1 56 THR HB 1 57 TYR QE 5.560 . 6.060 4.226 4.010 4.632 . 0 0 "[ . 1 . 2]" 1
74 1 57 TYR QE 1 58 ARG QD 5.480 . 5.980 2.626 2.149 3.758 . 0 0 "[ . 1 . 2]" 1
75 1 57 TYR QE 1 58 ARG HB3 6.060 . 6.560 5.426 5.390 5.454 . 0 0 "[ . 1 . 2]" 1
76 1 83 ARG QB 1 84 TYR QE 6.820 . 7.320 3.840 2.858 4.712 . 0 0 "[ . 1 . 2]" 1
77 1 37 TYR QE 1 77 VAL HA 6.170 . 6.670 5.453 4.930 5.596 . 0 0 "[ . 1 . 2]" 1
78 1 37 TYR QE 1 65 ARG QD 6.930 . 7.430 4.487 3.087 5.530 . 0 0 "[ . 1 . 2]" 1
79 1 83 ARG QD 1 84 TYR QE 6.930 . 7.430 3.742 2.917 5.100 . 0 0 "[ . 1 . 2]" 1
80 1 37 TYR QE 1 65 ARG QB 5.810 . 6.170 3.487 3.074 4.458 . 0 0 "[ . 1 . 2]" 1
81 1 37 TYR QE 1 77 VAL QG 7.280 . 7.780 2.114 1.964 2.854 . 0 0 "[ . 1 . 2]" 1
82 1 68 PHE QD 1 71 TYR QE 5.720 . 6.220 4.560 4.468 4.620 . 0 0 "[ . 1 . 2]" 1
83 1 71 TYR QE 1 96 PHE HZ 6.170 . 6.670 5.468 5.225 5.561 . 0 0 "[ . 1 . 2]" 1
84 1 71 TYR QE 1 109 MET HA 6.080 . 6.580 5.381 5.252 5.434 . 0 0 "[ . 1 . 2]" 1
85 1 68 PHE HA 1 71 TYR QE 4.270 . 4.770 2.966 2.831 3.146 . 0 0 "[ . 1 . 2]" 1
86 1 71 TYR HA 1 71 TYR QE 5.380 . 5.880 4.640 4.519 4.708 . 0 0 "[ . 1 . 2]" 1
87 1 71 TYR QE 1 104 ASP HB3 5.960 . 6.460 4.494 4.366 4.625 . 0 0 "[ . 1 . 2]" 1
88 1 71 TYR QE 1 105 ALA HA 4.150 . 4.650 3.359 3.252 3.431 . 0 0 "[ . 1 . 2]" 1
89 1 67 VAL HB 1 71 TYR QE 6.170 . 6.670 5.240 4.449 5.669 . 0 0 "[ . 1 . 2]" 1
90 1 71 TYR QE 1 109 MET QG . . 5.980 3.115 2.960 3.222 . 0 0 "[ . 1 . 2]" 1
91 1 71 TYR QE 1 109 MET ME 5.080 . 5.580 2.064 1.999 2.132 . 0 0 "[ . 1 . 2]" 1
92 1 71 TYR QE 1 108 ALA MB 4.270 . 4.770 1.904 1.880 1.937 . 0 0 "[ . 1 . 2]" 1
93 1 78 TYR HA 1 78 TYR QE 5.400 . 5.900 4.202 4.061 4.324 . 0 0 "[ . 1 . 2]" 1
94 1 91 PHE QD 1 92 ALA HA 5.770 . 6.270 3.699 3.406 4.188 . 0 0 "[ . 1 . 2]" 1
95 1 53 ASP HA 1 91 PHE QD 5.430 . 5.930 4.107 3.395 4.837 . 0 0 "[ . 1 . 2]" 1
96 1 79 ILE HA 1 91 PHE QD 6.090 . 6.590 4.978 4.677 5.402 . 0 0 "[ . 1 . 2]" 1
97 1 90 GLY QA 1 91 PHE QD 6.930 . 7.430 3.570 3.290 3.876 . 0 0 "[ . 1 . 2]" 1
98 1 91 PHE QD 1 92 ALA MB 7.410 . 7.910 4.329 4.121 4.466 . 0 0 "[ . 1 . 2]" 1
99 1 53 ASP HA 1 91 PHE HA 4.390 . 4.890 4.080 3.515 4.463 . 0 0 "[ . 1 . 2]" 1
100 1 55 LEU HG 1 91 PHE HA 4.450 . 4.950 3.008 2.045 4.476 . 0 0 "[ . 1 . 2]" 1
101 1 55 LEU QD 1 91 PHE HA . . 5.760 2.322 1.892 3.317 . 0 0 "[ . 1 . 2]" 1
102 1 50 LEU QB 1 95 ARG HA 5.900 . 6.400 3.636 3.106 4.449 . 0 0 "[ . 1 . 2]" 1
103 1 53 ASP HA 1 91 PHE QB 5.160 . 5.660 3.523 3.144 4.462 . 0 0 "[ . 1 . 2]" 1
104 1 52 VAL HB 1 53 ASP HA 4.900 . 5.400 4.781 4.653 4.909 . 0 0 "[ . 1 . 2]" 1
105 1 49 SER HA 1 50 LEU QB 5.720 . 6.220 4.252 3.914 4.586 . 0 0 "[ . 1 . 2]" 1
106 1 49 SER HA 1 95 ARG QB 5.050 . 5.550 4.439 4.058 4.559 . 0 0 "[ . 1 . 2]" 1
107 1 53 ASP HA 1 55 LEU HG 5.430 . 5.930 4.479 3.849 5.443 . 0 0 "[ . 1 . 2]" 1
108 1 53 ASP HA 1 92 ALA MB 6.610 . 7.110 3.081 2.535 3.822 . 0 0 "[ . 1 . 2]" 1
109 1 53 ASP HA 1 55 LEU QD . . 7.290 3.444 2.233 4.659 . 0 0 "[ . 1 . 2]" 1
110 1 110 ASP QB 1 120 ARG HA . . 5.520 4.161 4.037 4.401 . 0 0 "[ . 1 . 2]" 1
111 1 119 LEU HB2 1 120 ARG HA 5.180 . 5.680 4.832 4.647 5.021 . 0 0 "[ . 1 . 2]" 1
112 1 119 LEU QD 1 120 ARG HA 7.330 . 7.830 5.209 5.043 5.290 . 0 0 "[ . 1 . 2]" 1
113 1 78 TYR HA 1 78 TYR QD 4.280 . 4.780 2.167 1.934 2.447 . 0 0 "[ . 1 . 2]" 1
114 1 69 GLU HA 1 96 PHE HZ 5.500 . 6.000 5.013 4.773 5.216 . 0 0 "[ . 1 . 2]" 1
115 1 69 GLU HA 1 72 GLY QA 6.170 . 6.670 4.985 4.536 5.290 . 0 0 "[ . 1 . 2]" 1
116 1 52 VAL HB 1 121 VAL HA 4.980 . 5.480 5.047 4.963 5.105 . 0 0 "[ . 1 . 2]" 1
117 1 68 PHE QE 1 121 VAL HA 6.170 . 6.670 5.469 5.275 5.577 . 0 0 "[ . 1 . 2]" 1
118 1 94 VAL QG 1 96 PHE HA 7.310 . 7.810 4.837 4.349 5.487 . 0 0 "[ . 1 . 2]" 1
119 1 73 ARG QG 1 96 PHE HA 5.880 . 6.380 3.878 2.928 4.810 . 0 0 "[ . 1 . 2]" 1
120 1 75 GLY QA 1 96 PHE HA 4.840 . 5.340 3.083 2.315 4.150 . 0 0 "[ . 1 . 2]" 1
121 1 59 THR MG 1 60 SER HA 6.030 . 6.530 3.745 3.582 3.910 . 0 0 "[ . 1 . 2]" 1
122 1 55 LEU QD 1 60 SER HA 7.410 . 7.910 4.174 3.007 5.347 . 0 0 "[ . 1 . 2]" 1
123 1 60 SER HA 1 64 LEU QD 6.120 . 6.620 4.498 4.214 4.591 . 0 0 "[ . 1 . 2]" 1
124 1 79 ILE HA 1 92 ALA HA 4.010 . 4.510 2.395 2.172 2.749 . 0 0 "[ . 1 . 2]" 1
125 1 80 PRO QD 1 92 ALA HA 5.120 . 5.620 2.993 2.576 3.378 . 0 0 "[ . 1 . 2]" 1
126 1 91 PHE QE 1 92 ALA HA 6.170 . 6.670 4.456 4.265 4.756 . 0 0 "[ . 1 . 2]" 1
127 1 37 TYR HA 1 37 TYR QE 5.990 . 6.490 4.634 4.461 4.802 . 0 0 "[ . 1 . 2]" 1
128 1 74 VAL QG 1 76 ASP HA 6.340 . 6.840 3.749 3.321 4.506 . 0 0 "[ . 1 . 2]" 1
129 1 74 VAL QG 1 77 VAL HA 6.970 . 7.470 4.150 3.647 4.544 . 0 0 "[ . 1 . 2]" 1
130 1 77 VAL HA 1 94 VAL HA 3.560 . 4.060 1.963 1.870 2.083 . 0 0 "[ . 1 . 2]" 1
131 1 75 GLY QA 1 76 ASP HA 6.170 . 6.670 4.145 4.068 4.195 . 0 0 "[ . 1 . 2]" 1
132 1 81 ARG HA 1 91 PHE HZ 5.500 . 6.000 4.234 2.701 5.524 . 0 0 "[ . 1 . 2]" 1
133 1 112 ALA MB 1 113 VAL HA 6.610 . 7.110 4.038 3.946 4.099 . 0 0 "[ . 1 . 2]" 1
134 1 118 GLU HB3 1 119 LEU HA 4.540 . 5.040 4.335 4.229 4.502 . 0 0 "[ . 1 . 2]" 1
135 1 114 LEU HA 1 114 LEU HG 4.090 . 4.590 3.509 2.349 3.761 . 0 0 "[ . 1 . 2]" 1
136 1 68 PHE HA 1 71 TYR HB2 4.100 . 4.600 3.666 3.390 3.761 . 0 0 "[ . 1 . 2]" 1
137 1 68 PHE HA 1 96 PHE HZ 4.600 . 5.100 3.458 3.091 3.658 . 0 0 "[ . 1 . 2]" 1
138 1 68 PHE HA 1 96 PHE QE 5.540 . 6.040 4.587 4.269 4.741 . 0 0 "[ . 1 . 2]" 1
139 1 68 PHE HA 1 68 PHE QE 5.320 . 5.820 4.527 4.444 4.584 . 0 0 "[ . 1 . 2]" 1
140 1 110 ASP HA 1 120 ARG HA 4.550 . 5.050 2.725 2.554 3.025 . 0 0 "[ . 1 . 2]" 1
141 1 110 ASP HA 1 121 VAL QG 4.620 . 5.120 2.680 2.236 3.107 . 0 0 "[ . 1 . 2]" 1
142 1 85 THR HB 1 87 GLU QG 4.700 . 4.890 2.964 2.260 3.931 . 0 0 "[ . 1 . 2]" 1
143 1 109 MET QB 1 110 ASP HA 4.310 . 4.810 3.890 3.863 3.919 . 0 0 "[ . 1 . 2]" 1
144 1 55 LEU QD 1 56 THR HA 5.760 . 6.260 3.966 3.529 4.386 . 0 0 "[ . 1 . 2]" 1
145 1 97 HIS HA 1 98 ASP HA 4.890 . 5.390 4.442 4.334 4.590 . 0 0 "[ . 1 . 2]" 1
146 1 132 SER HA 1 134 HIS HE1 5.500 . 6.000 5.191 3.481 5.535 . 0 0 "[ . 1 . 2]" 1
147 1 63 THR HB 1 67 VAL HB 4.530 . 5.030 4.673 4.478 4.779 . 0 0 "[ . 1 . 2]" 1
148 1 59 THR MG 1 63 THR HB 4.840 . 5.340 2.946 2.177 3.721 . 0 0 "[ . 1 . 2]" 1
149 1 70 LYS QG 1 71 TYR HA 5.080 . 5.580 3.333 3.239 3.436 . 0 0 "[ . 1 . 2]" 1
150 1 71 TYR HA 1 71 TYR QD 3.830 . 4.330 3.076 3.036 3.115 . 0 0 "[ . 1 . 2]" 1
151 1 78 TYR QE 1 79 ILE HA 6.170 . 6.670 5.381 4.892 5.553 . 0 0 "[ . 1 . 2]" 1
152 1 77 VAL QG 1 94 VAL HA 5.310 . 5.810 3.189 2.469 3.726 . 0 0 "[ . 1 . 2]" 1
153 1 71 TYR QD 1 101 ASP HA 6.170 . 6.670 5.421 5.158 5.551 . 0 0 "[ . 1 . 2]" 1
154 1 96 PHE QD 1 101 ASP HA 6.170 . 6.670 4.867 4.386 5.272 . 0 0 "[ . 1 . 2]" 1
155 1 71 TYR QE 1 108 ALA HA 5.500 . 6.000 4.751 4.702 4.801 . 0 0 "[ . 1 . 2]" 1
156 1 100 ARG HA 1 103 GLU QG . . 5.070 4.094 4.036 4.130 . 0 0 "[ . 1 . 2]" 1
157 1 66 ARG HA 1 69 GLU QB 4.030 . 4.290 2.358 2.299 2.432 . 0 0 "[ . 1 . 2]" 1
158 1 65 ARG QG 1 66 ARG HA 4.290 . 4.790 3.373 3.171 3.626 . 0 0 "[ . 1 . 2]" 1
159 1 59 THR HA 1 63 THR MG 5.040 . 5.540 4.016 3.489 4.240 . 0 0 "[ . 1 . 2]" 1
160 1 64 LEU HA 1 94 VAL QG 6.560 . 7.060 3.842 3.569 4.081 . 0 0 "[ . 1 . 2]" 1
161 1 58 ARG HB2 1 59 THR HA 4.760 . 5.260 4.523 4.105 4.792 . 0 0 "[ . 1 . 2]" 1
162 1 64 LEU HA 1 64 LEU HG 3.730 . 4.230 3.014 2.852 3.156 . 0 0 "[ . 1 . 2]" 1
163 1 64 LEU HA 1 67 VAL QG 4.260 . 4.760 2.430 1.788 2.872 0.012 15 0 "[ . 1 . 2]" 1
164 1 55 LEU QB 1 59 THR HB . . 4.310 2.416 1.950 3.445 . 0 0 "[ . 1 . 2]" 1
165 1 56 THR MG 1 59 THR HB 5.780 . 6.280 4.547 3.882 4.843 . 0 0 "[ . 1 . 2]" 1
166 1 55 LEU QD 1 59 THR HB 4.080 . 4.580 1.964 1.760 2.109 0.040 16 0 "[ . 1 . 2]" 1
167 1 61 PRO HA 1 79 ILE MD 4.670 . 5.170 2.888 2.503 3.212 . 0 0 "[ . 1 . 2]" 1
168 1 37 TYR QD 1 38 GLY QA 6.930 . 7.430 5.318 5.215 5.540 . 0 0 "[ . 1 . 2]" 1
169 1 49 SER QB 1 93 PHE QE 6.930 . 7.430 4.450 3.665 5.548 . 0 0 "[ . 1 . 2]" 1
170 1 49 SER QB 1 50 LEU HA 5.440 . 5.940 4.453 4.148 4.879 . 0 0 "[ . 1 . 2]" 1
171 1 79 ILE MG 1 88 SER QB 6.970 . 7.470 4.665 4.113 4.949 . 0 0 "[ . 1 . 2]" 1
172 1 88 SER QB 1 91 PHE HZ 6.170 . 6.670 4.500 2.775 5.517 . 0 0 "[ . 1 . 2]" 1
173 1 67 VAL HA 1 68 PHE QD 6.170 . 6.670 4.982 4.719 5.273 . 0 0 "[ . 1 . 2]" 1
174 1 62 ASP QB 1 63 THR HA 5.070 . 5.570 4.149 3.888 4.462 . 0 0 "[ . 1 . 2]" 1
175 1 66 ARG QG 1 67 VAL HA 4.820 . 5.320 3.600 2.980 3.736 . 0 0 "[ . 1 . 2]" 1
176 1 67 VAL HA 1 71 TYR QD 6.170 . 6.670 5.382 5.139 5.515 . 0 0 "[ . 1 . 2]" 1
177 1 70 LYS HA 1 71 TYR QD 6.170 . 6.670 4.926 4.863 4.987 . 0 0 "[ . 1 . 2]" 1
178 1 67 VAL HA 1 71 TYR QE 5.590 . 6.090 4.540 4.326 4.708 . 0 0 "[ . 1 . 2]" 1
179 1 99 LYS HA 1 103 GLU QG 4.570 . 5.070 3.533 3.333 3.799 . 0 0 "[ . 1 . 2]" 1
180 1 83 ARG HA 1 84 TYR QD 5.780 . 6.280 5.055 4.877 5.172 . 0 0 "[ . 1 . 2]" 1
181 1 88 SER QB 1 91 PHE QE 6.920 . 7.420 2.790 2.013 4.003 . 0 0 "[ . 1 . 2]" 1
182 1 111 GLY HA2 1 112 ALA MB 5.840 . 6.340 4.853 4.832 4.877 . 0 0 "[ . 1 . 2]" 1
183 1 96 PHE HB3 1 98 ASP HA 5.500 . 6.000 5.526 5.361 5.630 . 0 0 "[ . 1 . 2]" 1
184 1 106 MET HA 1 121 VAL HA 5.500 . 6.000 5.248 5.044 5.542 . 0 0 "[ . 1 . 2]" 1
185 1 48 THR MG 1 49 SER QB 7.410 . 7.910 4.437 3.976 4.830 . 0 0 "[ . 1 . 2]" 1
186 1 73 ARG QG 1 75 GLY QA 4.750 . 5.250 3.455 2.767 3.800 . 0 0 "[ . 1 . 2]" 1
187 1 97 HIS QB 1 98 ASP HA 6.170 . 6.670 4.456 4.106 4.894 . 0 0 "[ . 1 . 2]" 1
188 1 120 ARG QD 1 121 VAL HA 6.170 . 6.670 5.379 5.169 5.559 . 0 0 "[ . 1 . 2]" 1
189 1 80 PRO QD 1 93 PHE QD 5.590 . 6.090 3.570 3.206 4.064 . 0 0 "[ . 1 . 2]" 1
190 1 58 ARG HA 1 58 ARG QD 3.960 . 4.460 2.158 1.972 3.534 . 0 0 "[ . 1 . 2]" 1
191 1 67 VAL QG 1 68 PHE HB2 5.840 . 6.340 3.817 3.378 4.132 . 0 0 "[ . 1 . 2]" 1
192 1 117 ARG QD 1 119 LEU QD 7.250 . 7.750 3.345 1.914 4.578 . 0 0 "[ . 1 . 2]" 1
193 1 71 TYR QD 1 104 ASP HB3 4.580 . 5.080 3.043 2.784 3.242 . 0 0 "[ . 1 . 2]" 1
194 1 70 LYS QE 1 71 TYR QD 5.590 . 6.090 4.222 4.050 4.278 . 0 0 "[ . 1 . 2]" 1
195 1 76 ASP QB 1 94 VAL QG 8.320 . 8.820 4.688 4.011 5.450 . 0 0 "[ . 1 . 2]" 1
196 1 49 SER HA 1 95 ARG QD 5.980 . 6.480 2.858 2.185 3.932 . 0 0 "[ . 1 . 2]" 1
197 1 55 LEU QD 1 91 PHE QB . . 7.970 3.478 2.644 4.448 . 0 0 "[ . 1 . 2]" 1
198 1 53 ASP QB 1 91 PHE QD 6.380 . 6.880 3.056 2.184 3.869 . 0 0 "[ . 1 . 2]" 1
199 1 91 PHE QD 1 93 PHE QB 6.780 . 7.280 4.067 3.843 4.338 . 0 0 "[ . 1 . 2]" 1
200 1 107 ASP HB2 1 108 ALA MB 6.550 . 7.050 5.032 5.006 5.068 . 0 0 "[ . 1 . 2]" 1
201 1 50 LEU QD 1 123 MET QG . . 7.100 2.907 2.747 3.140 . 0 0 "[ . 1 . 2]" 1
202 1 66 ARG HA 1 69 GLU QG 4.760 . 5.260 4.285 3.969 4.340 . 0 0 "[ . 1 . 2]" 1
203 1 53 ASP QB 1 91 PHE HA 6.170 . 6.670 4.209 3.524 4.984 . 0 0 "[ . 1 . 2]" 1
204 1 82 ASP QB 1 85 THR MG 5.720 . 6.220 3.564 2.948 4.144 . 0 0 "[ . 1 . 2]" 1
205 1 80 PRO QB 1 81 ARG QB 6.930 . 7.430 5.051 4.647 5.563 . 0 0 "[ . 1 . 2]" 1
206 1 78 TYR QE 1 80 PRO QB 6.690 . 7.190 3.138 2.024 4.368 . 0 0 "[ . 1 . 2]" 1
207 1 50 LEU QD 1 106 MET HG2 4.830 . 5.330 3.556 3.332 3.626 . 0 0 "[ . 1 . 2]" 1
208 1 103 GLU HA 1 106 MET ME 3.160 . 3.660 1.967 1.929 2.007 . 0 0 "[ . 1 . 2]" 1
209 1 68 PHE QE 1 109 MET QB 4.410 . 4.910 2.844 2.526 2.988 . 0 0 "[ . 1 . 2]" 1
210 1 68 PHE HZ 1 109 MET QB 4.370 . 4.870 2.929 2.780 3.130 . 0 0 "[ . 1 . 2]" 1
211 1 118 GLU HB2 1 118 GLU HG3 2.400 . 2.900 2.446 2.434 2.458 . 0 0 "[ . 1 . 2]" 1
212 1 77 VAL HB 1 94 VAL QG 6.930 . 7.430 2.558 2.231 4.801 . 0 0 "[ . 1 . 2]" 1
213 1 106 MET HA 1 109 MET QG 5.660 . 6.160 4.457 4.351 4.665 . 0 0 "[ . 1 . 2]" 1
214 1 120 ARG HB3 1 120 ARG QD 3.740 . 4.240 2.431 2.273 2.875 . 0 0 "[ . 1 . 2]" 1
215 1 120 ARG HB3 1 122 GLN QE 3.460 . 3.960 2.937 2.155 3.102 . 0 0 "[ . 1 . 2]" 1
216 1 120 ARG QG 1 122 GLN QE 6.240 . 6.740 4.650 3.982 4.869 . 0 0 "[ . 1 . 2]" 1
217 1 64 LEU HG 1 94 VAL QG 6.470 . 6.970 4.196 3.969 4.366 . 0 0 "[ . 1 . 2]" 1
218 1 81 ARG QG 1 86 LYS HA 4.970 . 5.470 2.407 1.947 3.439 . 0 0 "[ . 1 . 2]" 1
219 1 109 MET HA 1 109 MET ME 5.360 . 5.860 4.362 4.259 4.429 . 0 0 "[ . 1 . 2]" 1
220 1 55 LEU HG 1 59 THR HB 4.230 . 4.730 3.976 2.881 4.385 . 0 0 "[ . 1 . 2]" 1
221 1 112 ALA MB 1 119 LEU QD . . 5.050 2.108 2.009 2.251 . 0 0 "[ . 1 . 2]" 1
222 1 114 LEU HG 1 115 ASP QB 5.320 . 5.820 3.517 2.340 4.481 . 0 0 "[ . 1 . 2]" 1
223 1 115 ASP QB 1 117 ARG HG2 5.540 . 6.040 3.745 2.492 4.689 . 0 0 "[ . 1 . 2]" 1
224 1 56 THR MG 1 115 ASP QB 4.760 . 5.260 2.385 1.982 3.075 . 0 0 "[ . 1 . 2]" 1
225 1 55 LEU QB 1 91 PHE HA 6.170 . 6.670 4.349 2.592 4.771 . 0 0 "[ . 1 . 2]" 1
226 1 71 TYR QE 1 105 ALA MB 6.310 . 6.810 4.552 4.450 4.627 . 0 0 "[ . 1 . 2]" 1
227 1 50 LEU HA 1 102 ALA MB 5.990 . 6.490 4.187 3.893 4.330 . 0 0 "[ . 1 . 2]" 1
228 1 95 ARG QG 1 96 PHE HA 6.170 . 6.670 3.778 3.115 4.566 . 0 0 "[ . 1 . 2]" 1
229 1 96 PHE HA 1 102 ALA MB 6.610 . 7.110 4.928 4.784 5.234 . 0 0 "[ . 1 . 2]" 1
230 1 96 PHE HB3 1 102 ALA MB 4.820 . 5.320 2.969 2.757 3.411 . 0 0 "[ . 1 . 2]" 1
231 1 60 SER QB 1 63 THR MG 6.430 . 6.930 3.926 2.858 4.802 . 0 0 "[ . 1 . 2]" 1
232 1 78 TYR HA 1 79 ILE QG 5.240 . 5.740 3.762 3.667 3.942 . 0 0 "[ . 1 . 2]" 1
233 1 79 ILE QG 1 91 PHE HA 6.170 . 6.670 5.546 5.515 5.592 . 0 0 "[ . 1 . 2]" 1
234 1 79 ILE QG 1 92 ALA MB 4.540 . 5.040 2.179 2.006 2.554 . 0 0 "[ . 1 . 2]" 1
235 1 48 THR MG 1 99 LYS HA 3.870 . 4.370 2.337 2.010 2.806 . 0 0 "[ . 1 . 2]" 1
236 1 48 THR MG 1 96 PHE HB3 6.500 . 7.000 4.500 3.885 4.810 . 0 0 "[ . 1 . 2]" 1
237 1 50 LEU QB 1 96 PHE HB3 6.170 . 6.670 3.703 3.605 3.850 . 0 0 "[ . 1 . 2]" 1
238 1 48 THR MG 1 99 LYS QB 5.490 . 5.990 3.252 2.579 4.074 . 0 0 "[ . 1 . 2]" 1
239 1 55 LEU QD 1 59 THR MG . . 5.840 2.423 1.935 3.081 . 0 0 "[ . 1 . 2]" 1
240 1 68 PHE HA 1 70 LYS QG . . 4.810 3.299 3.216 3.459 . 0 0 "[ . 1 . 2]" 1
241 1 59 THR MG 1 68 PHE QE 7.170 . 7.670 5.022 4.692 5.364 . 0 0 "[ . 1 . 2]" 1
242 1 67 VAL QG 1 68 PHE QE . . 6.040 2.750 2.563 2.909 . 0 0 "[ . 1 . 2]" 1
243 1 71 TYR QD 1 108 ALA MB 5.550 . 6.050 3.440 3.327 3.510 . 0 0 "[ . 1 . 2]" 1
244 1 68 PHE QE 1 121 VAL QG . . 5.860 2.570 2.165 3.045 . 0 0 "[ . 1 . 2]" 1
245 1 68 PHE HZ 1 121 VAL QG 5.960 . 6.460 3.348 2.820 4.167 . 0 0 "[ . 1 . 2]" 1
246 1 108 ALA MB 1 109 MET HA 5.270 . 5.770 4.206 4.156 4.236 . 0 0 "[ . 1 . 2]" 1
247 1 110 ASP QB 1 121 VAL QG . . 6.280 2.807 2.033 3.345 . 0 0 "[ . 1 . 2]" 1
248 1 70 LYS QG 1 71 TYR QE 6.340 . 6.840 2.575 2.535 2.656 . 0 0 "[ . 1 . 2]" 1
249 1 50 LEU QD 1 96 PHE QD . . 6.460 2.316 2.127 2.808 . 0 0 "[ . 1 . 2]" 1
250 1 50 LEU QD 1 122 GLN HA 5.880 . 6.380 2.465 2.203 2.614 . 0 0 "[ . 1 . 2]" 1
251 1 50 LEU QD 1 103 GLU HA 7.200 . 7.700 3.905 3.689 4.306 . 0 0 "[ . 1 . 2]" 1
252 1 50 LEU QD 1 106 MET QB 5.780 . 5.980 2.280 2.116 2.501 . 0 0 "[ . 1 . 2]" 1
253 1 61 PRO HA 1 77 VAL QG 4.880 . 5.380 3.154 2.833 3.341 . 0 0 "[ . 1 . 2]" 1
254 1 113 VAL QG 1 116 GLY QA . . 5.570 2.470 2.402 2.528 . 0 0 "[ . 1 . 2]" 1
255 1 64 LEU QD 1 67 VAL QG 5.000 . 5.500 2.629 2.322 2.813 . 0 0 "[ . 1 . 2]" 1
256 1 67 VAL QG 1 68 PHE HA 5.770 . 6.270 3.400 3.219 3.605 . 0 0 "[ . 1 . 2]" 1
257 1 67 VAL QG 1 71 TYR QD 8.020 . 8.520 4.560 4.055 4.932 . 0 0 "[ . 1 . 2]" 1
258 1 77 VAL QG 1 78 TYR HA 7.410 . 7.540 3.338 3.131 3.541 . 0 0 "[ . 1 . 2]" 1
259 1 68 PHE HZ 1 119 LEU QD 5.590 . 6.090 3.649 2.474 4.154 . 0 0 "[ . 1 . 2]" 1
260 1 109 MET HA 1 119 LEU QD 5.470 . 5.970 3.844 3.324 4.105 . 0 0 "[ . 1 . 2]" 1
261 1 54 ASN HB2 1 119 LEU QD 6.860 . 7.270 4.695 4.029 5.101 . 0 0 "[ . 1 . 2]" 1
262 1 114 LEU QB 1 119 LEU QD 4.890 . 5.390 1.909 1.820 2.032 . 0 0 "[ . 1 . 2]" 1
263 1 54 ASN HB3 1 119 LEU QD . . 5.780 3.306 2.620 3.915 . 0 0 "[ . 1 . 2]" 1
264 1 113 VAL QG 1 114 LEU HA 6.480 . 6.980 3.654 2.972 4.114 . 0 0 "[ . 1 . 2]" 1
265 1 113 VAL QG 1 117 ARG HA 7.310 . 7.810 3.879 3.538 4.137 . 0 0 "[ . 1 . 2]" 1
266 1 79 ILE MG 1 92 ALA HA 5.040 . 5.540 2.935 2.588 3.333 . 0 0 "[ . 1 . 2]" 1
267 1 64 LEU QD 1 68 PHE QD . . 5.710 2.946 2.754 3.087 . 0 0 "[ . 1 . 2]" 1
268 1 64 LEU QD 1 68 PHE QE . . 5.310 2.120 1.987 2.272 . 0 0 "[ . 1 . 2]" 1
269 1 61 PRO QD 1 64 LEU QD 8.320 . 8.820 4.369 3.977 4.624 . 0 0 "[ . 1 . 2]" 1
270 1 61 PRO QD 1 79 ILE MG 7.410 . 7.910 4.201 3.916 4.448 . 0 0 "[ . 1 . 2]" 1
271 1 59 THR MG 1 64 LEU QD . . 5.470 2.047 1.893 2.641 . 0 0 "[ . 1 . 2]" 1
272 1 79 ILE MD 1 80 PRO QD 6.870 . 7.370 4.856 4.716 4.946 . 0 0 "[ . 1 . 2]" 1
273 1 74 VAL QG 1 96 PHE QD . . 8.100 4.358 3.825 4.629 . 0 0 "[ . 1 . 2]" 1
274 1 74 VAL QG 1 96 PHE QE . . 6.660 3.601 2.863 4.068 . 0 0 "[ . 1 . 2]" 1
275 1 69 GLU QB 1 74 VAL QG 7.170 . 7.320 2.502 2.066 3.086 . 0 0 "[ . 1 . 2]" 1
276 1 68 PHE HA 1 94 VAL QG 7.410 . 7.910 4.842 4.393 5.253 . 0 0 "[ . 1 . 2]" 1
277 1 68 PHE HB2 1 94 VAL QG 5.860 . 6.360 2.765 2.351 3.250 . 0 0 "[ . 1 . 2]" 1
278 1 52 VAL HB 1 94 VAL QG 4.880 . 5.380 2.475 1.787 2.997 0.013 6 0 "[ . 1 . 2]" 1
279 1 52 VAL MG1 1 94 VAL QG 5.160 . 5.660 2.726 2.149 3.127 . 0 0 "[ . 1 . 2]" 1
280 1 52 VAL MG2 1 94 VAL QG 5.000 . 5.500 2.747 1.847 2.968 . 0 0 "[ . 1 . 2]" 1
281 1 74 VAL QG 1 94 VAL QG 5.290 . 5.790 2.318 1.890 2.974 . 0 0 "[ . 1 . 2]" 1
282 1 64 LEU HB2 1 94 VAL QG 5.570 . 6.070 2.710 2.627 2.806 . 0 0 "[ . 1 . 2]" 1
283 1 56 THR HB 1 57 TYR QD 5.510 . 6.010 3.470 2.916 3.968 . 0 0 "[ . 1 . 2]" 1
284 1 56 THR HB 1 117 ARG QB 6.170 . 6.670 5.437 4.791 5.559 . 0 0 "[ . 1 . 2]" 1
285 1 85 THR HB 1 86 LYS H 4.440 . 4.940 4.232 3.979 4.373 . 0 0 "[ . 1 . 2]" 1
286 1 85 THR HB 1 87 GLU H 5.500 . 6.000 4.094 3.506 4.645 . 0 0 "[ . 1 . 2]" 1
287 1 85 THR HB 1 87 GLU QB 6.170 . 6.670 3.813 3.077 4.339 . 0 0 "[ . 1 . 2]" 1
288 1 63 THR H 1 63 THR HB 3.770 . 4.270 3.220 2.822 3.606 . 0 0 "[ . 1 . 2]" 1
289 1 59 THR HB 1 60 SER H 4.690 . 5.190 3.602 3.453 3.708 . 0 0 "[ . 1 . 2]" 1
290 1 63 THR HA 1 66 ARG QB 4.480 . 4.980 3.169 2.765 3.377 . 0 0 "[ . 1 . 2]" 1
291 1 63 THR HA 1 66 ARG QD 5.030 . 5.530 4.252 3.441 4.442 . 0 0 "[ . 1 . 2]" 1
292 1 67 VAL HA 1 70 LYS H 5.090 . 5.590 4.490 4.198 4.704 . 0 0 "[ . 1 . 2]" 1
293 1 60 SER QB 1 61 PRO QG . . 5.740 3.595 3.456 3.701 . 0 0 "[ . 1 . 2]" 1
294 1 59 THR HA 1 60 SER H 3.540 . 4.040 2.460 2.389 2.549 . 0 0 "[ . 1 . 2]" 1
295 1 49 SER QB 1 124 ALA H 5.930 . 6.430 3.083 2.599 3.637 . 0 0 "[ . 1 . 2]" 1
296 1 49 SER QB 1 124 ALA MB 5.770 . 6.270 2.162 1.874 2.550 . 0 0 "[ . 1 . 2]" 1
297 1 82 ASP H 1 88 SER QB 4.640 . 5.140 3.294 2.014 4.196 . 0 0 "[ . 1 . 2]" 1
298 1 88 SER QB 1 89 ARG H 4.770 . 5.270 3.669 2.453 3.947 . 0 0 "[ . 1 . 2]" 1
299 1 81 ARG HA 1 88 SER QB 3.370 . 3.870 2.179 1.944 2.554 . 0 0 "[ . 1 . 2]" 1
300 1 87 GLU QB 1 88 SER QB 6.930 . 7.430 5.159 4.001 5.542 . 0 0 "[ . 1 . 2]" 1
301 1 81 ARG QD 1 88 SER QB 6.930 . 7.340 4.433 2.686 5.226 . 0 0 "[ . 1 . 2]" 1
302 1 42 PRO HA 1 43 ASP QB 5.380 . 5.880 4.742 4.277 4.889 . 0 0 "[ . 1 . 2]" 1
303 1 42 PRO HA 1 44 VAL H 4.640 . 5.140 3.821 3.229 4.142 . 0 0 "[ . 1 . 2]" 1
304 1 44 VAL HA 1 47 MET ME 4.140 . 4.640 2.613 1.988 3.480 . 0 0 "[ . 1 . 2]" 1
305 1 44 VAL HA 1 47 MET QB 5.050 . 5.550 2.884 2.090 3.860 . 0 0 "[ . 1 . 2]" 1
306 1 85 THR HA 1 85 THR HB 2.970 . 3.470 2.417 2.386 2.448 . 0 0 "[ . 1 . 2]" 1
307 1 82 ASP QB 1 85 THR HA 6.160 . 6.660 4.645 4.324 5.134 . 0 0 "[ . 1 . 2]" 1
308 1 84 TYR QB 1 85 THR HA 6.170 . 6.670 4.197 4.084 4.329 . 0 0 "[ . 1 . 2]" 1
309 1 84 TYR HA 1 85 THR HA 4.630 . 5.130 4.567 4.523 4.616 . 0 0 "[ . 1 . 2]" 1
310 1 74 VAL HA 1 96 PHE QD 5.840 . 6.340 3.564 3.065 3.999 . 0 0 "[ . 1 . 2]" 1
311 1 74 VAL HA 1 96 PHE HA 4.180 . 4.680 3.584 2.982 3.997 . 0 0 "[ . 1 . 2]" 1
312 1 74 VAL HA 1 75 GLY QA 6.030 . 6.530 4.189 3.961 4.319 . 0 0 "[ . 1 . 2]" 1
313 1 73 ARG HA 1 74 VAL HA 4.710 . 5.210 4.437 4.327 4.521 . 0 0 "[ . 1 . 2]" 1
314 1 56 THR HA 1 57 TYR QD 5.070 . 5.570 3.754 3.604 4.093 . 0 0 "[ . 1 . 2]" 1
315 1 56 THR HA 1 58 ARG H 4.390 . 4.890 3.874 3.762 3.966 . 0 0 "[ . 1 . 2]" 1
316 1 103 GLU HA 1 107 ASP H 4.510 . 5.010 4.205 4.148 4.279 . 0 0 "[ . 1 . 2]" 1
317 1 99 LYS HA 1 99 LYS QE 5.080 . 5.580 4.010 2.550 4.412 . 0 0 "[ . 1 . 2]" 1
318 1 106 MET HA 1 107 ASP HA 4.800 . 5.300 4.786 4.762 4.805 . 0 0 "[ . 1 . 2]" 1
319 1 102 ALA MB 1 103 GLU HA 5.190 . 5.690 3.832 3.782 3.905 . 0 0 "[ . 1 . 2]" 1
320 1 105 ALA MB 1 106 MET HA 5.580 . 6.080 3.952 3.900 3.982 . 0 0 "[ . 1 . 2]" 1
321 1 106 MET HA 1 121 VAL QG 4.300 . 4.800 2.193 1.774 2.511 0.026 1 0 "[ . 1 . 2]" 1
322 1 48 THR MG 1 49 SER HA 6.050 . 6.550 3.876 3.450 4.794 . 0 0 "[ . 1 . 2]" 1
323 1 49 SER HA 1 95 ARG QG 6.170 . 6.670 2.493 1.952 4.001 . 0 0 "[ . 1 . 2]" 1
324 1 57 TYR HA 1 57 TYR QD 4.340 . 4.840 3.756 3.738 3.762 . 0 0 "[ . 1 . 2]" 1
325 1 66 ARG HA 1 69 GLU HA 4.980 . 5.480 4.991 4.806 5.088 . 0 0 "[ . 1 . 2]" 1
326 1 88 SER H 1 89 ARG HA 5.170 . 5.670 4.592 4.254 5.001 . 0 0 "[ . 1 . 2]" 1
327 1 81 ARG H 1 89 ARG HA 5.500 . 6.000 4.689 4.256 5.518 . 0 0 "[ . 1 . 2]" 1
328 1 81 ARG QG 1 89 ARG HA 5.160 . 5.660 3.923 2.813 4.610 . 0 0 "[ . 1 . 2]" 1
329 1 79 ILE MG 1 89 ARG HA 5.190 . 5.690 2.733 2.357 3.248 . 0 0 "[ . 1 . 2]" 1
330 1 69 GLU HA 1 74 VAL HB 5.250 . 5.750 4.114 2.205 5.297 . 0 0 "[ . 1 . 2]" 1
331 1 65 ARG HA 1 69 GLU HA 5.500 . 6.000 5.543 5.464 5.638 . 0 0 "[ . 1 . 2]" 1
332 1 69 GLU HA 1 74 VAL HA 5.500 . 6.000 4.586 3.353 5.161 . 0 0 "[ . 1 . 2]" 1
333 1 69 GLU H 1 70 LYS HA 5.500 . 6.000 5.271 5.142 5.394 . 0 0 "[ . 1 . 2]" 1
334 1 70 LYS HA 1 70 LYS QE 5.690 . 6.190 4.249 4.217 4.287 . 0 0 "[ . 1 . 2]" 1
335 1 70 LYS HA 1 70 LYS HB2 2.990 . 3.490 2.393 2.375 2.410 . 0 0 "[ . 1 . 2]" 1
336 1 69 GLU HA 1 70 LYS HA 4.850 . 5.350 4.791 4.714 4.848 . 0 0 "[ . 1 . 2]" 1
337 1 68 PHE HB3 1 69 GLU HA 5.080 . 5.580 4.413 4.293 4.541 . 0 0 "[ . 1 . 2]" 1
338 1 69 GLU HA 1 74 VAL QG 4.540 . 5.040 2.294 2.130 3.179 . 0 0 "[ . 1 . 2]" 1
339 1 104 ASP HA 1 107 ASP H 4.760 . 5.260 3.267 3.200 3.374 . 0 0 "[ . 1 . 2]" 1
340 1 104 ASP HA 1 105 ALA MB 6.200 . 6.700 5.032 5.020 5.048 . 0 0 "[ . 1 . 2]" 1
341 1 82 ASP QB 1 86 LYS HA 4.890 . 5.390 3.092 2.369 4.130 . 0 0 "[ . 1 . 2]" 1
342 1 100 ARG H 1 101 ASP HA 5.500 . 6.000 5.236 5.025 5.314 . 0 0 "[ . 1 . 2]" 1
343 1 101 ASP HA 1 104 ASP H 4.020 . 4.520 3.675 3.140 4.032 . 0 0 "[ . 1 . 2]" 1
344 1 51 LYS HA 1 93 PHE HA 4.970 . 5.470 4.150 3.522 5.003 . 0 0 "[ . 1 . 2]" 1
345 1 92 ALA MB 1 93 PHE HA 5.800 . 6.300 3.930 3.873 3.993 . 0 0 "[ . 1 . 2]" 1
346 1 113 VAL HA 1 118 GLU HA 3.280 . 3.780 3.114 2.886 3.303 . 0 0 "[ . 1 . 2]" 1
347 1 118 GLU HA 1 118 GLU HG2 2.800 . 3.300 2.401 2.337 2.449 . 0 0 "[ . 1 . 2]" 1
348 1 78 TYR HA 1 79 ILE MG 6.610 . 7.110 5.490 5.440 5.534 . 0 0 "[ . 1 . 2]" 1
349 1 60 SER HA 1 61 PRO QD 3.840 . 4.340 2.223 2.150 2.357 . 0 0 "[ . 1 . 2]" 1
350 1 60 SER HA 1 61 PRO QG 5.440 . 5.920 4.176 4.107 4.323 . 0 0 "[ . 1 . 2]" 1
351 1 117 ARG HA 1 118 GLU HA 4.980 . 5.480 4.451 4.294 4.621 . 0 0 "[ . 1 . 2]" 1
352 1 117 ARG HA 1 117 ARG HG2 4.030 . 4.530 3.836 3.735 3.920 . 0 0 "[ . 1 . 2]" 1
353 1 96 PHE QD 1 102 ALA HA 4.850 . 5.350 3.778 3.558 3.973 . 0 0 "[ . 1 . 2]" 1
354 1 96 PHE QE 1 102 ALA HA 5.670 . 6.170 4.622 4.337 4.890 . 0 0 "[ . 1 . 2]" 1
355 1 102 ALA HA 1 106 MET QB 6.030 . 6.530 5.218 5.088 5.374 . 0 0 "[ . 1 . 2]" 1
356 1 96 PHE HB3 1 102 ALA HA 5.440 . 5.940 3.809 3.619 4.049 . 0 0 "[ . 1 . 2]" 1
357 1 102 ALA HA 1 103 GLU HA 5.500 . 6.000 4.741 4.708 4.766 . 0 0 "[ . 1 . 2]" 1
358 1 105 ALA HA 1 107 ASP H 5.500 . 6.000 4.487 4.427 4.534 . 0 0 "[ . 1 . 2]" 1
359 1 105 ALA HA 1 109 MET QB 5.140 . 5.640 4.265 4.118 4.341 . 0 0 "[ . 1 . 2]" 1
360 1 105 ALA HA 1 108 ALA MB 4.640 . 5.140 3.513 3.341 3.604 . 0 0 "[ . 1 . 2]" 1
361 1 91 PHE HA 1 92 ALA MB 5.420 . 5.920 3.811 3.771 3.893 . 0 0 "[ . 1 . 2]" 1
362 1 54 ASN HB2 1 120 ARG HA 5.190 . 5.690 4.938 4.392 5.219 . 0 0 "[ . 1 . 2]" 1
363 1 120 ARG HA 1 121 VAL QG 5.430 . 5.930 3.359 2.983 3.525 . 0 0 "[ . 1 . 2]" 1
364 1 116 GLY QA 1 117 ARG HA 5.210 . 5.710 4.104 4.072 4.153 . 0 0 "[ . 1 . 2]" 1
365 1 107 ASP HB3 1 108 ALA HA 4.990 . 5.490 4.825 4.801 4.847 . 0 0 "[ . 1 . 2]" 1
366 1 108 ALA HA 1 109 MET QB 6.170 . 6.670 5.427 5.375 5.472 . 0 0 "[ . 1 . 2]" 1
367 1 102 ALA HA 1 105 ALA MB 4.470 . 4.970 2.485 2.400 2.657 . 0 0 "[ . 1 . 2]" 1
368 1 50 LEU QD 1 102 ALA HA 5.110 . 5.610 2.072 1.895 2.844 . 0 0 "[ . 1 . 2]" 1
369 1 71 TYR HA 1 105 ALA HA 5.320 . 5.820 5.281 5.132 5.373 . 0 0 "[ . 1 . 2]" 1
370 1 104 ASP HA 1 105 ALA HA 5.500 . 6.000 4.828 4.797 4.849 . 0 0 "[ . 1 . 2]" 1
371 1 52 VAL HA 1 53 ASP HA 4.750 . 5.250 4.524 4.510 4.541 . 0 0 "[ . 1 . 2]" 1
372 1 53 ASP HA 1 120 ARG HB2 4.970 . 5.470 4.855 4.703 4.999 . 0 0 "[ . 1 . 2]" 1
373 1 122 GLN HA 1 123 MET H 3.270 . 3.770 2.478 2.424 2.537 . 0 0 "[ . 1 . 2]" 1
374 1 122 GLN HA 1 123 MET HA 4.580 . 5.080 4.314 4.286 4.358 . 0 0 "[ . 1 . 2]" 1
375 1 53 ASP HA 1 54 ASN HA 5.040 . 5.540 4.632 4.575 4.691 . 0 0 "[ . 1 . 2]" 1
376 1 98 ASP HA 1 102 ALA H 5.500 . 6.000 5.289 5.217 5.363 . 0 0 "[ . 1 . 2]" 1
377 1 98 ASP HA 1 99 LYS HA 4.600 . 5.100 4.257 4.187 4.283 . 0 0 "[ . 1 . 2]" 1
378 1 98 ASP HA 1 99 LYS QB 5.290 . 5.790 4.255 3.847 4.475 . 0 0 "[ . 1 . 2]" 1
379 1 48 THR MG 1 98 ASP HA 5.380 . 5.880 3.690 2.417 4.479 . 0 0 "[ . 1 . 2]" 1
380 1 121 VAL QG 1 122 GLN HA 5.930 . 6.430 3.291 3.130 3.413 . 0 0 "[ . 1 . 2]" 1
381 1 109 MET HA 1 112 ALA MB 3.650 . 4.150 2.222 1.993 2.426 . 0 0 "[ . 1 . 2]" 1
382 1 98 ASP HA 1 100 ARG H 4.410 . 4.910 4.187 4.040 4.432 . 0 0 "[ . 1 . 2]" 1
383 1 112 ALA HA 1 113 VAL HA 4.570 . 5.070 4.558 4.527 4.578 . 0 0 "[ . 1 . 2]" 1
384 1 61 PRO QD 1 79 ILE MD . . 4.760 2.061 1.926 2.754 . 0 0 "[ . 1 . 2]" 1
385 1 60 SER QB 1 61 PRO QD 5.120 . 5.620 1.914 1.850 1.991 . 0 0 "[ . 1 . 2]" 1
386 1 61 PRO QD 1 62 ASP H . . 5.410 2.672 2.508 2.835 . 0 0 "[ . 1 . 2]" 1
387 1 128 ARG HA 1 129 PRO QD 4.110 . 4.610 2.006 1.871 2.254 . 0 0 "[ . 1 . 2]" 1
388 1 128 ARG QB 1 129 PRO QD 5.240 . 5.740 2.128 1.782 2.787 0.018 18 0 "[ . 1 . 2]" 1
389 1 39 ARG QB 1 40 PRO QD 4.950 . 5.450 2.161 1.949 2.765 . 0 0 "[ . 1 . 2]" 1
390 1 39 ARG HA 1 40 PRO QD 4.000 . 4.500 1.960 1.841 2.040 . 0 0 "[ . 1 . 2]" 1
391 1 55 LEU QD 1 92 ALA HA 5.260 . 5.760 3.601 3.373 3.837 . 0 0 "[ . 1 . 2]" 1
392 1 92 ALA HA 1 93 PHE QB 5.880 . 6.380 3.738 3.603 3.815 . 0 0 "[ . 1 . 2]" 1
393 1 111 GLY HA2 1 118 GLU HB3 5.500 . 6.000 3.806 3.331 4.463 . 0 0 "[ . 1 . 2]" 1
394 1 75 GLY QA 1 97 HIS HE1 6.170 . 6.670 4.690 3.737 5.370 . 0 0 "[ . 1 . 2]" 1
395 1 111 GLY HA3 1 112 ALA MB 6.100 . 6.600 4.747 4.661 4.795 . 0 0 "[ . 1 . 2]" 1
396 1 113 VAL HB 1 116 GLY QA 5.660 . 6.160 5.081 5.048 5.105 . 0 0 "[ . 1 . 2]" 1
397 1 38 GLY QA 1 39 ARG QB 5.520 . 6.020 4.138 4.056 4.417 . 0 0 "[ . 1 . 2]" 1
398 1 38 GLY QA 1 39 ARG H 3.630 . 4.130 2.308 2.227 2.881 . 0 0 "[ . 1 . 2]" 1
399 1 74 VAL QG 1 75 GLY QA 7.080 . 7.540 3.699 3.451 3.883 . 0 0 "[ . 1 . 2]" 1
400 1 53 ASP QB 1 54 ASN HA 5.630 . 6.130 3.912 3.745 4.410 . 0 0 "[ . 1 . 2]" 1
401 1 53 ASP QB 1 120 ARG HB2 5.390 . 5.630 3.938 2.993 4.100 . 0 0 "[ . 1 . 2]" 1
402 1 52 VAL MG1 1 53 ASP QB . . 6.850 4.374 4.194 4.438 . 0 0 "[ . 1 . 2]" 1
403 1 53 ASP QB 1 120 ARG HB3 5.160 . 5.660 4.659 4.071 4.719 . 0 0 "[ . 1 . 2]" 1
404 1 127 GLY QA 1 128 ARG QB 5.470 . 5.970 4.027 3.753 4.262 . 0 0 "[ . 1 . 2]" 1
405 1 53 ASP QB 1 120 ARG H 6.170 . 6.670 5.160 4.421 5.320 . 0 0 "[ . 1 . 2]" 1
406 1 53 ASP QB 1 54 ASN H 5.120 . 5.300 2.114 1.900 3.192 . 0 0 "[ . 1 . 2]" 1
407 1 126 TYR HA 1 127 GLY QA 4.770 . 5.270 4.024 3.944 4.122 . 0 0 "[ . 1 . 2]" 1
408 1 76 ASP QB 1 77 VAL QG 7.520 . 8.020 4.387 3.749 4.587 . 0 0 "[ . 1 . 2]" 1
409 1 50 LEU QB 1 94 VAL QG 8.130 . 8.630 5.268 4.093 5.442 . 0 0 "[ . 1 . 2]" 1
410 1 65 ARG HA 1 65 ARG QD 4.180 . 4.680 2.096 2.009 2.160 . 0 0 "[ . 1 . 2]" 1
411 1 65 ARG QD 1 74 VAL H 5.580 . 6.080 4.534 4.015 5.000 . 0 0 "[ . 1 . 2]" 1
412 1 37 TYR QD 1 65 ARG QD 6.930 . 7.430 5.149 4.766 5.524 . 0 0 "[ . 1 . 2]" 1
413 1 39 ARG QB 1 39 ARG QD 3.290 . 3.790 2.321 2.106 2.759 . 0 0 "[ . 1 . 2]" 1
414 1 81 ARG QD 1 82 ASP H 5.930 . 6.430 4.119 3.234 5.291 . 0 0 "[ . 1 . 2]" 1
415 1 81 ARG QD 1 86 LYS QB 6.930 . 7.430 2.999 2.058 4.406 . 0 0 "[ . 1 . 2]" 1
416 1 81 ARG QD 1 89 ARG QG 6.930 . 7.430 3.465 2.026 4.359 . 0 0 "[ . 1 . 2]" 1
417 1 98 ASP QB 1 99 LYS HA 6.170 . 6.670 4.970 4.644 5.085 . 0 0 "[ . 1 . 2]" 1
418 1 98 ASP QB 1 102 ALA H 5.650 . 6.150 4.163 3.887 4.396 . 0 0 "[ . 1 . 2]" 1
419 1 112 ALA MB 1 119 LEU HB2 6.040 . 6.540 2.455 2.224 2.750 . 0 0 "[ . 1 . 2]" 1
420 1 112 ALA HA 1 119 LEU HB2 5.430 . 5.930 4.514 4.291 4.988 . 0 0 "[ . 1 . 2]" 1
421 1 118 GLU HA 1 119 LEU HB2 5.500 . 6.000 4.453 4.299 4.584 . 0 0 "[ . 1 . 2]" 1
422 1 50 LEU QB 1 96 PHE H . . 5.360 2.367 2.216 2.983 . 0 0 "[ . 1 . 2]" 1
423 1 55 LEU QB 1 56 THR H . . 4.770 2.167 2.025 2.596 . 0 0 "[ . 1 . 2]" 1
424 1 55 LEU QB 1 117 ARG QD 6.170 . 6.670 4.297 3.202 4.721 . 0 0 "[ . 1 . 2]" 1
425 1 55 LEU QB 1 60 SER H 6.170 . 6.670 5.185 4.760 5.579 . 0 0 "[ . 1 . 2]" 1
426 1 110 ASP HA 1 120 ARG QD 5.810 . 6.310 3.779 3.233 5.228 . 0 0 "[ . 1 . 2]" 1
427 1 65 ARG QD 1 77 VAL QG 6.200 . 6.570 2.499 2.055 2.729 . 0 0 "[ . 1 . 2]" 1
428 1 65 ARG QD 1 74 VAL QG . . 6.810 1.860 1.816 1.919 . 0 0 "[ . 1 . 2]" 1
429 1 120 ARG QD 1 121 VAL H 4.410 . 4.910 3.152 2.902 3.609 . 0 0 "[ . 1 . 2]" 1
430 1 111 GLY H 1 120 ARG QD 6.050 . 6.550 3.477 2.605 5.258 . 0 0 "[ . 1 . 2]" 1
431 1 120 ARG HA 1 120 ARG QD 4.050 . 4.550 2.018 1.845 3.487 . 0 0 "[ . 1 . 2]" 1
432 1 120 ARG QD 1 121 VAL QG 7.520 . 8.020 4.572 4.117 5.033 . 0 0 "[ . 1 . 2]" 1
433 1 81 ARG QD 1 86 LYS HA 5.300 . 5.800 3.154 2.278 4.242 . 0 0 "[ . 1 . 2]" 1
434 1 56 THR H 1 117 ARG QD 4.420 . 4.920 3.248 2.829 3.765 . 0 0 "[ . 1 . 2]" 1
435 1 55 LEU QD 1 117 ARG QD 7.700 . 8.200 4.370 4.043 4.852 . 0 0 "[ . 1 . 2]" 1
436 1 55 LEU H 1 117 ARG QD 5.440 . 5.940 4.647 3.755 4.940 . 0 0 "[ . 1 . 2]" 1
437 1 55 LEU HA 1 117 ARG QD 4.920 . 5.420 3.041 1.976 3.836 . 0 0 "[ . 1 . 2]" 1
438 1 56 THR HA 1 117 ARG QD 5.490 . 5.990 2.727 2.062 4.705 . 0 0 "[ . 1 . 2]" 1
439 1 86 LYS HA 1 86 LYS QE 5.410 . 5.910 4.489 3.978 4.938 . 0 0 "[ . 1 . 2]" 1
440 1 61 PRO HA 1 64 LEU HB2 4.110 . 4.610 2.877 2.623 3.440 . 0 0 "[ . 1 . 2]" 1
441 1 64 LEU HB2 1 77 VAL QG 4.380 . 4.880 3.036 2.702 3.280 . 0 0 "[ . 1 . 2]" 1
442 1 64 LEU HB3 1 67 VAL QG 5.730 . 6.230 4.022 3.595 4.304 . 0 0 "[ . 1 . 2]" 1
443 1 64 LEU HB3 1 94 VAL QG 5.920 . 6.420 2.013 1.875 2.332 . 0 0 "[ . 1 . 2]" 1
444 1 99 LYS H 1 99 LYS QE 5.750 . 6.250 4.133 3.293 4.699 . 0 0 "[ . 1 . 2]" 1
445 1 99 LYS QB 1 99 LYS QE 4.110 . 4.610 1.916 1.833 1.975 . 0 0 "[ . 1 . 2]" 1
446 1 70 LYS H 1 70 LYS QE 4.700 . 5.200 3.313 3.250 3.442 . 0 0 "[ . 1 . 2]" 1
447 1 70 LYS QE 1 71 TYR QE 4.850 . 5.350 3.436 3.258 3.605 . 0 0 "[ . 1 . 2]" 1
448 1 67 VAL HA 1 70 LYS QE 4.380 . 4.880 2.459 1.967 2.772 . 0 0 "[ . 1 . 2]" 1
449 1 70 LYS HB2 1 70 LYS QE 4.230 . 4.730 2.881 2.786 2.934 . 0 0 "[ . 1 . 2]" 1
450 1 78 TYR QB 1 93 PHE QB 4.570 . 5.070 2.222 2.073 2.458 . 0 0 "[ . 1 . 2]" 1
451 1 104 ASP HA 1 107 ASP HB3 3.120 . 3.620 2.363 2.286 2.492 . 0 0 "[ . 1 . 2]" 1
452 1 103 GLU HA 1 107 ASP HB3 5.500 . 6.000 5.487 5.439 5.515 . 0 0 "[ . 1 . 2]" 1
453 1 103 GLU QB 1 107 ASP HB3 5.790 . 6.290 4.994 4.885 5.048 . 0 0 "[ . 1 . 2]" 1
454 1 107 ASP HB3 1 108 ALA MB 4.820 . 5.320 3.678 3.650 3.713 . 0 0 "[ . 1 . 2]" 1
455 1 107 ASP HB2 1 108 ALA H 4.400 . 4.900 4.305 4.275 4.327 . 0 0 "[ . 1 . 2]" 1
456 1 107 ASP HA 1 107 ASP HB2 2.840 . 3.340 2.475 2.463 2.489 . 0 0 "[ . 1 . 2]" 1
457 1 62 ASP QB 1 63 THR MG 6.500 . 7.000 4.401 3.624 4.849 . 0 0 "[ . 1 . 2]" 1
458 1 103 GLU QB 1 107 ASP HB2 4.920 . 5.420 4.291 4.174 4.374 . 0 0 "[ . 1 . 2]" 1
459 1 103 GLU QB 1 104 ASP HB2 5.380 . 5.880 4.793 4.739 4.814 . 0 0 "[ . 1 . 2]" 1
460 1 114 LEU QD 1 115 ASP QB . . 6.850 2.580 2.098 3.477 . 0 0 "[ . 1 . 2]" 1
461 1 104 ASP HB2 1 105 ALA MB 5.310 . 5.810 4.053 4.011 4.099 . 0 0 "[ . 1 . 2]" 1
462 1 42 PRO QB 1 43 ASP QB 6.930 . 7.430 4.115 3.783 4.841 . 0 0 "[ . 1 . 2]" 1
463 1 43 ASP QB 1 47 MET ME 7.410 . 7.910 2.967 2.214 4.412 . 0 0 "[ . 1 . 2]" 1
464 1 43 ASP QB 1 44 VAL QG 8.220 . 8.720 4.420 4.054 4.949 . 0 0 "[ . 1 . 2]" 1
465 1 70 LYS QG 1 71 TYR HB2 6.030 . 6.530 4.051 3.995 4.095 . 0 0 "[ . 1 . 2]" 1
466 1 68 PHE HB3 1 105 ALA MB 6.460 . 6.960 4.497 4.196 4.747 . 0 0 "[ . 1 . 2]" 1
467 1 68 PHE HB3 1 94 VAL QG 5.920 . 6.420 3.054 2.496 3.483 . 0 0 "[ . 1 . 2]" 1
468 1 68 PHE HB3 1 74 VAL QG 6.080 . 6.580 2.677 2.061 3.352 . 0 0 "[ . 1 . 2]" 1
469 1 71 TYR HB3 1 105 ALA MB 5.130 . 5.630 2.745 2.569 2.917 . 0 0 "[ . 1 . 2]" 1
470 1 84 TYR QB 1 85 THR H 4.610 . 5.110 3.144 2.946 3.301 . 0 0 "[ . 1 . 2]" 1
471 1 84 TYR QB 1 85 THR MG . . 4.830 2.241 2.134 2.386 . 0 0 "[ . 1 . 2]" 1
472 1 78 TYR HA 1 79 ILE HB 4.860 . 5.360 4.472 4.364 4.590 . 0 0 "[ . 1 . 2]" 1
473 1 78 TYR QD 1 79 ILE HB 5.990 . 6.490 5.127 4.890 5.364 . 0 0 "[ . 1 . 2]" 1
474 1 79 ILE HB 1 80 PRO QD 6.170 . 6.670 4.356 4.326 4.393 . 0 0 "[ . 1 . 2]" 1
475 1 79 ILE HB 1 81 ARG QD 6.170 . 6.670 4.168 3.025 5.308 . 0 0 "[ . 1 . 2]" 1
476 1 54 ASN HB3 1 120 ARG H 4.390 . 4.890 2.985 2.771 3.176 . 0 0 "[ . 1 . 2]" 1
477 1 54 ASN HB3 1 117 ARG QD 5.660 . 6.160 4.552 4.074 5.092 . 0 0 "[ . 1 . 2]" 1
478 1 54 ASN HB2 1 120 ARG H 4.200 . 4.700 3.615 2.965 4.056 . 0 0 "[ . 1 . 2]" 1
479 1 54 ASN HB2 1 118 GLU HB3 5.500 . 6.000 5.569 5.516 5.608 . 0 0 "[ . 1 . 2]" 1
480 1 54 ASN HB2 1 118 GLU HB2 5.500 . 6.000 5.377 5.081 5.529 . 0 0 "[ . 1 . 2]" 1
481 1 54 ASN HB2 1 120 ARG QG 5.390 . 5.890 2.667 2.326 2.966 . 0 0 "[ . 1 . 2]" 1
482 1 53 ASP HA 1 54 ASN HB2 5.230 . 5.730 4.845 4.680 5.220 . 0 0 "[ . 1 . 2]" 1
483 1 56 THR MG 1 57 TYR QB 7.410 . 7.910 5.519 5.487 5.556 . 0 0 "[ . 1 . 2]" 1
484 1 57 TYR QB 1 58 ARG H 5.280 . 5.430 3.977 3.859 4.021 . 0 0 "[ . 1 . 2]" 1
485 1 69 GLU QG 1 70 LYS H 6.020 . 6.520 3.886 3.580 4.356 . 0 0 "[ . 1 . 2]" 1
486 1 69 GLU QG 1 74 VAL QG 5.930 . 6.420 3.142 2.248 3.862 . 0 0 "[ . 1 . 2]" 1
487 1 99 LYS QE 1 103 GLU QG 6.930 . 7.430 4.355 2.537 5.526 . 0 0 "[ . 1 . 2]" 1
488 1 45 GLU H 1 45 GLU QG 3.810 . 4.310 2.206 1.855 2.785 . 0 0 "[ . 1 . 2]" 1
489 1 45 GLU HA 1 45 GLU QG 3.740 . 4.240 2.569 2.369 3.350 . 0 0 "[ . 1 . 2]" 1
490 1 118 GLU HG3 1 119 LEU H 4.910 . 5.410 4.781 4.715 4.924 . 0 0 "[ . 1 . 2]" 1
491 1 118 GLU HA 1 118 GLU HG3 3.510 . 4.010 2.974 2.954 3.026 . 0 0 "[ . 1 . 2]" 1
492 1 113 VAL QG 1 118 GLU HG3 6.030 . 6.530 4.126 3.717 4.233 . 0 0 "[ . 1 . 2]" 1
493 1 118 GLU H 1 118 GLU HG3 4.450 . 4.950 2.982 2.631 3.161 . 0 0 "[ . 1 . 2]" 1
494 1 100 ARG H 1 103 GLU QG 6.070 . 6.570 5.224 5.170 5.361 . 0 0 "[ . 1 . 2]" 1
495 1 118 GLU H 1 118 GLU HG2 4.440 . 4.940 4.022 3.764 4.169 . 0 0 "[ . 1 . 2]" 1
496 1 113 VAL QG 1 118 GLU HG2 4.770 . 5.270 3.512 3.093 3.565 . 0 0 "[ . 1 . 2]" 1
497 1 118 GLU HG2 1 119 LEU H 4.260 . 4.760 3.850 3.717 4.028 . 0 0 "[ . 1 . 2]" 1
498 1 85 THR MG 1 87 GLU QG 5.820 . 6.320 3.968 3.677 4.159 . 0 0 "[ . 1 . 2]" 1
499 1 110 ASP QB 1 121 VAL HB 5.580 . 6.080 3.191 2.174 4.938 . 0 0 "[ . 1 . 2]" 1
500 1 121 VAL QG 1 122 GLN QB 8.320 . 8.820 4.141 3.878 4.312 . 0 0 "[ . 1 . 2]" 1
501 1 52 VAL H 1 52 VAL HB 4.000 . 4.500 2.582 2.514 2.639 . 0 0 "[ . 1 . 2]" 1
502 1 52 VAL HB 1 94 VAL HB 5.080 . 5.580 2.171 1.903 4.275 . 0 0 "[ . 1 . 2]" 1
503 1 64 LEU HB2 1 94 VAL HB 5.500 . 6.000 5.509 4.948 5.595 . 0 0 "[ . 1 . 2]" 1
504 1 68 PHE QD 1 94 VAL HB 6.170 . 6.670 4.569 4.170 5.419 . 0 0 "[ . 1 . 2]" 1
505 1 99 LYS QB 1 100 ARG H . . 4.810 3.361 2.491 3.757 . 0 0 "[ . 1 . 2]" 1
506 1 81 ARG QB 1 88 SER H 5.940 . 6.440 2.713 1.996 4.316 . 0 0 "[ . 1 . 2]" 1
507 1 122 GLN HA 1 123 MET QG 5.760 . 6.260 4.162 3.610 4.855 . 0 0 "[ . 1 . 2]" 1
508 1 105 ALA H 1 106 MET QB 6.010 . 6.510 5.012 4.930 5.083 . 0 0 "[ . 1 . 2]" 1
509 1 120 ARG H 1 120 ARG HB2 3.920 . 4.420 2.628 2.539 2.684 . 0 0 "[ . 1 . 2]" 1
510 1 50 LEU QB 1 123 MET QG 6.630 . 7.130 4.237 2.962 4.938 . 0 0 "[ . 1 . 2]" 1
511 1 67 VAL HB 1 68 PHE QE 6.170 . 6.670 4.368 3.750 5.546 . 0 0 "[ . 1 . 2]" 1
512 1 67 VAL HB 1 68 PHE H 4.070 . 4.570 3.363 2.680 4.150 . 0 0 "[ . 1 . 2]" 1
513 1 64 LEU HA 1 67 VAL HB 4.410 . 4.910 3.012 1.998 4.549 . 0 0 "[ . 1 . 2]" 1
514 1 54 ASN HB2 1 120 ARG HB3 4.570 . 5.070 3.965 3.673 4.311 . 0 0 "[ . 1 . 2]" 1
515 1 70 LYS HB3 1 71 TYR QE 5.590 . 6.090 5.004 4.969 5.043 . 0 0 "[ . 1 . 2]" 1
516 1 70 LYS HB3 1 70 LYS QE 4.770 . 5.270 1.981 1.952 2.000 . 0 0 "[ . 1 . 2]" 1
517 1 42 PRO QB 1 43 ASP H 5.050 . 5.550 3.636 2.359 4.100 . 0 0 "[ . 1 . 2]" 1
518 1 43 ASP H 1 44 VAL HB 5.470 . 5.970 4.944 3.822 5.505 . 0 0 "[ . 1 . 2]" 1
519 1 125 ARG QB 1 126 TYR HA 5.210 . 5.710 4.468 4.034 4.734 . 0 0 "[ . 1 . 2]" 1
520 1 70 LYS HB2 1 71 TYR H 4.400 . 4.900 4.172 4.145 4.227 . 0 0 "[ . 1 . 2]" 1
521 1 70 LYS H 1 70 LYS HB2 3.690 . 4.190 3.580 3.569 3.610 . 0 0 "[ . 1 . 2]" 1
522 1 70 LYS HB2 1 71 TYR QE 6.170 . 6.670 5.281 5.217 5.447 . 0 0 "[ . 1 . 2]" 1
523 1 106 MET HG3 1 121 VAL QG 6.240 . 6.740 4.369 3.979 4.574 . 0 0 "[ . 1 . 2]" 1
524 1 103 GLU HA 1 106 MET HG3 4.200 . 4.700 3.903 3.706 4.134 . 0 0 "[ . 1 . 2]" 1
525 1 106 MET HG3 1 107 ASP HA 4.680 . 5.180 3.321 3.258 3.398 . 0 0 "[ . 1 . 2]" 1
526 1 106 MET HG2 1 122 GLN HA 5.500 . 6.000 5.567 5.532 5.613 . 0 0 "[ . 1 . 2]" 1
527 1 103 GLU HA 1 106 MET HG2 3.340 . 3.840 2.551 2.441 2.758 . 0 0 "[ . 1 . 2]" 1
528 1 106 MET HG2 1 121 VAL QG 7.200 . 7.700 4.010 3.851 4.131 . 0 0 "[ . 1 . 2]" 1
529 1 88 SER HA 1 89 ARG QB 5.480 . 5.980 4.717 4.436 4.972 . 0 0 "[ . 1 . 2]" 1
530 1 81 ARG QD 1 89 ARG QB 6.870 . 7.370 2.717 2.121 4.168 . 0 0 "[ . 1 . 2]" 1
531 1 81 ARG HE 1 89 ARG QB 6.170 . 6.670 4.437 2.302 5.544 . 0 0 "[ . 1 . 2]" 1
532 1 65 ARG H 1 66 ARG QB 5.280 . 5.780 4.450 4.326 4.567 . 0 0 "[ . 1 . 2]" 1
533 1 66 ARG H 1 66 ARG QB 3.460 . 3.960 2.207 2.089 2.256 . 0 0 "[ . 1 . 2]" 1
534 1 96 PHE HA 1 97 HIS QB 5.540 . 6.040 4.240 3.875 4.425 . 0 0 "[ . 1 . 2]" 1
535 1 134 HIS QB 1 135 SER H . . 4.810 2.846 1.946 3.919 . 0 0 "[ . 1 . 2]" 1
536 1 97 HIS QB 1 98 ASP H . . 4.820 3.635 3.208 3.992 . 0 0 "[ . 1 . 2]" 1
537 1 133 HIS QB 1 134 HIS H . . 5.900 3.369 2.264 4.098 . 0 0 "[ . 1 . 2]" 1
538 1 57 TYR H 1 58 ARG HB2 5.500 . 6.000 4.685 4.516 5.075 . 0 0 "[ . 1 . 2]" 1
539 1 99 LYS QE 1 100 ARG QB 6.930 . 7.430 5.283 4.709 5.548 . 0 0 "[ . 1 . 2]" 1
540 1 69 GLU QB 1 70 LYS HB3 6.170 . 6.670 4.293 3.969 4.557 . 0 0 "[ . 1 . 2]" 1
541 1 69 GLU QB 1 74 VAL H 5.780 . 6.280 4.095 3.190 5.162 . 0 0 "[ . 1 . 2]" 1
542 1 65 ARG QD 1 69 GLU QB 6.930 . 7.430 3.424 3.097 3.803 . 0 0 "[ . 1 . 2]" 1
543 1 86 LYS H 1 86 LYS QD 5.340 . 5.840 4.316 2.447 4.858 . 0 0 "[ . 1 . 2]" 1
544 1 67 VAL HA 1 70 LYS QD 5.660 . 6.160 4.434 3.982 4.663 . 0 0 "[ . 1 . 2]" 1
545 1 61 PRO QG 1 79 ILE MD 5.590 . 6.090 2.620 2.231 3.503 . 0 0 "[ . 1 . 2]" 1
546 1 70 LYS H 1 70 LYS QD 5.130 . 5.630 4.142 4.102 4.211 . 0 0 "[ . 1 . 2]" 1
547 1 70 LYS QD 1 71 TYR QE 5.900 . 6.400 2.578 2.477 2.805 . 0 0 "[ . 1 . 2]" 1
548 1 66 ARG QG 1 67 VAL H 4.000 . 4.500 3.547 3.057 3.591 . 0 0 "[ . 1 . 2]" 1
549 1 73 ARG QG 1 97 HIS HD2 . . 5.140 3.601 2.548 4.181 . 0 0 "[ . 1 . 2]" 1
550 1 100 ARG HA 1 100 ARG QG 3.770 . 4.270 3.294 2.430 3.357 . 0 0 "[ . 1 . 2]" 1
551 1 81 ARG QG 1 88 SER H 4.790 . 5.290 3.439 1.953 4.350 . 0 0 "[ . 1 . 2]" 1
552 1 79 ILE MG 1 81 ARG QG 6.030 . 6.530 2.622 2.035 3.876 . 0 0 "[ . 1 . 2]" 1
553 1 55 LEU QD 1 90 GLY QA 8.110 . 8.350 3.413 2.433 4.384 . 0 0 "[ . 1 . 2]" 1
554 1 55 LEU QD 1 92 ALA MB 4.950 . 5.450 1.920 1.822 2.063 . 0 0 "[ . 1 . 2]" 1
555 1 73 ARG QG 1 97 HIS H 5.190 . 5.690 3.164 2.095 4.396 . 0 0 "[ . 1 . 2]" 1
556 1 100 ARG QG 1 102 ALA H 6.070 . 6.570 4.163 4.015 4.995 . 0 0 "[ . 1 . 2]" 1
557 1 116 GLY H 1 117 ARG HG3 4.700 . 5.200 4.369 3.712 4.771 . 0 0 "[ . 1 . 2]" 1
558 1 117 ARG HG3 1 119 LEU H 5.500 . 6.000 5.212 4.338 5.425 . 0 0 "[ . 1 . 2]" 1
559 1 120 ARG QG 1 121 VAL H 6.170 . 6.670 4.350 3.466 4.565 . 0 0 "[ . 1 . 2]" 1
560 1 73 ARG QG 1 74 VAL H 5.110 . 5.610 4.303 4.030 4.434 . 0 0 "[ . 1 . 2]" 1
561 1 73 ARG H 1 73 ARG QG . . 4.070 2.399 1.929 3.186 . 0 0 "[ . 1 . 2]" 1
562 1 119 LEU H 1 120 ARG QG 6.170 . 6.670 4.122 3.699 4.523 . 0 0 "[ . 1 . 2]" 1
563 1 63 THR HB 1 64 LEU HG 3.590 . 4.090 3.371 2.747 3.759 . 0 0 "[ . 1 . 2]" 1
564 1 81 ARG QG 1 87 GLU H . . 5.690 4.139 2.960 4.687 . 0 0 "[ . 1 . 2]" 1
565 1 116 GLY QA 1 117 ARG HG2 5.960 . 6.460 4.686 4.378 4.829 . 0 0 "[ . 1 . 2]" 1
566 1 116 GLY H 1 117 ARG HG2 4.180 . 4.680 3.601 2.932 4.141 . 0 0 "[ . 1 . 2]" 1
567 1 50 LEU QD 1 68 PHE QD 6.790 . 7.290 4.361 4.065 4.509 . 0 0 "[ . 1 . 2]" 1
568 1 50 LEU QD 1 68 PHE QE 6.630 . 7.130 4.275 3.811 4.396 . 0 0 "[ . 1 . 2]" 1
569 1 50 LEU QD 1 96 PHE HB3 6.940 . 7.440 4.096 3.759 4.451 . 0 0 "[ . 1 . 2]" 1
570 1 50 LEU QD 1 106 MET HA 7.410 . 7.910 3.697 3.479 3.864 . 0 0 "[ . 1 . 2]" 1
571 1 50 LEU QD 1 105 ALA MB 4.290 . 4.790 2.061 1.986 2.170 . 0 0 "[ . 1 . 2]" 1
572 1 91 PHE H 1 92 ALA MB 6.110 . 6.610 4.729 4.568 4.850 . 0 0 "[ . 1 . 2]" 1
573 1 79 ILE HA 1 92 ALA MB 5.020 . 5.520 3.612 3.289 4.060 . 0 0 "[ . 1 . 2]" 1
574 1 80 PRO QD 1 92 ALA MB 6.700 . 7.200 4.208 3.816 4.613 . 0 0 "[ . 1 . 2]" 1
575 1 92 ALA MB 1 93 PHE QB 6.360 . 6.860 4.045 3.974 4.134 . 0 0 "[ . 1 . 2]" 1
576 1 64 LEU HB2 1 92 ALA MB 5.260 . 5.760 4.284 4.105 4.447 . 0 0 "[ . 1 . 2]" 1
577 1 64 LEU QD 1 92 ALA MB 4.400 . 4.900 2.117 1.911 2.359 . 0 0 "[ . 1 . 2]" 1
578 1 92 ALA MB 1 94 VAL QG 6.520 . 7.020 2.825 2.433 3.234 . 0 0 "[ . 1 . 2]" 1
579 1 114 LEU QD 1 117 ARG H 7.410 . 7.910 4.762 2.837 5.321 . 0 0 "[ . 1 . 2]" 1
580 1 114 LEU QD 1 117 ARG QD 8.260 . 8.760 4.131 2.306 5.123 . 0 0 "[ . 1 . 2]" 1
581 1 58 ARG H 1 58 ARG QG . . 4.540 2.963 2.651 3.342 . 0 0 "[ . 1 . 2]" 1
582 1 64 LEU QD 1 65 ARG H 6.580 . 7.080 4.159 4.059 4.251 . 0 0 "[ . 1 . 2]" 1
583 1 63 THR H 1 64 LEU QD 7.010 . 7.510 4.580 4.483 4.648 . 0 0 "[ . 1 . 2]" 1
584 1 61 PRO HA 1 64 LEU QD 4.520 . 5.020 2.513 2.181 2.954 . 0 0 "[ . 1 . 2]" 1
585 1 64 LEU QD 1 77 VAL QG 6.160 . 6.660 3.405 3.269 3.428 . 0 0 "[ . 1 . 2]" 1
586 1 64 LEU QD 1 94 VAL QG 6.490 . 6.990 2.296 2.044 2.512 . 0 0 "[ . 1 . 2]" 1
587 1 114 LEU HA 1 119 LEU QD 5.180 . 5.680 3.260 2.845 3.870 . 0 0 "[ . 1 . 2]" 1
588 1 86 LYS H 1 86 LYS QG 4.840 . 5.340 2.530 2.258 3.547 . 0 0 "[ . 1 . 2]" 1
589 1 68 PHE QD 1 121 VAL QG 7.310 . 7.810 4.025 3.749 4.276 . 0 0 "[ . 1 . 2]" 1
590 1 106 MET QB 1 121 VAL QG 4.510 . 5.010 2.036 1.880 2.107 . 0 0 "[ . 1 . 2]" 1
591 1 94 VAL QG 1 121 VAL QG 9.990 . 10.490 4.428 3.601 4.796 . 0 0 "[ . 1 . 2]" 1
592 1 55 LEU QD 1 92 ALA H . . 5.540 3.013 1.994 3.763 . 0 0 "[ . 1 . 2]" 1
593 1 55 LEU QD 1 57 TYR H 6.970 . 7.470 4.718 4.326 5.257 . 0 0 "[ . 1 . 2]" 1
594 1 98 ASP HA 1 99 LYS QG 6.170 . 6.360 3.962 3.502 5.349 . 0 0 "[ . 1 . 2]" 1
595 1 99 LYS QG 1 100 ARG H 5.770 . 6.270 3.072 2.316 4.412 . 0 0 "[ . 1 . 2]" 1
596 1 99 LYS QG 1 103 GLU QG 6.930 . 7.430 4.400 2.241 5.111 . 0 0 "[ . 1 . 2]" 1
597 1 70 LYS H 1 70 LYS QG 4.310 . 4.380 2.164 2.094 2.240 . 0 0 "[ . 1 . 2]" 1
598 1 69 GLU H 1 70 LYS QG 6.050 . 6.550 4.171 4.023 4.406 . 0 0 "[ . 1 . 2]" 1
599 1 114 LEU QD 1 115 ASP HA 5.470 . 5.970 3.759 3.482 4.109 . 0 0 "[ . 1 . 2]" 1
600 1 64 LEU H 1 64 LEU QD 4.930 . 5.430 2.970 2.921 3.053 . 0 0 "[ . 1 . 2]" 1
601 1 63 THR HB 1 64 LEU QD 6.230 . 6.730 3.497 3.161 3.800 . 0 0 "[ . 1 . 2]" 1
602 1 64 LEU HA 1 64 LEU QD 3.960 . 4.460 2.080 2.050 2.128 . 0 0 "[ . 1 . 2]" 1
603 1 64 LEU QD 1 67 VAL HB 6.300 . 6.800 3.772 3.096 4.692 . 0 0 "[ . 1 . 2]" 1
604 1 52 VAL H 1 52 VAL MG1 4.520 . 5.020 3.817 3.784 3.846 . 0 0 "[ . 1 . 2]" 1
605 1 52 VAL MG1 1 68 PHE QD 6.480 . 6.980 3.736 3.532 3.898 . 0 0 "[ . 1 . 2]" 1
606 1 52 VAL MG1 1 120 ARG H 5.760 . 6.260 3.785 3.578 3.954 . 0 0 "[ . 1 . 2]" 1
607 1 56 THR MG 1 59 THR HA 6.610 . 7.110 5.293 4.884 5.541 . 0 0 "[ . 1 . 2]" 1
608 1 56 THR MG 1 117 ARG QD 4.350 . 4.850 2.217 1.814 3.007 . 0 0 "[ . 1 . 2]" 1
609 1 114 LEU HG 1 119 LEU QD 6.110 . 6.610 3.619 3.051 4.174 . 0 0 "[ . 1 . 2]" 1
610 1 117 ARG HG2 1 119 LEU QD 6.580 . 7.080 4.183 3.457 4.450 . 0 0 "[ . 1 . 2]" 1
611 1 65 ARG H 1 74 VAL QG 7.280 . 7.780 4.422 4.173 4.677 . 0 0 "[ . 1 . 2]" 1
612 1 69 GLU H 1 74 VAL QG . . 5.260 3.119 2.805 3.547 . 0 0 "[ . 1 . 2]" 1
613 1 65 ARG HA 1 74 VAL QG 4.830 . 5.140 2.213 2.024 2.554 . 0 0 "[ . 1 . 2]" 1
614 1 74 VAL QG 1 77 VAL QG 4.960 . 5.460 2.743 2.332 2.800 . 0 0 "[ . 1 . 2]" 1
615 1 63 THR MG 1 64 LEU H 5.090 . 5.590 3.976 3.767 4.235 . 0 0 "[ . 1 . 2]" 1
616 1 63 THR HA 1 63 THR MG 3.570 . 4.070 2.178 2.141 2.203 . 0 0 "[ . 1 . 2]" 1
617 1 48 THR MG 1 49 SER H 4.440 . 4.940 2.591 1.804 3.733 . 0 0 "[ . 1 . 2]" 1
618 1 48 THR MG 1 99 LYS QE 6.310 . 6.810 4.535 3.563 4.711 . 0 0 "[ . 1 . 2]" 1
619 1 63 THR HB 1 67 VAL QG 5.030 . 5.530 3.042 2.331 3.694 . 0 0 "[ . 1 . 2]" 1
620 1 66 ARG QD 1 67 VAL QG 6.630 . 7.130 3.956 3.679 4.409 . 0 0 "[ . 1 . 2]" 1
621 1 66 ARG QB 1 67 VAL QG 5.010 . 5.510 3.132 2.801 3.482 . 0 0 "[ . 1 . 2]" 1
622 1 66 ARG QG 1 67 VAL QG 5.760 . 6.260 3.734 3.528 3.864 . 0 0 "[ . 1 . 2]" 1
623 1 109 MET HA 1 121 VAL QG 5.690 . 6.190 4.048 3.971 4.119 . 0 0 "[ . 1 . 2]" 1
624 1 109 MET QB 1 121 VAL QG 4.920 . 5.420 1.893 1.839 1.939 . 0 0 "[ . 1 . 2]" 1
625 1 65 ARG H 1 77 VAL QG 5.430 . 5.930 3.372 2.938 3.631 . 0 0 "[ . 1 . 2]" 1
626 1 65 ARG HA 1 77 VAL QG . . 5.190 3.179 2.530 3.498 . 0 0 "[ . 1 . 2]" 1
627 1 77 VAL QG 1 78 TYR H . . 5.380 2.762 2.334 3.538 . 0 0 "[ . 1 . 2]" 1
628 1 74 VAL QG 1 75 GLY H . . 5.350 3.135 2.479 3.612 . 0 0 "[ . 1 . 2]" 1
629 1 72 GLY H 1 74 VAL QG 7.410 . 7.910 4.752 4.318 5.541 . 0 0 "[ . 1 . 2]" 1
630 1 74 VAL QG 1 76 ASP H . . 4.750 2.997 2.718 3.193 . 0 0 "[ . 1 . 2]" 1
631 1 73 ARG HA 1 74 VAL QG 5.110 . 5.610 3.409 3.288 3.736 . 0 0 "[ . 1 . 2]" 1
632 1 84 TYR H 1 85 THR MG 5.480 . 5.980 3.542 3.338 3.780 . 0 0 "[ . 1 . 2]" 1
633 1 67 VAL QG 1 70 LYS QE 7.200 . 7.700 3.477 2.684 3.860 . 0 0 "[ . 1 . 2]" 1
634 1 113 VAL QG 1 119 LEU H 6.230 . 6.730 4.246 4.007 4.398 . 0 0 "[ . 1 . 2]" 1
635 1 113 VAL QG 1 114 LEU H . . 5.070 2.457 2.202 3.032 . 0 0 "[ . 1 . 2]" 1
636 1 113 VAL QG 1 118 GLU HA 3.900 . 4.400 2.883 2.689 2.933 . 0 0 "[ . 1 . 2]" 1
637 1 67 VAL QG 1 71 TYR QE 6.400 . 6.900 3.578 2.720 4.289 . 0 0 "[ . 1 . 2]" 1
638 1 65 ARG H 1 67 VAL QG 6.340 . 6.840 4.451 3.859 4.782 . 0 0 "[ . 1 . 2]" 1
639 1 76 ASP HA 1 77 VAL QG 5.030 . 5.530 3.206 2.948 3.754 . 0 0 "[ . 1 . 2]" 1
640 1 52 VAL MG2 1 93 PHE HA 6.610 . 7.110 5.119 5.006 5.308 . 0 0 "[ . 1 . 2]" 1
641 1 68 PHE H 1 94 VAL QG 7.390 . 7.890 4.386 4.053 4.772 . 0 0 "[ . 1 . 2]" 1
642 1 76 ASP H 1 94 VAL QG 6.160 . 6.660 3.861 3.419 4.575 . 0 0 "[ . 1 . 2]" 1
643 1 94 VAL QG 1 96 PHE QE 5.400 . 5.900 2.992 2.015 3.338 . 0 0 "[ . 1 . 2]" 1
644 1 65 ARG HA 1 94 VAL QG 6.300 . 6.800 3.520 3.306 3.986 . 0 0 "[ . 1 . 2]" 1
645 1 74 VAL HA 1 94 VAL QG 6.480 . 6.980 3.476 3.037 3.890 . 0 0 "[ . 1 . 2]" 1
646 1 77 VAL HA 1 94 VAL QG 5.460 . 5.960 2.700 2.086 3.294 . 0 0 "[ . 1 . 2]" 1
647 1 84 TYR QD 1 85 THR MG 5.280 . 5.780 3.638 3.580 3.755 . 0 0 "[ . 1 . 2]" 1
648 1 52 VAL H 1 52 VAL MG2 3.930 . 4.430 2.954 2.880 3.049 . 0 0 "[ . 1 . 2]" 1
649 1 52 VAL MG2 1 68 PHE QD 6.360 . 6.860 3.141 2.925 3.372 . 0 0 "[ . 1 . 2]" 1
650 1 52 VAL MG2 1 68 PHE QE 4.490 . 4.990 2.563 2.323 2.851 . 0 0 "[ . 1 . 2]" 1
651 1 52 VAL MG2 1 68 PHE HZ 4.500 . 5.000 3.433 3.152 3.754 . 0 0 "[ . 1 . 2]" 1
652 1 52 VAL MG2 1 121 VAL HA 4.880 . 5.380 3.102 2.813 3.174 . 0 0 "[ . 1 . 2]" 1
653 1 52 VAL MG2 1 121 VAL QG 4.840 . 5.340 1.849 1.731 2.043 0.069 6 0 "[ . 1 . 2]" 1
654 1 113 VAL QG 1 115 ASP QB 8.320 . 8.820 4.480 4.254 4.836 . 0 0 "[ . 1 . 2]" 1
655 1 113 VAL QG 1 117 ARG QD 8.320 . 8.820 5.192 4.713 5.483 . 0 0 "[ . 1 . 2]" 1
656 1 113 VAL QG 1 118 GLU H . . 6.820 4.406 4.245 4.491 . 0 0 "[ . 1 . 2]" 1
657 1 42 PRO HA 1 44 VAL QG 5.510 . 6.010 3.876 3.372 4.140 . 0 0 "[ . 1 . 2]" 1
658 1 64 LEU H 1 94 VAL QG 7.410 . 7.910 4.642 4.525 4.793 . 0 0 "[ . 1 . 2]" 1
659 1 94 VAL QG 1 96 PHE HZ . . 6.160 3.990 3.438 4.221 . 0 0 "[ . 1 . 2]" 1
660 1 93 PHE QB 1 94 VAL QG 7.790 . 8.290 4.682 4.592 4.794 . 0 0 "[ . 1 . 2]" 1
661 1 77 VAL QG 1 94 VAL QG 5.470 . 5.970 2.169 1.989 2.472 . 0 0 "[ . 1 . 2]" 1
662 1 93 PHE HA 1 94 VAL QG 5.930 . 6.430 4.139 3.895 4.403 . 0 0 "[ . 1 . 2]" 1
663 1 61 PRO HA 1 94 VAL QG 7.410 . 7.910 4.281 4.027 4.846 . 0 0 "[ . 1 . 2]" 1
664 1 112 ALA MB 1 119 LEU H 5.920 . 6.420 4.222 3.934 4.417 . 0 0 "[ . 1 . 2]" 1
665 1 104 ASP HA 1 108 ALA MB 5.500 . 6.000 4.317 4.187 4.406 . 0 0 "[ . 1 . 2]" 1
666 1 106 MET HA 1 108 ALA MB 6.330 . 6.830 5.131 5.070 5.173 . 0 0 "[ . 1 . 2]" 1
667 1 108 ALA MB 1 109 MET QB 6.040 . 6.540 4.377 4.291 4.455 . 0 0 "[ . 1 . 2]" 1
668 1 44 VAL QG 1 45 GLU HA 5.220 . 5.720 3.554 3.228 3.909 . 0 0 "[ . 1 . 2]" 1
669 1 43 ASP H 1 44 VAL QG 5.780 . 6.280 3.194 2.727 4.044 . 0 0 "[ . 1 . 2]" 1
670 1 68 PHE QD 1 105 ALA MB 4.330 . 4.830 2.868 2.637 3.047 . 0 0 "[ . 1 . 2]" 1
671 1 96 PHE HZ 1 105 ALA MB 4.220 . 4.720 2.993 2.763 3.277 . 0 0 "[ . 1 . 2]" 1
672 1 68 PHE QE 1 105 ALA MB 4.340 . 4.840 3.142 2.865 3.239 . 0 0 "[ . 1 . 2]" 1
673 1 71 TYR HA 1 105 ALA MB 6.400 . 6.900 4.975 4.806 5.126 . 0 0 "[ . 1 . 2]" 1
674 1 71 TYR HB2 1 105 ALA MB 4.670 . 5.170 3.177 3.076 3.289 . 0 0 "[ . 1 . 2]" 1
675 1 93 PHE QE 1 124 ALA MB 5.470 . 5.970 3.079 2.447 3.768 . 0 0 "[ . 1 . 2]" 1
676 1 50 LEU QD 1 102 ALA MB 5.470 . 5.970 2.191 1.957 2.924 . 0 0 "[ . 1 . 2]" 1
677 1 47 MET ME 1 48 THR H 5.910 . 6.410 4.771 4.205 4.961 . 0 0 "[ . 1 . 2]" 1
678 1 43 ASP H 1 47 MET ME 6.610 . 7.110 3.919 3.224 5.071 . 0 0 "[ . 1 . 2]" 1
679 1 47 MET ME 1 97 HIS HE1 4.770 . 5.270 3.723 2.814 3.988 . 0 0 "[ . 1 . 2]" 1
680 1 96 PHE HB2 1 102 ALA MB 4.430 . 4.930 2.501 2.396 2.725 . 0 0 "[ . 1 . 2]" 1
681 1 49 SER H 1 102 ALA MB 6.050 . 6.550 4.763 4.391 5.110 . 0 0 "[ . 1 . 2]" 1
682 1 99 LYS H 1 102 ALA MB 6.210 . 6.710 4.315 4.164 4.523 . 0 0 "[ . 1 . 2]" 1
683 1 96 PHE QD 1 102 ALA MB 5.620 . 6.120 3.896 3.685 4.184 . 0 0 "[ . 1 . 2]" 1
684 1 99 LYS HA 1 102 ALA MB 4.110 . 4.610 2.214 1.966 2.710 . 0 0 "[ . 1 . 2]" 1
685 1 102 ALA MB 1 123 MET ME 4.990 . 5.490 2.361 2.094 2.665 . 0 0 "[ . 1 . 2]" 1
686 1 106 MET H 1 106 MET ME 5.190 . 5.690 4.114 4.085 4.153 . 0 0 "[ . 1 . 2]" 1
687 1 103 GLU H 1 106 MET ME 5.440 . 5.940 4.491 4.453 4.531 . 0 0 "[ . 1 . 2]" 1
688 1 106 MET ME 1 107 ASP HA 5.620 . 6.120 4.417 4.364 4.487 . 0 0 "[ . 1 . 2]" 1
689 1 106 MET ME 1 107 ASP HB2 4.550 . 5.050 3.613 3.540 3.687 . 0 0 "[ . 1 . 2]" 1
690 1 103 GLU QB 1 106 MET ME 3.680 . 4.180 2.745 2.725 2.757 . 0 0 "[ . 1 . 2]" 1
691 1 102 ALA MB 1 106 MET ME 6.940 . 7.440 4.726 4.629 4.801 . 0 0 "[ . 1 . 2]" 1
692 1 123 MET H 1 123 MET ME 4.860 . 5.360 3.723 3.555 3.910 . 0 0 "[ . 1 . 2]" 1
693 1 106 MET H 1 123 MET ME 5.900 . 6.400 4.971 4.938 5.000 . 0 0 "[ . 1 . 2]" 1
694 1 50 LEU HA 1 123 MET ME 5.460 . 5.960 4.095 3.634 4.363 . 0 0 "[ . 1 . 2]" 1
695 1 123 MET HA 1 123 MET ME 4.620 . 5.120 3.861 3.812 3.894 . 0 0 "[ . 1 . 2]" 1
696 1 50 LEU QB 1 123 MET ME 4.450 . 4.950 3.192 2.458 3.320 . 0 0 "[ . 1 . 2]" 1
697 1 50 LEU QD 1 123 MET ME 4.760 . 5.260 2.082 1.949 2.357 . 0 0 "[ . 1 . 2]" 1
698 1 79 ILE MG 1 91 PHE QE 7.410 . 7.910 4.426 4.070 4.892 . 0 0 "[ . 1 . 2]" 1
699 1 79 ILE MG 1 81 ARG HA 4.440 . 4.940 3.616 3.304 3.777 . 0 0 "[ . 1 . 2]" 1
700 1 79 ILE MG 1 80 PRO HA 5.420 . 5.920 4.414 4.287 4.522 . 0 0 "[ . 1 . 2]" 1
701 1 79 ILE MG 1 80 PRO QD 5.000 . 5.500 3.131 2.863 3.276 . 0 0 "[ . 1 . 2]" 1
702 1 69 GLU H 1 109 MET ME 6.610 . 7.110 5.584 5.537 5.636 . 0 0 "[ . 1 . 2]" 1
703 1 68 PHE QD 1 109 MET ME 5.120 . 5.620 3.112 2.941 3.203 . 0 0 "[ . 1 . 2]" 1
704 1 67 VAL QG 1 109 MET ME 4.270 . 4.770 2.175 1.895 2.653 . 0 0 "[ . 1 . 2]" 1
705 1 68 PHE QE 1 109 MET ME 4.600 . 5.100 2.770 2.637 2.926 . 0 0 "[ . 1 . 2]" 1
706 1 68 PHE HZ 1 109 MET ME 4.620 . 5.120 2.972 2.743 3.313 . 0 0 "[ . 1 . 2]" 1
707 1 67 VAL HA 1 109 MET ME 6.120 . 6.620 4.353 4.175 4.566 . 0 0 "[ . 1 . 2]" 1
708 1 71 TYR HB3 1 109 MET ME 6.610 . 7.110 5.547 5.520 5.591 . 0 0 "[ . 1 . 2]" 1
709 1 79 ILE MD 1 91 PHE H 6.610 . 7.110 4.865 4.472 5.179 . 0 0 "[ . 1 . 2]" 1
710 1 62 ASP H 1 79 ILE MD 6.060 . 6.560 4.812 4.579 4.990 . 0 0 "[ . 1 . 2]" 1
711 1 60 SER HA 1 79 ILE MD 4.490 . 4.990 3.356 2.930 3.736 . 0 0 "[ . 1 . 2]" 1
712 1 79 ILE MD 1 81 ARG QD 7.410 . 7.910 4.041 3.255 4.792 . 0 0 "[ . 1 . 2]" 1
713 1 79 ILE MD 1 92 ALA MB 4.600 . 5.100 2.801 2.600 3.042 . 0 0 "[ . 1 . 2]" 1
714 1 78 TYR HA 1 79 ILE MD 6.360 . 6.860 5.105 4.946 5.271 . 0 0 "[ . 1 . 2]" 1
715 1 54 ASN HB3 1 120 ARG HB2 4.370 . 4.870 3.189 2.810 3.943 . 0 0 "[ . 1 . 2]" 1
716 1 49 SER HA 1 95 ARG HA 5.500 . 6.000 4.777 3.940 5.612 . 0 0 "[ . 1 . 2]" 1
717 1 72 GLY QA 1 101 ASP QB 5.590 . 6.090 2.389 2.144 2.779 . 0 0 "[ . 1 . 2]" 1
718 1 51 LYS HB2 1 93 PHE HA 3.950 . 4.450 3.879 3.393 4.193 . 0 0 "[ . 1 . 2]" 1
719 1 124 ALA MB 1 125 ARG H 6.610 . 7.110 2.122 1.952 2.240 . 0 0 "[ . 1 . 2]" 1
720 1 74 VAL H 1 96 PHE QD 5.500 . 6.000 4.850 4.331 4.997 . 0 0 "[ . 1 . 2]" 1
721 1 69 GLU HA 1 74 VAL H 4.310 . 4.810 2.928 2.224 3.437 . 0 0 "[ . 1 . 2]" 1
722 1 73 ARG HA 1 74 VAL H 2.860 . 3.360 2.183 2.093 2.278 . 0 0 "[ . 1 . 2]" 1
723 1 68 PHE HB3 1 74 VAL H 5.500 . 6.000 5.245 4.844 5.520 . 0 0 "[ . 1 . 2]" 1
724 1 69 GLU QG 1 74 VAL H 4.960 . 5.460 3.719 2.655 4.388 . 0 0 "[ . 1 . 2]" 1
725 1 74 VAL H 1 74 VAL HB 3.620 . 4.120 3.169 2.307 3.656 . 0 0 "[ . 1 . 2]" 1
726 1 74 VAL H 1 94 VAL QG 7.410 . 7.910 5.165 4.765 5.553 . 0 0 "[ . 1 . 2]" 1
727 1 73 ARG H 1 74 VAL H 4.370 . 4.870 4.050 3.482 4.503 . 0 0 "[ . 1 . 2]" 1
728 1 72 GLY QA 1 74 VAL H 6.170 . 6.670 5.132 4.428 5.583 . 0 0 "[ . 1 . 2]" 1
729 1 52 VAL H 1 93 PHE QD 5.710 . 6.210 3.327 2.826 3.612 . 0 0 "[ . 1 . 2]" 1
730 1 52 VAL H 1 93 PHE HA 4.160 . 4.660 2.779 2.531 3.168 . 0 0 "[ . 1 . 2]" 1
731 1 52 VAL H 1 121 VAL HA 4.900 . 5.400 4.695 4.565 4.873 . 0 0 "[ . 1 . 2]" 1
732 1 52 VAL H 1 94 VAL QG 6.110 . 6.610 3.877 2.620 4.370 . 0 0 "[ . 1 . 2]" 1
733 1 72 GLY H 1 74 VAL H 5.500 . 6.000 4.930 4.456 5.311 . 0 0 "[ . 1 . 2]" 1
734 1 74 VAL H 1 76 ASP H 5.500 . 6.000 5.435 5.283 5.567 . 0 0 "[ . 1 . 2]" 1
735 1 52 VAL H 1 93 PHE QB 6.170 . 6.670 4.786 4.533 5.093 . 0 0 "[ . 1 . 2]" 1
736 1 51 LYS HB2 1 52 VAL H 4.570 . 5.070 3.157 2.239 3.880 . 0 0 "[ . 1 . 2]" 1
737 1 78 TYR QB 1 79 ILE H 5.320 . 5.820 3.250 3.139 3.405 . 0 0 "[ . 1 . 2]" 1
738 1 69 GLU QB 1 72 GLY H 6.170 . 6.670 5.043 4.849 5.187 . 0 0 "[ . 1 . 2]" 1
739 1 79 ILE H 1 79 ILE MD 5.560 . 6.060 4.428 4.341 4.496 . 0 0 "[ . 1 . 2]" 1
740 1 78 TYR QD 1 79 ILE H 4.610 . 5.110 2.932 2.788 3.143 . 0 0 "[ . 1 . 2]" 1
741 1 72 GLY H 1 73 ARG H 4.210 . 4.710 3.741 3.024 4.359 . 0 0 "[ . 1 . 2]" 1
742 1 71 TYR H 1 72 GLY H 3.090 . 3.590 2.454 2.362 2.551 . 0 0 "[ . 1 . 2]" 1
743 1 71 TYR QD 1 72 GLY H 4.840 . 5.340 4.261 4.159 4.332 . 0 0 "[ . 1 . 2]" 1
744 1 72 GLY H 1 96 PHE QE 4.650 . 5.150 3.504 2.889 3.862 . 0 0 "[ . 1 . 2]" 1
745 1 69 GLU HA 1 72 GLY H 3.640 . 4.140 3.553 3.231 3.692 . 0 0 "[ . 1 . 2]" 1
746 1 71 TYR HA 1 72 GLY H 3.560 . 4.060 3.455 3.398 3.498 . 0 0 "[ . 1 . 2]" 1
747 1 71 TYR HB2 1 72 GLY H 3.910 . 4.410 3.280 3.157 3.431 . 0 0 "[ . 1 . 2]" 1
748 1 71 TYR HB3 1 72 GLY H 4.360 . 4.860 4.126 4.050 4.207 . 0 0 "[ . 1 . 2]" 1
749 1 70 LYS HB3 1 72 GLY H 5.500 . 6.000 5.528 5.420 5.576 . 0 0 "[ . 1 . 2]" 1
750 1 70 LYS QG 1 72 GLY H 5.580 . 6.060 4.455 4.387 4.488 . 0 0 "[ . 1 . 2]" 1
751 1 115 ASP H 1 117 ARG H 4.590 . 5.090 3.139 2.558 4.624 . 0 0 "[ . 1 . 2]" 1
752 1 115 ASP H 1 116 GLY QA 5.210 . 5.710 4.081 3.798 4.677 . 0 0 "[ . 1 . 2]" 1
753 1 78 TYR QE 1 79 ILE H 5.220 . 5.720 3.752 3.496 4.073 . 0 0 "[ . 1 . 2]" 1
754 1 114 LEU H 1 115 ASP H 4.890 . 5.390 2.680 1.839 4.213 . 0 0 "[ . 1 . 2]" 1
755 1 114 LEU QB 1 115 ASP H 4.910 . 5.410 2.776 2.172 3.889 . 0 0 "[ . 1 . 2]" 1
756 1 114 LEU HG 1 115 ASP H 4.460 . 4.960 3.832 2.609 4.546 . 0 0 "[ . 1 . 2]" 1
757 1 115 ASP H 1 117 ARG HG2 5.030 . 5.530 3.737 2.900 5.171 . 0 0 "[ . 1 . 2]" 1
758 1 114 LEU QD 1 115 ASP H 4.490 . 4.990 2.798 1.877 3.443 . 0 0 "[ . 1 . 2]" 1
759 1 113 VAL QG 1 115 ASP H 5.280 . 5.780 3.030 2.358 3.956 . 0 0 "[ . 1 . 2]" 1
760 1 113 VAL H 1 114 LEU H 4.620 . 5.120 4.344 4.116 4.416 . 0 0 "[ . 1 . 2]" 1
761 1 114 LEU H 1 119 LEU HB2 5.500 . 6.000 5.496 5.168 5.587 . 0 0 "[ . 1 . 2]" 1
762 1 114 LEU H 1 117 ARG H 3.860 . 4.360 3.384 2.770 3.895 . 0 0 "[ . 1 . 2]" 1
763 1 113 VAL HA 1 114 LEU H 3.220 . 3.720 2.213 2.100 2.304 . 0 0 "[ . 1 . 2]" 1
764 1 114 LEU H 1 119 LEU HG 4.390 . 4.890 3.484 2.933 4.491 . 0 0 "[ . 1 . 2]" 1
765 1 114 LEU H 1 114 LEU QB 3.650 . 4.150 2.458 2.173 3.040 . 0 0 "[ . 1 . 2]" 1
766 1 114 LEU H 1 117 ARG HG3 4.540 . 5.040 3.550 2.895 4.141 . 0 0 "[ . 1 . 2]" 1
767 1 114 LEU H 1 114 LEU HG 4.790 . 5.290 4.373 3.553 4.713 . 0 0 "[ . 1 . 2]" 1
768 1 114 LEU H 1 117 ARG HG2 5.250 . 5.750 3.812 1.819 4.324 . 0 0 "[ . 1 . 2]" 1
769 1 114 LEU H 1 119 LEU QD 4.880 . 5.380 2.973 2.020 3.382 . 0 0 "[ . 1 . 2]" 1
770 1 118 GLU H 1 119 LEU H 4.710 . 5.210 4.517 4.468 4.601 . 0 0 "[ . 1 . 2]" 1
771 1 54 ASN QD 1 119 LEU H 6.040 . 6.540 4.031 3.827 4.297 . 0 0 "[ . 1 . 2]" 1
772 1 119 LEU H 1 120 ARG H 4.620 . 5.120 4.445 4.405 4.481 . 0 0 "[ . 1 . 2]" 1
773 1 113 VAL HA 1 119 LEU H 4.190 . 4.690 4.165 3.883 4.232 . 0 0 "[ . 1 . 2]" 1
774 1 118 GLU HA 1 119 LEU H 3.030 . 3.530 2.403 2.312 2.495 . 0 0 "[ . 1 . 2]" 1
775 1 111 GLY HA2 1 119 LEU H 4.860 . 5.360 3.426 3.224 3.754 . 0 0 "[ . 1 . 2]" 1
776 1 119 LEU H 1 119 LEU HB2 3.820 . 4.320 2.629 2.500 2.700 . 0 0 "[ . 1 . 2]" 1
777 1 118 GLU HB2 1 119 LEU H 4.270 . 4.770 3.732 3.645 3.900 . 0 0 "[ . 1 . 2]" 1
778 1 119 LEU H 1 119 LEU HG 4.600 . 5.100 3.334 3.014 4.436 . 0 0 "[ . 1 . 2]" 1
779 1 118 GLU HB3 1 119 LEU H 3.650 . 4.150 2.439 2.335 2.666 . 0 0 "[ . 1 . 2]" 1
780 1 119 LEU H 1 119 LEU HB3 3.890 . 4.390 3.774 3.648 3.823 . 0 0 "[ . 1 . 2]" 1
781 1 99 LYS H 1 100 ARG H 3.500 . 4.000 2.809 2.723 2.877 . 0 0 "[ . 1 . 2]" 1
782 1 98 ASP HA 1 99 LYS H 2.820 . 3.320 2.183 2.112 2.220 . 0 0 "[ . 1 . 2]" 1
783 1 98 ASP QB 1 99 LYS H . . 4.650 3.579 2.833 3.764 . 0 0 "[ . 1 . 2]" 1
784 1 99 LYS H 1 99 LYS QD 5.200 . 5.700 3.880 3.545 4.533 . 0 0 "[ . 1 . 2]" 1
785 1 99 LYS H 1 100 ARG QG 5.500 . 6.000 4.553 3.974 4.884 . 0 0 "[ . 1 . 2]" 1
786 1 99 LYS H 1 99 LYS QG 4.870 . 5.300 2.215 1.999 3.806 . 0 0 "[ . 1 . 2]" 1
787 1 48 THR MG 1 99 LYS H 5.440 . 5.940 3.469 2.683 3.911 . 0 0 "[ . 1 . 2]" 1
788 1 50 LEU HA 1 124 ALA H 3.660 . 4.160 3.268 2.798 3.677 . 0 0 "[ . 1 . 2]" 1
789 1 123 MET HA 1 124 ALA H 3.080 . 3.580 2.289 2.231 2.422 . 0 0 "[ . 1 . 2]" 1
790 1 51 LYS H 1 124 ALA H 3.890 . 4.390 3.595 3.236 3.917 . 0 0 "[ . 1 . 2]" 1
791 1 123 MET H 1 124 ALA H 4.660 . 5.160 4.673 4.662 4.685 . 0 0 "[ . 1 . 2]" 1
792 1 51 LYS HB3 1 124 ALA H 4.820 . 5.320 4.478 3.945 4.874 . 0 0 "[ . 1 . 2]" 1
793 1 123 MET QG 1 124 ALA H 5.580 . 6.080 4.165 3.664 4.602 . 0 0 "[ . 1 . 2]" 1
794 1 77 VAL HA 1 78 TYR H 3.350 . 3.850 2.221 2.137 2.937 . 0 0 "[ . 1 . 2]" 1
795 1 78 TYR H 1 94 VAL HA 4.230 . 4.730 2.963 2.595 3.371 . 0 0 "[ . 1 . 2]" 1
796 1 77 VAL HB 1 78 TYR H 4.540 . 5.040 4.194 4.023 4.571 . 0 0 "[ . 1 . 2]" 1
797 1 78 TYR H 1 94 VAL QG 6.200 . 6.700 3.511 3.127 4.052 . 0 0 "[ . 1 . 2]" 1
798 1 83 ARG H 1 84 TYR QD 5.580 . 6.080 3.841 3.082 5.106 . 0 0 "[ . 1 . 2]" 1
799 1 82 ASP HA 1 83 ARG H 3.050 . 3.550 2.294 2.085 3.136 . 0 0 "[ . 1 . 2]" 1
800 1 82 ASP QB 1 83 ARG H 4.800 . 5.300 3.268 2.206 3.803 . 0 0 "[ . 1 . 2]" 1
801 1 78 TYR H 1 94 VAL H 5.350 . 5.850 4.228 4.024 5.007 . 0 0 "[ . 1 . 2]" 1
802 1 111 GLY H 1 121 VAL H 5.500 . 6.000 4.492 4.045 5.362 . 0 0 "[ . 1 . 2]" 1
803 1 120 ARG HA 1 121 VAL H 3.050 . 3.550 2.153 2.110 2.222 . 0 0 "[ . 1 . 2]" 1
804 1 110 ASP HA 1 121 VAL H 3.750 . 4.250 2.997 2.672 3.519 . 0 0 "[ . 1 . 2]" 1
805 1 110 ASP QB 1 121 VAL H 4.800 . 5.300 3.183 2.914 3.604 . 0 0 "[ . 1 . 2]" 1
806 1 121 VAL H 1 121 VAL HB 3.760 . 4.260 3.128 2.858 3.611 . 0 0 "[ . 1 . 2]" 1
807 1 78 TYR H 1 93 PHE QD 5.830 . 6.330 4.671 4.354 4.799 . 0 0 "[ . 1 . 2]" 1
808 1 83 ARG H 1 85 THR H 4.850 . 5.350 4.151 3.117 4.556 . 0 0 "[ . 1 . 2]" 1
809 1 83 ARG H 1 86 LYS H 4.910 . 5.410 4.608 3.740 4.926 . 0 0 "[ . 1 . 2]" 1
810 1 83 ARG H 1 83 ARG QG 4.680 . 5.180 3.296 2.155 4.189 . 0 0 "[ . 1 . 2]" 1
811 1 115 ASP QB 1 116 GLY H 5.030 . 5.160 3.427 3.150 3.814 . 0 0 "[ . 1 . 2]" 1
812 1 114 LEU H 1 116 GLY H 4.440 . 4.940 3.018 2.702 3.504 . 0 0 "[ . 1 . 2]" 1
813 1 78 TYR H 1 79 ILE H 4.440 . 4.940 4.425 4.375 4.564 . 0 0 "[ . 1 . 2]" 1
814 1 115 ASP H 1 116 GLY H 3.510 . 4.010 2.033 1.693 3.049 0.107 13 0 "[ . 1 . 2]" 1
815 1 113 VAL HA 1 116 GLY H 4.470 . 4.970 4.294 3.947 4.579 . 0 0 "[ . 1 . 2]" 1
816 1 115 ASP HA 1 116 GLY H 3.470 . 3.970 3.366 3.241 3.492 . 0 0 "[ . 1 . 2]" 1
817 1 113 VAL HB 1 116 GLY H 5.140 . 5.640 4.913 4.485 5.152 . 0 0 "[ . 1 . 2]" 1
818 1 116 GLY H 1 117 ARG QB 6.170 . 6.670 4.483 4.011 4.839 . 0 0 "[ . 1 . 2]" 1
819 1 114 LEU QD 1 116 GLY H 6.440 . 6.940 4.306 2.871 4.815 . 0 0 "[ . 1 . 2]" 1
820 1 113 VAL QG 1 116 GLY H . . 4.500 2.203 1.936 2.438 . 0 0 "[ . 1 . 2]" 1
821 1 78 TYR H 1 93 PHE QB 4.700 . 5.200 3.334 2.914 3.639 . 0 0 "[ . 1 . 2]" 1
822 1 53 ASP H 1 120 ARG HB3 4.330 . 4.830 3.964 3.753 4.330 . 0 0 "[ . 1 . 2]" 1
823 1 52 VAL MG1 1 53 ASP H 4.200 . 4.700 2.542 2.376 2.650 . 0 0 "[ . 1 . 2]" 1
824 1 53 ASP H 1 120 ARG H 4.080 . 4.580 3.200 3.013 3.401 . 0 0 "[ . 1 . 2]" 1
825 1 53 ASP H 1 121 VAL HA 4.110 . 4.610 3.580 3.433 3.706 . 0 0 "[ . 1 . 2]" 1
826 1 52 VAL HB 1 53 ASP H 4.510 . 5.010 4.109 4.007 4.214 . 0 0 "[ . 1 . 2]" 1
827 1 53 ASP H 1 120 ARG HB2 5.170 . 5.670 3.279 3.087 3.497 . 0 0 "[ . 1 . 2]" 1
828 1 52 VAL MG2 1 53 ASP H 5.080 . 5.580 4.023 3.934 4.064 . 0 0 "[ . 1 . 2]" 1
829 1 94 VAL QG 1 95 ARG H . . 5.720 2.234 1.861 3.078 . 0 0 "[ . 1 . 2]" 1
830 1 74 VAL QG 1 95 ARG H 6.280 . 6.780 3.667 2.964 4.332 . 0 0 "[ . 1 . 2]" 1
831 1 52 VAL HB 1 95 ARG H 5.500 . 6.000 5.312 4.988 5.555 . 0 0 "[ . 1 . 2]" 1
832 1 77 VAL HB 1 95 ARG H 5.500 . 6.000 4.272 3.577 5.575 . 0 0 "[ . 1 . 2]" 1
833 1 76 ASP H 1 95 ARG H 4.510 . 5.010 3.015 2.698 3.407 . 0 0 "[ . 1 . 2]" 1
834 1 77 VAL HA 1 95 ARG H 4.190 . 4.690 3.361 2.912 3.776 . 0 0 "[ . 1 . 2]" 1
835 1 51 LYS H 1 93 PHE QE 5.430 . 5.930 4.387 3.769 4.962 . 0 0 "[ . 1 . 2]" 1
836 1 50 LEU HA 1 51 LYS H 3.310 . 3.810 2.280 2.149 2.403 . 0 0 "[ . 1 . 2]" 1
837 1 51 LYS H 1 123 MET HA 4.280 . 4.780 3.153 2.805 3.383 . 0 0 "[ . 1 . 2]" 1
838 1 50 LEU QB 1 51 LYS H 5.470 . 5.970 3.908 3.555 4.097 . 0 0 "[ . 1 . 2]" 1
839 1 51 LYS H 1 51 LYS QG 4.750 . 5.250 3.320 2.327 3.922 . 0 0 "[ . 1 . 2]" 1
840 1 50 LEU QD 1 51 LYS H 5.590 . 6.090 3.151 2.369 3.763 . 0 0 "[ . 1 . 2]" 1
841 1 60 SER H 1 64 LEU H 4.610 . 5.110 3.939 3.616 4.129 . 0 0 "[ . 1 . 2]" 1
842 1 59 THR H 1 60 SER H 4.710 . 5.210 4.657 4.519 4.709 . 0 0 "[ . 1 . 2]" 1
843 1 60 SER H 1 63 THR HB 4.180 . 4.680 3.420 2.639 4.205 . 0 0 "[ . 1 . 2]" 1
844 1 60 SER H 1 63 THR MG 4.800 . 5.300 3.688 3.447 3.955 . 0 0 "[ . 1 . 2]" 1
845 1 59 THR MG 1 60 SER H 3.720 . 4.220 1.940 1.777 2.001 0.023 16 0 "[ . 1 . 2]" 1
846 1 55 LEU QD 1 60 SER H 7.410 . 7.910 4.080 2.944 4.847 . 0 0 "[ . 1 . 2]" 1
847 1 60 SER H 1 79 ILE MD 6.610 . 7.110 4.988 4.394 5.516 . 0 0 "[ . 1 . 2]" 1
848 1 60 SER H 1 61 PRO QD 5.340 . 5.840 4.384 4.351 4.414 . 0 0 "[ . 1 . 2]" 1
849 1 60 SER H 1 64 LEU HG 5.500 . 6.000 3.626 3.324 3.847 . 0 0 "[ . 1 . 2]" 1
850 1 51 LYS H 1 122 GLN QG 5.160 . 5.660 4.369 4.210 4.483 . 0 0 "[ . 1 . 2]" 1
851 1 51 LYS H 1 51 LYS HB2 3.920 . 4.420 3.294 2.713 3.920 . 0 0 "[ . 1 . 2]" 1
852 1 51 LYS H 1 124 ALA MB 4.970 . 5.470 3.493 2.451 4.173 . 0 0 "[ . 1 . 2]" 1
853 1 82 ASP H 1 86 LYS QB 5.810 . 6.310 4.652 3.765 5.243 . 0 0 "[ . 1 . 2]" 1
854 1 81 ARG QB 1 82 ASP H 4.650 . 5.150 2.681 1.691 3.869 0.109 15 0 "[ . 1 . 2]" 1
855 1 82 ASP H 1 87 GLU H 4.190 . 4.690 3.761 2.763 4.312 . 0 0 "[ . 1 . 2]" 1
856 1 82 ASP H 1 86 LYS HA 4.370 . 4.870 2.843 2.204 3.263 . 0 0 "[ . 1 . 2]" 1
857 1 81 ARG QG 1 82 ASP H . . 4.690 2.635 1.587 3.793 0.213 5 0 "[ . 1 . 2]" 1
858 1 112 ALA H 1 119 LEU H 3.790 . 4.290 3.677 3.279 3.813 . 0 0 "[ . 1 . 2]" 1
859 1 111 GLY H 1 112 ALA H 3.240 . 3.740 2.432 1.647 2.687 0.153 14 0 "[ . 1 . 2]" 1
860 1 109 MET HA 1 112 ALA H 4.470 . 4.970 3.597 2.886 3.876 . 0 0 "[ . 1 . 2]" 1
861 1 110 ASP HA 1 112 ALA H 3.920 . 4.420 3.574 3.424 4.038 . 0 0 "[ . 1 . 2]" 1
862 1 111 GLY HA2 1 112 ALA H 3.460 . 3.960 3.324 3.285 3.382 . 0 0 "[ . 1 . 2]" 1
863 1 112 ALA H 1 119 LEU HB2 4.080 . 4.580 2.820 2.514 3.065 . 0 0 "[ . 1 . 2]" 1
864 1 109 MET QB 1 112 ALA H 5.950 . 6.450 4.436 4.059 4.650 . 0 0 "[ . 1 . 2]" 1
865 1 112 ALA H 1 119 LEU HG 5.500 . 6.000 4.989 4.779 5.559 . 0 0 "[ . 1 . 2]" 1
866 1 112 ALA H 1 112 ALA MB 3.340 . 3.840 2.192 2.158 2.204 . 0 0 "[ . 1 . 2]" 1
867 1 112 ALA H 1 119 LEU HB3 4.890 . 5.390 4.245 3.780 4.618 . 0 0 "[ . 1 . 2]" 1
868 1 112 ALA H 1 121 VAL QG 7.310 . 7.810 4.812 4.608 5.022 . 0 0 "[ . 1 . 2]" 1
869 1 112 ALA H 1 119 LEU QD 5.570 . 6.070 3.841 3.336 4.000 . 0 0 "[ . 1 . 2]" 1
870 1 50 LEU H 1 96 PHE H 3.970 . 4.470 2.638 2.201 3.324 . 0 0 "[ . 1 . 2]" 1
871 1 49 SER QB 1 50 LEU H 5.880 . 6.310 3.623 2.746 4.105 . 0 0 "[ . 1 . 2]" 1
872 1 50 LEU H 1 95 ARG QG 5.380 . 5.880 2.712 1.898 3.615 . 0 0 "[ . 1 . 2]" 1
873 1 50 LEU H 1 102 ALA MB 6.050 . 6.550 4.005 3.459 4.556 . 0 0 "[ . 1 . 2]" 1
874 1 50 LEU H 1 124 ALA H 5.160 . 5.660 4.693 4.266 5.171 . 0 0 "[ . 1 . 2]" 1
875 1 50 LEU H 1 95 ARG HA 4.850 . 5.350 3.651 2.722 4.678 . 0 0 "[ . 1 . 2]" 1
876 1 50 LEU H 1 51 LYS HA 5.170 . 5.670 4.948 4.449 5.393 . 0 0 "[ . 1 . 2]" 1
877 1 50 LEU H 1 123 MET HA 5.460 . 5.960 4.559 4.176 4.855 . 0 0 "[ . 1 . 2]" 1
878 1 52 VAL H 1 94 VAL H 4.910 . 5.410 2.745 2.462 3.197 . 0 0 "[ . 1 . 2]" 1
879 1 93 PHE HA 1 94 VAL H 3.530 . 4.030 2.582 2.375 2.683 . 0 0 "[ . 1 . 2]" 1
880 1 94 VAL H 1 94 VAL HB 3.970 . 4.470 2.798 2.493 3.851 . 0 0 "[ . 1 . 2]" 1
881 1 52 VAL MG2 1 94 VAL H 5.250 . 5.750 3.821 3.704 3.937 . 0 0 "[ . 1 . 2]" 1
882 1 93 PHE QB 1 94 VAL H 4.570 . 5.070 4.069 4.016 4.112 . 0 0 "[ . 1 . 2]" 1
883 1 51 LYS HA 1 94 VAL H 4.870 . 5.370 4.413 4.035 4.884 . 0 0 "[ . 1 . 2]" 1
884 1 93 PHE QD 1 94 VAL H 4.820 . 5.320 3.734 3.135 4.059 . 0 0 "[ . 1 . 2]" 1
885 1 53 ASP HA 1 94 VAL H 5.070 . 5.570 4.772 4.526 4.920 . 0 0 "[ . 1 . 2]" 1
886 1 77 VAL QG 1 94 VAL H 7.270 . 7.770 4.505 3.845 4.930 . 0 0 "[ . 1 . 2]" 1
887 1 92 ALA MB 1 94 VAL H 6.610 . 7.110 3.273 2.876 3.830 . 0 0 "[ . 1 . 2]" 1
888 1 52 VAL MG1 1 94 VAL H 5.800 . 6.300 3.601 3.275 3.848 . 0 0 "[ . 1 . 2]" 1
889 1 96 PHE H 1 96 PHE HB2 4.030 . 4.530 2.525 2.399 2.721 . 0 0 "[ . 1 . 2]" 1
890 1 96 PHE H 1 97 HIS H 4.740 . 5.240 4.573 4.461 4.694 . 0 0 "[ . 1 . 2]" 1
891 1 96 PHE H 1 96 PHE QD 4.200 . 4.700 2.265 1.807 2.630 . 0 0 "[ . 1 . 2]" 1
892 1 96 PHE H 1 96 PHE QE 5.300 . 5.800 4.525 4.167 4.836 . 0 0 "[ . 1 . 2]" 1
893 1 49 SER HA 1 96 PHE H 4.130 . 4.630 4.075 3.731 4.251 . 0 0 "[ . 1 . 2]" 1
894 1 96 PHE H 1 96 PHE HB3 3.850 . 4.350 3.692 3.596 3.828 . 0 0 "[ . 1 . 2]" 1
895 1 95 ARG QB 1 96 PHE H 4.620 . 5.120 3.647 2.912 4.072 . 0 0 "[ . 1 . 2]" 1
896 1 95 ARG QG 1 96 PHE H 5.480 . 5.980 2.691 1.941 3.687 . 0 0 "[ . 1 . 2]" 1
897 1 96 PHE H 1 102 ALA MB 6.440 . 6.940 4.452 4.356 4.628 . 0 0 "[ . 1 . 2]" 1
898 1 76 ASP HA 1 77 VAL H 3.180 . 3.680 2.412 2.201 2.511 . 0 0 "[ . 1 . 2]" 1
899 1 77 VAL H 1 77 VAL HB 3.800 . 4.300 3.477 2.601 3.613 . 0 0 "[ . 1 . 2]" 1
900 1 77 VAL H 1 78 TYR H 4.520 . 5.020 4.052 2.147 4.292 . 0 0 "[ . 1 . 2]" 1
901 1 76 ASP QB 1 77 VAL H 5.080 . 5.580 3.210 2.225 3.421 . 0 0 "[ . 1 . 2]" 1
902 1 74 VAL QG 1 77 VAL H 6.810 . 7.310 4.424 4.159 4.793 . 0 0 "[ . 1 . 2]" 1
903 1 44 VAL H 1 45 GLU H 3.590 . 4.090 2.720 1.802 3.048 . 0 0 "[ . 1 . 2]" 1
904 1 45 GLU H 1 45 GLU QB 3.490 . 3.990 2.489 2.421 2.650 . 0 0 "[ . 1 . 2]" 1
905 1 44 VAL QG 1 45 GLU H 5.220 . 5.720 2.942 2.486 3.621 . 0 0 "[ . 1 . 2]" 1
906 1 43 ASP HA 1 45 GLU H 4.290 . 4.790 3.109 2.854 4.281 . 0 0 "[ . 1 . 2]" 1
907 1 121 VAL H 1 122 GLN H 4.370 . 4.870 4.091 4.016 4.168 . 0 0 "[ . 1 . 2]" 1
908 1 51 LYS HB2 1 122 GLN H 5.500 . 6.000 5.278 5.070 5.462 . 0 0 "[ . 1 . 2]" 1
909 1 52 VAL MG2 1 122 GLN H 5.040 . 5.540 4.117 3.912 4.235 . 0 0 "[ . 1 . 2]" 1
910 1 71 TYR QE 1 105 ALA H 6.170 . 6.670 5.531 5.496 5.554 . 0 0 "[ . 1 . 2]" 1
911 1 103 GLU HA 1 105 ALA H 4.660 . 5.160 4.370 4.313 4.447 . 0 0 "[ . 1 . 2]" 1
912 1 103 GLU QB 1 105 ALA H 5.720 . 6.220 4.782 4.726 4.850 . 0 0 "[ . 1 . 2]" 1
913 1 50 LEU QD 1 105 ALA H 6.170 . 6.670 3.795 3.629 4.185 . 0 0 "[ . 1 . 2]" 1
914 1 104 ASP H 1 105 ALA H 3.200 . 3.700 2.542 2.477 2.640 . 0 0 "[ . 1 . 2]" 1
915 1 105 ALA H 1 107 ASP H 4.100 . 4.600 4.070 4.043 4.105 . 0 0 "[ . 1 . 2]" 1
916 1 71 TYR QD 1 105 ALA H 4.950 . 5.450 3.841 3.799 3.898 . 0 0 "[ . 1 . 2]" 1
917 1 71 TYR HB2 1 105 ALA H 5.170 . 5.670 5.153 4.934 5.210 . 0 0 "[ . 1 . 2]" 1
918 1 104 ASP HB3 1 105 ALA H 3.600 . 4.100 3.589 3.504 3.613 . 0 0 "[ . 1 . 2]" 1
919 1 104 ASP HB2 1 105 ALA H 3.370 . 3.870 2.703 2.669 2.753 . 0 0 "[ . 1 . 2]" 1
920 1 105 ALA H 1 106 MET HG2 5.390 . 5.890 4.327 4.220 4.452 . 0 0 "[ . 1 . 2]" 1
921 1 105 ALA H 1 105 ALA MB 3.480 . 3.980 2.203 2.189 2.211 . 0 0 "[ . 1 . 2]" 1
922 1 105 ALA H 1 108 ALA MB 6.210 . 6.710 5.143 4.984 5.187 . 0 0 "[ . 1 . 2]" 1
923 1 51 LYS H 1 122 GLN H 3.940 . 4.440 3.470 2.878 3.924 . 0 0 "[ . 1 . 2]" 1
924 1 121 VAL HA 1 122 GLN H 3.070 . 3.570 2.207 2.166 2.248 . 0 0 "[ . 1 . 2]" 1
925 1 51 LYS HB3 1 122 GLN H 5.280 . 5.780 4.375 3.534 5.295 . 0 0 "[ . 1 . 2]" 1
926 1 121 VAL QG 1 122 GLN H 4.300 . 4.800 2.750 2.532 2.908 . 0 0 "[ . 1 . 2]" 1
927 1 122 GLN H 1 123 MET H 4.440 . 4.940 4.390 4.369 4.413 . 0 0 "[ . 1 . 2]" 1
928 1 122 GLN H 1 122 GLN QG 4.530 . 5.030 3.137 2.923 3.423 . 0 0 "[ . 1 . 2]" 1
929 1 50 LEU QB 1 122 GLN H 6.170 . 6.670 5.324 5.036 5.538 . 0 0 "[ . 1 . 2]" 1
930 1 120 ARG HB3 1 122 GLN H 5.500 . 6.000 5.278 5.059 5.530 . 0 0 "[ . 1 . 2]" 1
931 1 105 ALA H 1 106 MET ME 6.610 . 7.110 5.535 5.518 5.550 . 0 0 "[ . 1 . 2]" 1
932 1 57 TYR H 1 57 TYR QD 4.330 . 4.830 2.000 1.856 2.369 . 0 0 "[ . 1 . 2]" 1
933 1 56 THR HB 1 57 TYR H 3.510 . 4.010 2.360 2.263 2.484 . 0 0 "[ . 1 . 2]" 1
934 1 56 THR MG 1 57 TYR H 4.680 . 5.180 3.796 3.721 3.902 . 0 0 "[ . 1 . 2]" 1
935 1 56 THR H 1 57 TYR H 4.820 . 5.320 4.611 4.516 4.659 . 0 0 "[ . 1 . 2]" 1
936 1 123 MET H 1 123 MET QG 4.010 . 4.510 2.534 1.933 3.276 . 0 0 "[ . 1 . 2]" 1
937 1 122 GLN QG 1 123 MET H 4.840 . 5.340 3.489 3.319 3.587 . 0 0 "[ . 1 . 2]" 1
938 1 122 GLN QB 1 123 MET H . . 3.870 2.361 2.271 2.459 . 0 0 "[ . 1 . 2]" 1
939 1 123 MET H 1 123 MET QB 3.580 . 4.080 2.404 2.306 2.481 . 0 0 "[ . 1 . 2]" 1
940 1 50 LEU QD 1 123 MET H 5.160 . 5.660 2.994 2.784 3.161 . 0 0 "[ . 1 . 2]" 1
941 1 57 TYR H 1 57 TYR QE 5.530 . 6.030 3.936 3.848 4.231 . 0 0 "[ . 1 . 2]" 1
942 1 37 TYR H 1 38 GLY H 4.570 . 5.070 4.275 2.183 4.641 . 0 0 "[ . 1 . 2]" 1
943 1 37 TYR H 1 37 TYR QD 4.390 . 4.890 3.048 2.575 3.566 . 0 0 "[ . 1 . 2]" 1
944 1 36 SER HA 1 37 TYR H 3.540 . 4.040 3.027 2.420 3.519 . 0 0 "[ . 1 . 2]" 1
945 1 36 SER QB 1 37 TYR H 4.530 . 5.030 3.309 2.264 4.036 . 0 0 "[ . 1 . 2]" 1
946 1 37 TYR H 1 37 TYR QE 5.500 . 6.000 4.797 4.233 5.043 . 0 0 "[ . 1 . 2]" 1
947 1 54 ASN HB3 1 118 GLU H 5.280 . 5.780 5.099 4.909 5.344 . 0 0 "[ . 1 . 2]" 1
948 1 117 ARG H 1 118 GLU H 4.390 . 4.890 4.242 4.054 4.416 . 0 0 "[ . 1 . 2]" 1
949 1 128 ARG H 1 129 PRO QD 5.280 . 5.780 3.990 3.730 4.208 . 0 0 "[ . 1 . 2]" 1
950 1 114 LEU H 1 118 GLU H 5.420 . 5.920 5.329 4.797 5.537 . 0 0 "[ . 1 . 2]" 1
951 1 54 ASN QD 1 118 GLU H 4.370 . 4.650 2.666 2.324 3.035 . 0 0 "[ . 1 . 2]" 1
952 1 117 ARG HG3 1 118 GLU H 3.800 . 4.300 2.605 2.234 2.744 . 0 0 "[ . 1 . 2]" 1
953 1 117 ARG HG2 1 118 GLU H 3.870 . 4.370 3.892 3.651 4.006 . 0 0 "[ . 1 . 2]" 1
954 1 117 ARG HA 1 118 GLU H 2.750 . 3.250 2.827 2.700 2.924 . 0 0 "[ . 1 . 2]" 1
955 1 117 ARG QD 1 118 GLU H 4.030 . 4.530 3.131 2.515 3.694 . 0 0 "[ . 1 . 2]" 1
956 1 118 GLU H 1 118 GLU HB2 3.050 . 3.550 2.447 2.332 2.545 . 0 0 "[ . 1 . 2]" 1
957 1 117 ARG QB 1 118 GLU H 3.220 . 3.720 1.847 1.737 2.034 0.063 17 0 "[ . 1 . 2]" 1
958 1 118 GLU H 1 119 LEU QD 5.900 . 6.400 4.395 3.871 4.487 . 0 0 "[ . 1 . 2]" 1
959 1 88 SER H 1 89 ARG H 4.180 . 4.680 2.721 2.105 3.331 . 0 0 "[ . 1 . 2]" 1
960 1 89 ARG H 1 90 GLY H 3.700 . 4.200 2.990 2.711 3.578 . 0 0 "[ . 1 . 2]" 1
961 1 89 ARG H 1 91 PHE H 5.000 . 5.500 4.963 4.626 5.063 . 0 0 "[ . 1 . 2]" 1
962 1 88 SER HA 1 89 ARG H 3.490 . 3.990 2.978 2.772 3.525 . 0 0 "[ . 1 . 2]" 1
963 1 81 ARG QD 1 89 ARG H 5.570 . 6.070 3.425 1.917 3.875 . 0 0 "[ . 1 . 2]" 1
964 1 89 ARG H 1 89 ARG QG 4.590 . 5.090 3.249 1.894 3.970 . 0 0 "[ . 1 . 2]" 1
965 1 36 SER H 1 37 TYR QB 6.170 . 6.670 4.337 3.729 5.603 . 0 0 "[ . 1 . 2]" 1
966 1 120 ARG H 1 121 VAL H 5.220 . 5.720 4.346 4.265 4.400 . 0 0 "[ . 1 . 2]" 1
967 1 119 LEU HA 1 120 ARG H 3.440 . 3.940 2.356 2.256 2.426 . 0 0 "[ . 1 . 2]" 1
968 1 119 LEU HB2 1 120 ARG H 4.580 . 5.080 3.851 3.695 4.006 . 0 0 "[ . 1 . 2]" 1
969 1 120 ARG H 1 120 ARG HB3 4.140 . 4.640 3.752 3.695 3.818 . 0 0 "[ . 1 . 2]" 1
970 1 119 LEU QD 1 120 ARG H 5.430 . 5.930 3.381 3.109 3.738 . 0 0 "[ . 1 . 2]" 1
971 1 119 LEU HB3 1 120 ARG H 4.280 . 4.780 2.677 2.431 2.894 . 0 0 "[ . 1 . 2]" 1
972 1 127 GLY H 1 128 ARG H 4.180 . 4.680 2.162 1.825 2.676 . 0 0 "[ . 1 . 2]" 1
973 1 128 ARG H 1 128 ARG QD 5.930 . 6.430 4.820 3.572 5.295 . 0 0 "[ . 1 . 2]" 1
974 1 128 ARG H 1 129 PRO QG 6.170 . 6.670 5.637 5.489 5.732 . 0 0 "[ . 1 . 2]" 1
975 1 127 GLY QA 1 128 ARG H 3.340 . 3.840 2.777 2.649 2.891 . 0 0 "[ . 1 . 2]" 1
976 1 128 ARG H 1 128 ARG QG 3.700 . 4.200 3.268 2.825 3.462 . 0 0 "[ . 1 . 2]" 1
977 1 128 ARG H 1 128 ARG QB 3.690 . 4.190 3.164 2.758 3.450 . 0 0 "[ . 1 . 2]" 1
978 1 102 ALA H 1 104 ASP H 4.780 . 5.280 4.055 3.954 4.152 . 0 0 "[ . 1 . 2]" 1
979 1 36 SER H 1 37 TYR QD 5.030 . 5.530 3.537 2.334 4.520 . 0 0 "[ . 1 . 2]" 1
980 1 71 TYR QD 1 104 ASP H 6.170 . 6.670 5.416 5.258 5.498 . 0 0 "[ . 1 . 2]" 1
981 1 104 ASP H 1 106 MET H 4.660 . 5.160 4.223 4.151 4.309 . 0 0 "[ . 1 . 2]" 1
982 1 100 ARG HA 1 104 ASP H 4.600 . 5.100 4.300 3.761 4.471 . 0 0 "[ . 1 . 2]" 1
983 1 104 ASP H 1 104 ASP HB3 3.580 . 4.080 3.570 3.556 3.580 . 0 0 "[ . 1 . 2]" 1
984 1 104 ASP H 1 104 ASP HB2 3.330 . 3.830 2.338 2.316 2.371 . 0 0 "[ . 1 . 2]" 1
985 1 103 GLU QG 1 104 ASP H 5.540 . 6.040 4.329 4.272 4.383 . 0 0 "[ . 1 . 2]" 1
986 1 103 GLU QB 1 104 ASP H 3.840 . 4.340 2.825 2.758 2.885 . 0 0 "[ . 1 . 2]" 1
987 1 100 ARG QG 1 104 ASP H 6.170 . 6.670 5.418 5.277 5.665 . 0 0 "[ . 1 . 2]" 1
988 1 104 ASP H 1 105 ALA MB 5.150 . 5.650 4.196 4.137 4.290 . 0 0 "[ . 1 . 2]" 1
989 1 116 GLY H 1 117 ARG H 3.400 . 3.900 1.936 1.736 2.259 0.064 17 0 "[ . 1 . 2]" 1
990 1 113 VAL HA 1 117 ARG H 4.580 . 5.080 4.382 3.693 4.637 . 0 0 "[ . 1 . 2]" 1
991 1 115 ASP HA 1 117 ARG H 5.190 . 5.690 4.899 4.603 5.091 . 0 0 "[ . 1 . 2]" 1
992 1 116 GLY QA 1 117 ARG H 3.940 . 4.440 2.953 2.905 2.992 . 0 0 "[ . 1 . 2]" 1
993 1 117 ARG H 1 118 GLU HA 5.440 . 5.940 5.131 4.652 5.357 . 0 0 "[ . 1 . 2]" 1
994 1 117 ARG H 1 117 ARG QD 4.640 . 5.140 4.141 3.896 4.215 . 0 0 "[ . 1 . 2]" 1
995 1 117 ARG H 1 117 ARG HG3 3.470 . 3.970 2.931 2.531 3.464 . 0 0 "[ . 1 . 2]" 1
996 1 117 ARG H 1 117 ARG HG2 3.340 . 3.840 2.202 2.079 2.492 . 0 0 "[ . 1 . 2]" 1
997 1 56 THR MG 1 117 ARG H 5.750 . 6.250 3.822 3.388 4.424 . 0 0 "[ . 1 . 2]" 1
998 1 113 VAL QG 1 117 ARG H . . 5.390 2.824 2.029 3.130 . 0 0 "[ . 1 . 2]" 1
999 1 117 ARG H 1 119 LEU QD 6.700 . 7.200 4.923 4.440 5.060 . 0 0 "[ . 1 . 2]" 1
1000 1 126 TYR H 1 126 TYR QD 4.330 . 4.830 3.383 2.654 3.780 . 0 0 "[ . 1 . 2]" 1
1001 1 125 ARG QB 1 126 TYR H 4.040 . 4.540 3.093 2.002 3.779 . 0 0 "[ . 1 . 2]" 1
1002 1 39 ARG H 1 40 PRO QD 4.640 . 5.140 4.255 4.090 4.290 . 0 0 "[ . 1 . 2]" 1
1003 1 39 ARG H 1 39 ARG QD 5.220 . 5.720 3.462 2.273 4.607 . 0 0 "[ . 1 . 2]" 1
1004 1 39 ARG H 1 39 ARG QG 3.920 . 4.420 2.088 1.687 3.229 0.113 13 0 "[ . 1 . 2]" 1
1005 1 39 ARG H 1 39 ARG QB 3.650 . 4.150 2.427 2.299 2.865 . 0 0 "[ . 1 . 2]" 1
1006 1 109 MET QG 1 110 ASP H 5.140 . 5.640 4.393 4.321 4.469 . 0 0 "[ . 1 . 2]" 1
1007 1 109 MET H 1 110 ASP H 3.460 . 3.960 2.103 2.042 2.202 . 0 0 "[ . 1 . 2]" 1
1008 1 108 ALA H 1 110 ASP H 4.190 . 4.690 3.454 3.378 3.530 . 0 0 "[ . 1 . 2]" 1
1009 1 110 ASP H 1 120 ARG HA 5.500 . 6.000 5.472 5.226 5.573 . 0 0 "[ . 1 . 2]" 1
1010 1 108 ALA HA 1 110 ASP H 5.500 . 6.000 4.699 4.579 4.814 . 0 0 "[ . 1 . 2]" 1
1011 1 106 MET HA 1 110 ASP H 4.000 . 4.500 2.579 2.379 2.817 . 0 0 "[ . 1 . 2]" 1
1012 1 110 ASP H 1 110 ASP QB 3.610 . 4.050 2.270 2.250 2.280 . 0 0 "[ . 1 . 2]" 1
1013 1 106 MET HG3 1 110 ASP H 5.300 . 5.800 5.005 4.948 5.131 . 0 0 "[ . 1 . 2]" 1
1014 1 109 MET QB 1 110 ASP H 3.870 . 4.370 3.017 2.921 3.186 . 0 0 "[ . 1 . 2]" 1
1015 1 110 ASP H 1 112 ALA MB 6.000 . 6.500 4.424 4.154 4.790 . 0 0 "[ . 1 . 2]" 1
1016 1 110 ASP H 1 121 VAL QG 4.650 . 5.150 3.089 2.362 3.469 . 0 0 "[ . 1 . 2]" 1
1017 1 110 ASP H 1 121 VAL H 5.140 . 5.640 5.001 4.817 5.192 . 0 0 "[ . 1 . 2]" 1
1018 1 106 MET HG2 1 110 ASP H 5.500 . 6.000 5.647 5.618 5.716 . 0 0 "[ . 1 . 2]" 1
1019 1 81 ARG H 1 82 ASP H 4.740 . 5.240 4.250 3.227 4.711 . 0 0 "[ . 1 . 2]" 1
1020 1 79 ILE H 1 81 ARG H 5.330 . 5.830 4.739 4.455 5.149 . 0 0 "[ . 1 . 2]" 1
1021 1 78 TYR QE 1 81 ARG H 6.170 . 6.670 5.165 4.507 5.509 . 0 0 "[ . 1 . 2]" 1
1022 1 80 PRO HA 1 81 ARG H 3.130 . 3.630 3.233 3.048 3.417 . 0 0 "[ . 1 . 2]" 1
1023 1 80 PRO QB 1 81 ARG H 4.600 . 5.100 3.579 2.897 4.005 . 0 0 "[ . 1 . 2]" 1
1024 1 80 PRO QG 1 81 ARG H 5.980 . 6.480 4.221 2.705 4.684 . 0 0 "[ . 1 . 2]" 1
1025 1 79 ILE HA 1 81 ARG H 4.970 . 5.470 3.664 3.409 3.803 . 0 0 "[ . 1 . 2]" 1
1026 1 81 ARG H 1 81 ARG QD 5.310 . 5.810 3.753 2.580 4.557 . 0 0 "[ . 1 . 2]" 1
1027 1 79 ILE MG 1 81 ARG H 5.750 . 6.250 2.079 1.802 2.576 . 0 0 "[ . 1 . 2]" 1
1028 1 75 GLY QA 1 97 HIS H 4.980 . 5.480 3.683 2.770 4.503 . 0 0 "[ . 1 . 2]" 1
1029 1 96 PHE HB3 1 97 HIS H 3.810 . 4.310 2.445 2.307 2.800 . 0 0 "[ . 1 . 2]" 1
1030 1 98 ASP H 1 99 LYS H 4.700 . 5.200 4.359 4.267 4.501 . 0 0 "[ . 1 . 2]" 1
1031 1 97 HIS H 1 98 ASP H 3.620 . 4.120 2.078 1.928 2.271 . 0 0 "[ . 1 . 2]" 1
1032 1 96 PHE QD 1 98 ASP H 4.880 . 5.380 4.213 4.003 4.355 . 0 0 "[ . 1 . 2]" 1
1033 1 96 PHE HA 1 98 ASP H 4.440 . 4.940 4.091 3.880 4.210 . 0 0 "[ . 1 . 2]" 1
1034 1 96 PHE HB3 1 98 ASP H 3.810 . 4.310 2.634 2.558 2.730 . 0 0 "[ . 1 . 2]" 1
1035 1 98 ASP H 1 102 ALA MB 5.660 . 6.160 3.447 3.240 3.798 . 0 0 "[ . 1 . 2]" 1
1036 1 97 HIS HD2 1 98 ASP H 5.500 . 6.000 5.039 3.580 5.586 . 0 0 "[ . 1 . 2]" 1
1037 1 96 PHE HB2 1 98 ASP H 4.750 . 5.250 3.786 3.631 3.942 . 0 0 "[ . 1 . 2]" 1
1038 1 131 ASP H 1 131 ASP QB 3.480 . 3.980 2.783 2.468 3.131 . 0 0 "[ . 1 . 2]" 1
1039 1 130 PRO QB 1 131 ASP H 4.090 . 4.590 3.444 2.332 3.771 . 0 0 "[ . 1 . 2]" 1
1040 1 96 PHE QD 1 97 HIS H 4.600 . 5.100 3.849 3.659 4.110 . 0 0 "[ . 1 . 2]" 1
1041 1 96 PHE HA 1 97 HIS H 3.470 . 3.970 2.412 2.277 2.513 . 0 0 "[ . 1 . 2]" 1
1042 1 96 PHE HB2 1 97 HIS H 4.660 . 5.160 3.660 3.532 3.982 . 0 0 "[ . 1 . 2]" 1
1043 1 97 HIS H 1 98 ASP QB 6.170 . 6.670 3.775 3.571 3.960 . 0 0 "[ . 1 . 2]" 1
1044 1 99 LYS H 1 101 ASP H 4.540 . 5.040 4.532 4.380 4.590 . 0 0 "[ . 1 . 2]" 1
1045 1 96 PHE HB3 1 101 ASP H 5.500 . 6.000 5.285 5.023 5.490 . 0 0 "[ . 1 . 2]" 1
1046 1 102 ALA H 1 103 GLU QG . . 5.920 4.454 4.360 4.569 . 0 0 "[ . 1 . 2]" 1
1047 1 98 ASP H 1 101 ASP H 5.040 . 5.540 4.704 4.543 4.828 . 0 0 "[ . 1 . 2]" 1
1048 1 101 ASP H 1 103 GLU H 4.500 . 5.000 4.188 4.032 4.309 . 0 0 "[ . 1 . 2]" 1
1049 1 96 PHE QD 1 101 ASP H 6.120 . 6.620 5.156 4.644 5.342 . 0 0 "[ . 1 . 2]" 1
1050 1 101 ASP H 1 102 ALA H 3.300 . 3.800 2.424 2.281 2.584 . 0 0 "[ . 1 . 2]" 1
1051 1 98 ASP HA 1 101 ASP H 5.040 . 5.540 4.995 4.886 5.131 . 0 0 "[ . 1 . 2]" 1
1052 1 72 GLY QA 1 101 ASP H 5.770 . 6.270 5.069 4.920 5.199 . 0 0 "[ . 1 . 2]" 1
1053 1 99 LYS HA 1 101 ASP H 4.690 . 5.190 4.552 4.386 4.721 . 0 0 "[ . 1 . 2]" 1
1054 1 100 ARG QD 1 101 ASP H 5.130 . 5.630 4.118 3.973 4.661 . 0 0 "[ . 1 . 2]" 1
1055 1 98 ASP QB 1 101 ASP H 4.000 . 4.500 3.100 2.805 3.344 . 0 0 "[ . 1 . 2]" 1
1056 1 100 ARG QB 1 101 ASP H 3.950 . 4.450 3.395 2.171 3.528 . 0 0 "[ . 1 . 2]" 1
1057 1 100 ARG QG 1 101 ASP H 4.000 . 4.500 2.094 1.883 3.715 . 0 0 "[ . 1 . 2]" 1
1058 1 101 ASP H 1 102 ALA MB 5.010 . 5.510 4.076 3.979 4.207 . 0 0 "[ . 1 . 2]" 1
1059 1 98 ASP H 1 102 ALA H 5.260 . 5.760 4.261 4.055 4.490 . 0 0 "[ . 1 . 2]" 1
1060 1 96 PHE HB3 1 102 ALA H 4.450 . 4.950 4.146 4.032 4.305 . 0 0 "[ . 1 . 2]" 1
1061 1 99 LYS QB 1 102 ALA H 6.170 . 6.670 4.792 4.692 4.898 . 0 0 "[ . 1 . 2]" 1
1062 1 102 ALA H 1 103 GLU QB 6.170 . 6.670 4.575 4.460 4.744 . 0 0 "[ . 1 . 2]" 1
1063 1 102 ALA H 1 123 MET ME 6.610 . 7.110 5.017 4.750 5.367 . 0 0 "[ . 1 . 2]" 1
1064 1 100 ARG H 1 102 ALA H 4.270 . 4.770 3.717 3.409 3.875 . 0 0 "[ . 1 . 2]" 1
1065 1 102 ALA H 1 103 GLU H 3.380 . 3.880 2.585 2.511 2.717 . 0 0 "[ . 1 . 2]" 1
1066 1 100 ARG HA 1 102 ALA H 4.550 . 5.050 4.180 3.959 4.289 . 0 0 "[ . 1 . 2]" 1
1067 1 99 LYS HA 1 102 ALA H 4.330 . 4.830 3.372 3.171 3.709 . 0 0 "[ . 1 . 2]" 1
1068 1 100 ARG QB 1 102 ALA H 5.800 . 6.300 4.902 4.220 5.004 . 0 0 "[ . 1 . 2]" 1
1069 1 48 THR MG 1 102 ALA H 5.490 . 5.990 4.309 3.876 4.617 . 0 0 "[ . 1 . 2]" 1
1070 1 50 LEU QD 1 102 ALA H 7.280 . 7.780 4.324 4.153 4.871 . 0 0 "[ . 1 . 2]" 1
1071 1 48 THR H 1 48 THR HB 3.990 . 4.490 2.578 2.457 3.084 . 0 0 "[ . 1 . 2]" 1
1072 1 47 MET QB 1 48 THR H 5.440 . 5.940 2.448 1.986 3.691 . 0 0 "[ . 1 . 2]" 1
1073 1 69 GLU H 1 71 TYR QD 5.130 . 5.630 4.359 4.242 4.518 . 0 0 "[ . 1 . 2]" 1
1074 1 66 ARG HA 1 69 GLU H 3.780 . 4.280 3.219 3.134 3.456 . 0 0 "[ . 1 . 2]" 1
1075 1 68 PHE HB3 1 69 GLU H 3.910 . 4.410 3.940 3.880 3.981 . 0 0 "[ . 1 . 2]" 1
1076 1 69 GLU H 1 69 GLU QG 4.570 . 5.070 3.970 3.832 4.061 . 0 0 "[ . 1 . 2]" 1
1077 1 69 GLU H 1 69 GLU QB 3.720 . 4.220 2.238 2.148 2.280 . 0 0 "[ . 1 . 2]" 1
1078 1 66 ARG H 1 69 GLU H 4.700 . 5.200 4.536 4.443 4.619 . 0 0 "[ . 1 . 2]" 1
1079 1 67 VAL HA 1 69 GLU H 4.400 . 4.900 4.322 4.001 4.421 . 0 0 "[ . 1 . 2]" 1
1080 1 69 GLU H 1 70 LYS HB3 5.160 . 5.660 4.772 4.621 4.931 . 0 0 "[ . 1 . 2]" 1
1081 1 58 ARG HB3 1 59 THR H 4.320 . 4.820 4.157 4.016 4.299 . 0 0 "[ . 1 . 2]" 1
1082 1 58 ARG HB2 1 59 THR H 4.110 . 4.610 3.279 3.023 3.468 . 0 0 "[ . 1 . 2]" 1
1083 1 55 LEU QD 1 59 THR H . . 6.750 3.402 3.114 3.737 . 0 0 "[ . 1 . 2]" 1
1084 1 56 THR H 1 59 THR H 4.280 . 4.780 3.591 3.286 3.901 . 0 0 "[ . 1 . 2]" 1
1085 1 59 THR H 1 59 THR HB 3.090 . 3.590 2.502 2.408 2.638 . 0 0 "[ . 1 . 2]" 1
1086 1 56 THR MG 1 59 THR H 4.940 . 5.440 4.129 4.037 4.163 . 0 0 "[ . 1 . 2]" 1
1087 1 55 LEU QB 1 59 THR H 4.920 . 5.420 4.142 3.807 4.414 . 0 0 "[ . 1 . 2]" 1
1088 1 68 PHE H 1 69 GLU H 3.390 . 3.890 2.210 2.102 2.311 . 0 0 "[ . 1 . 2]" 1
1089 1 69 GLU H 1 72 GLY H 5.360 . 5.860 5.412 5.228 5.520 . 0 0 "[ . 1 . 2]" 1
1090 1 65 ARG HA 1 69 GLU H 4.420 . 4.920 4.444 4.405 4.491 . 0 0 "[ . 1 . 2]" 1
1091 1 68 PHE HB2 1 69 GLU H 3.940 . 4.440 3.335 3.245 3.382 . 0 0 "[ . 1 . 2]" 1
1092 1 67 VAL QG 1 69 GLU H 5.930 . 6.430 4.296 3.979 4.499 . 0 0 "[ . 1 . 2]" 1
1093 1 63 THR HA 1 65 ARG H 4.660 . 5.160 4.242 4.071 4.544 . 0 0 "[ . 1 . 2]" 1
1094 1 87 GLU H 1 88 SER H 3.670 . 4.170 2.399 1.839 3.085 . 0 0 "[ . 1 . 2]" 1
1095 1 87 GLU H 1 87 GLU QG 3.980 . 4.480 2.193 1.909 2.708 . 0 0 "[ . 1 . 2]" 1
1096 1 85 THR H 1 87 GLU H 4.470 . 4.970 4.231 3.746 4.542 . 0 0 "[ . 1 . 2]" 1
1097 1 57 TYR H 1 59 THR H 4.870 . 5.370 4.326 4.190 4.494 . 0 0 "[ . 1 . 2]" 1
1098 1 65 ARG H 1 66 ARG H 3.260 . 3.760 2.708 2.616 2.797 . 0 0 "[ . 1 . 2]" 1
1099 1 64 LEU H 1 65 ARG H 3.640 . 4.140 2.700 2.600 2.841 . 0 0 "[ . 1 . 2]" 1
1100 1 62 ASP HA 1 65 ARG H 3.710 . 4.210 3.454 3.259 3.678 . 0 0 "[ . 1 . 2]" 1
1101 1 62 ASP QB 1 65 ARG H 5.940 . 6.440 4.940 4.727 5.145 . 0 0 "[ . 1 . 2]" 1
1102 1 65 ARG H 1 65 ARG QB 3.400 . 3.900 2.184 2.147 2.222 . 0 0 "[ . 1 . 2]" 1
1103 1 64 LEU HB2 1 65 ARG H 3.380 . 3.880 2.897 2.651 3.097 . 0 0 "[ . 1 . 2]" 1
1104 1 64 LEU HB3 1 65 ARG H 4.250 . 4.750 3.952 3.765 4.073 . 0 0 "[ . 1 . 2]" 1
1105 1 82 ASP QB 1 87 GLU H 4.530 . 4.720 2.733 2.040 3.805 . 0 0 "[ . 1 . 2]" 1
1106 1 85 THR MG 1 87 GLU H 6.170 . 6.670 4.827 4.394 5.162 . 0 0 "[ . 1 . 2]" 1
1107 1 62 ASP QB 1 64 LEU H 5.960 . 6.460 4.947 4.743 5.307 . 0 0 "[ . 1 . 2]" 1
1108 1 45 GLU QB 1 47 MET H 5.840 . 6.340 5.038 4.833 5.221 . 0 0 "[ . 1 . 2]" 1
1109 1 64 LEU H 1 64 LEU HB3 3.760 . 4.260 3.593 3.580 3.615 . 0 0 "[ . 1 . 2]" 1
1110 1 64 LEU H 1 67 VAL QG . . 6.850 3.927 3.453 4.244 . 0 0 "[ . 1 . 2]" 1
1111 1 64 LEU H 1 77 VAL QG 7.410 . 7.910 4.555 4.162 4.734 . 0 0 "[ . 1 . 2]" 1
1112 1 64 LEU H 1 64 LEU HB2 3.590 . 4.090 2.573 2.513 2.632 . 0 0 "[ . 1 . 2]" 1
1113 1 64 LEU H 1 64 LEU HG 3.790 . 4.290 2.009 1.887 2.152 . 0 0 "[ . 1 . 2]" 1
1114 1 59 THR MG 1 64 LEU H 4.980 . 5.480 3.566 3.348 3.814 . 0 0 "[ . 1 . 2]" 1
1115 1 113 VAL H 1 119 LEU H 5.500 . 6.000 5.434 5.179 5.529 . 0 0 "[ . 1 . 2]" 1
1116 1 44 VAL H 1 45 GLU QG 5.620 . 6.120 3.749 2.940 3.942 . 0 0 "[ . 1 . 2]" 1
1117 1 63 THR HB 1 64 LEU H 3.580 . 4.080 2.780 2.305 3.219 . 0 0 "[ . 1 . 2]" 1
1118 1 64 LEU H 1 65 ARG HA 5.420 . 5.920 5.309 5.236 5.423 . 0 0 "[ . 1 . 2]" 1
1119 1 64 LEU H 1 79 ILE MD 6.610 . 7.110 5.345 4.850 5.565 . 0 0 "[ . 1 . 2]" 1
1120 1 112 ALA H 1 113 VAL H 4.510 . 5.010 4.528 4.501 4.558 . 0 0 "[ . 1 . 2]" 1
1121 1 112 ALA HA 1 113 VAL H 2.760 . 3.260 2.650 2.592 2.699 . 0 0 "[ . 1 . 2]" 1
1122 1 113 VAL H 1 113 VAL HB 2.780 . 3.280 2.702 2.616 2.793 . 0 0 "[ . 1 . 2]" 1
1123 1 112 ALA MB 1 113 VAL H 3.360 . 3.860 2.021 1.948 2.081 . 0 0 "[ . 1 . 2]" 1
1124 1 100 ARG H 1 100 ARG QB 3.100 . 3.600 2.385 2.264 2.534 . 0 0 "[ . 1 . 2]" 1
1125 1 100 ARG H 1 100 ARG QG 3.290 . 3.790 2.337 2.007 2.611 . 0 0 "[ . 1 . 2]" 1
1126 1 100 ARG H 1 101 ASP H 3.220 . 3.720 2.552 2.295 2.640 . 0 0 "[ . 1 . 2]" 1
1127 1 100 ARG H 1 100 ARG QD 4.660 . 5.160 3.967 3.577 4.155 . 0 0 "[ . 1 . 2]" 1
1128 1 98 ASP QB 1 100 ARG H 4.500 . 5.000 3.653 3.055 3.900 . 0 0 "[ . 1 . 2]" 1
1129 1 100 ARG H 1 102 ALA MB 5.970 . 6.470 4.449 4.238 4.675 . 0 0 "[ . 1 . 2]" 1
1130 1 104 ASP HA 1 106 MET H 4.710 . 5.210 4.226 4.173 4.383 . 0 0 "[ . 1 . 2]" 1
1131 1 104 ASP HB3 1 106 MET H 5.320 . 5.820 5.422 5.396 5.457 . 0 0 "[ . 1 . 2]" 1
1132 1 105 ALA H 1 106 MET H 3.560 . 4.060 2.789 2.754 2.813 . 0 0 "[ . 1 . 2]" 1
1133 1 106 MET H 1 107 ASP H 3.360 . 3.860 2.308 2.250 2.409 . 0 0 "[ . 1 . 2]" 1
1134 1 106 MET H 1 108 ALA H 4.160 . 4.660 3.879 3.806 3.945 . 0 0 "[ . 1 . 2]" 1
1135 1 106 MET H 1 107 ASP HA 5.260 . 5.760 4.984 4.943 5.078 . 0 0 "[ . 1 . 2]" 1
1136 1 106 MET H 1 107 ASP HB3 4.860 . 5.360 4.524 4.466 4.597 . 0 0 "[ . 1 . 2]" 1
1137 1 106 MET H 1 107 ASP HB2 5.010 . 5.510 4.578 4.517 4.674 . 0 0 "[ . 1 . 2]" 1
1138 1 106 MET H 1 106 MET HG3 4.190 . 4.690 3.350 3.181 3.517 . 0 0 "[ . 1 . 2]" 1
1139 1 106 MET H 1 106 MET HG2 3.090 . 3.590 2.010 1.936 2.081 . 0 0 "[ . 1 . 2]" 1
1140 1 106 MET H 1 106 MET QB 3.560 . 4.060 2.621 2.567 2.675 . 0 0 "[ . 1 . 2]" 1
1141 1 105 ALA MB 1 106 MET H 3.840 . 4.340 2.750 2.681 2.803 . 0 0 "[ . 1 . 2]" 1
1142 1 50 LEU QD 1 106 MET H 5.270 . 5.770 3.153 2.843 3.431 . 0 0 "[ . 1 . 2]" 1
1143 1 43 ASP HA 1 44 VAL H 3.310 . 3.810 3.103 2.974 3.208 . 0 0 "[ . 1 . 2]" 1
1144 1 43 ASP QB 1 44 VAL H 4.430 . 4.930 3.812 3.653 4.015 . 0 0 "[ . 1 . 2]" 1
1145 1 44 VAL H 1 44 VAL HB 3.840 . 4.340 3.020 2.420 3.637 . 0 0 "[ . 1 . 2]" 1
1146 1 43 ASP H 1 44 VAL H 3.710 . 4.210 2.234 1.795 2.830 0.005 6 0 "[ . 1 . 2]" 1
1147 1 44 VAL H 1 45 GLU QB 5.760 . 6.260 4.749 3.973 4.902 . 0 0 "[ . 1 . 2]" 1
1148 1 42 PRO QB 1 44 VAL H 5.840 . 6.340 4.971 3.215 5.271 . 0 0 "[ . 1 . 2]" 1
1149 1 44 VAL H 1 47 MET ME 6.610 . 7.110 3.656 2.527 5.064 . 0 0 "[ . 1 . 2]" 1
1150 1 48 THR MG 1 100 ARG H 6.170 . 6.670 5.068 4.731 5.179 . 0 0 "[ . 1 . 2]" 1
1151 1 44 VAL QG 1 47 MET H 7.410 . 7.910 4.458 3.820 5.492 . 0 0 "[ . 1 . 2]" 1
1152 1 69 GLU H 1 70 LYS H 3.350 . 3.850 2.690 2.537 2.828 . 0 0 "[ . 1 . 2]" 1
1153 1 70 LYS H 1 71 TYR H 3.340 . 3.840 2.544 2.382 2.630 . 0 0 "[ . 1 . 2]" 1
1154 1 70 LYS H 1 72 GLY H 4.100 . 4.600 4.101 3.983 4.162 . 0 0 "[ . 1 . 2]" 1
1155 1 70 LYS H 1 71 TYR QD 4.240 . 4.740 3.180 3.015 3.308 . 0 0 "[ . 1 . 2]" 1
1156 1 70 LYS H 1 71 TYR QE 5.620 . 6.120 4.496 4.391 4.679 . 0 0 "[ . 1 . 2]" 1
1157 1 68 PHE HA 1 70 LYS H 3.960 . 4.460 3.639 3.495 3.720 . 0 0 "[ . 1 . 2]" 1
1158 1 70 LYS H 1 71 TYR HA 5.460 . 5.960 5.190 5.049 5.259 . 0 0 "[ . 1 . 2]" 1
1159 1 70 LYS H 1 70 LYS HA 2.910 . 3.410 2.881 2.859 2.926 . 0 0 "[ . 1 . 2]" 1
1160 1 69 GLU QB 1 70 LYS H 4.950 . 5.340 3.014 2.785 3.165 . 0 0 "[ . 1 . 2]" 1
1161 1 70 LYS H 1 70 LYS HB3 2.880 . 3.380 2.401 2.359 2.437 . 0 0 "[ . 1 . 2]" 1
1162 1 67 VAL QG 1 70 LYS H 7.130 . 7.630 4.971 4.567 5.055 . 0 0 "[ . 1 . 2]" 1
1163 1 70 LYS H 1 74 VAL QG 6.870 . 7.370 4.683 4.478 5.150 . 0 0 "[ . 1 . 2]" 1
1164 1 68 PHE H 1 70 LYS H 4.640 . 5.140 4.188 3.974 4.319 . 0 0 "[ . 1 . 2]" 1
1165 1 55 LEU HG 1 92 ALA H 4.820 . 5.320 3.965 3.047 4.863 . 0 0 "[ . 1 . 2]" 1
1166 1 55 LEU QB 1 92 ALA H 6.170 . 6.670 5.112 4.383 5.486 . 0 0 "[ . 1 . 2]" 1
1167 1 91 PHE QD 1 92 ALA H 4.210 . 4.710 2.578 2.346 2.778 . 0 0 "[ . 1 . 2]" 1
1168 1 91 PHE HA 1 92 ALA H 3.290 . 3.790 2.580 2.488 2.673 . 0 0 "[ . 1 . 2]" 1
1169 1 53 ASP HA 1 92 ALA H 4.030 . 4.530 2.453 1.945 2.917 . 0 0 "[ . 1 . 2]" 1
1170 1 91 PHE QB 1 92 ALA H 4.240 . 4.740 2.182 2.071 2.405 . 0 0 "[ . 1 . 2]" 1
1171 1 91 PHE QE 1 92 ALA H 6.170 . 6.670 4.668 4.433 4.793 . 0 0 "[ . 1 . 2]" 1
1172 1 61 PRO HA 1 63 THR H 4.720 . 5.220 4.176 3.871 4.432 . 0 0 "[ . 1 . 2]" 1
1173 1 63 THR H 1 65 ARG QB 5.530 . 6.030 4.678 4.492 4.950 . 0 0 "[ . 1 . 2]" 1
1174 1 63 THR H 1 64 LEU HG 4.480 . 4.980 4.162 4.043 4.248 . 0 0 "[ . 1 . 2]" 1
1175 1 63 THR H 1 65 ARG H 4.360 . 4.860 3.917 3.750 4.134 . 0 0 "[ . 1 . 2]" 1
1176 1 60 SER H 1 63 THR H 4.150 . 4.650 3.601 3.343 3.896 . 0 0 "[ . 1 . 2]" 1
1177 1 60 SER HA 1 63 THR H 4.870 . 5.370 4.674 4.522 4.853 . 0 0 "[ . 1 . 2]" 1
1178 1 60 SER QB 1 63 THR H 4.400 . 4.900 2.928 2.516 3.765 . 0 0 "[ . 1 . 2]" 1
1179 1 61 PRO QD 1 63 THR H 5.660 . 6.160 4.325 4.194 4.567 . 0 0 "[ . 1 . 2]" 1
1180 1 63 THR H 1 77 VAL QG 7.410 . 7.910 5.506 5.209 5.561 . 0 0 "[ . 1 . 2]" 1
1181 1 63 THR H 1 64 LEU H 3.340 . 3.840 2.621 2.481 2.709 . 0 0 "[ . 1 . 2]" 1
1182 1 62 ASP QB 1 63 THR H 4.000 . 4.500 2.784 2.483 3.580 . 0 0 "[ . 1 . 2]" 1
1183 1 63 THR H 1 63 THR MG 4.410 . 4.910 3.286 2.787 3.687 . 0 0 "[ . 1 . 2]" 1
1184 1 108 ALA H 1 109 MET QB 4.740 . 5.240 4.116 4.028 4.192 . 0 0 "[ . 1 . 2]" 1
1185 1 108 ALA H 1 109 MET H 3.280 . 3.780 1.937 1.907 1.978 . 0 0 "[ . 1 . 2]" 1
1186 1 107 ASP H 1 108 ALA H 3.320 . 3.820 2.649 2.605 2.692 . 0 0 "[ . 1 . 2]" 1
1187 1 71 TYR QE 1 108 ALA H 5.190 . 5.690 4.263 4.204 4.359 . 0 0 "[ . 1 . 2]" 1
1188 1 108 ALA H 1 109 MET HA 4.930 . 5.430 4.722 4.689 4.755 . 0 0 "[ . 1 . 2]" 1
1189 1 107 ASP HA 1 108 ALA H 3.560 . 4.060 3.409 3.375 3.425 . 0 0 "[ . 1 . 2]" 1
1190 1 106 MET HA 1 108 ALA H 4.570 . 5.070 3.521 3.446 3.586 . 0 0 "[ . 1 . 2]" 1
1191 1 105 ALA HA 1 108 ALA H 4.190 . 4.690 3.945 3.805 4.009 . 0 0 "[ . 1 . 2]" 1
1192 1 107 ASP HB3 1 108 ALA H 3.560 . 4.060 3.388 3.339 3.444 . 0 0 "[ . 1 . 2]" 1
1193 1 106 MET HG2 1 108 ALA H 5.500 . 6.000 4.795 4.615 4.931 . 0 0 "[ . 1 . 2]" 1
1194 1 105 ALA MB 1 108 ALA H 5.960 . 6.460 4.828 4.710 4.867 . 0 0 "[ . 1 . 2]" 1
1195 1 108 ALA H 1 108 ALA MB 3.280 . 3.780 2.420 2.392 2.459 . 0 0 "[ . 1 . 2]" 1
1196 1 83 ARG QB 1 84 TYR H 5.080 . 5.580 3.772 3.405 4.073 . 0 0 "[ . 1 . 2]" 1
1197 1 83 ARG QG 1 84 TYR H 5.570 . 6.070 4.004 3.329 4.541 . 0 0 "[ . 1 . 2]" 1
1198 1 84 TYR H 1 85 THR H 3.200 . 3.700 1.748 1.705 1.779 0.095 17 0 "[ . 1 . 2]" 1
1199 1 83 ARG H 1 84 TYR H 3.730 . 4.230 2.741 1.799 3.136 0.001 17 0 "[ . 1 . 2]" 1
1200 1 84 TYR H 1 86 LYS H 3.870 . 4.370 2.904 2.816 2.993 . 0 0 "[ . 1 . 2]" 1
1201 1 82 ASP HA 1 84 TYR H 4.220 . 4.720 3.926 3.674 4.264 . 0 0 "[ . 1 . 2]" 1
1202 1 84 TYR H 1 85 THR HA 4.880 . 5.380 4.558 4.523 4.590 . 0 0 "[ . 1 . 2]" 1
1203 1 84 TYR H 1 86 LYS HA 4.590 . 5.090 4.683 4.650 4.735 . 0 0 "[ . 1 . 2]" 1
1204 1 82 ASP QB 1 84 TYR H 3.960 . 4.460 2.916 2.298 3.529 . 0 0 "[ . 1 . 2]" 1
1205 1 110 ASP QB 1 111 GLY H 5.280 . 5.380 3.859 3.783 4.060 . 0 0 "[ . 1 . 2]" 1
1206 1 111 GLY H 1 119 LEU QD 7.410 . 7.910 4.859 4.074 5.211 . 0 0 "[ . 1 . 2]" 1
1207 1 111 GLY H 1 119 LEU H 3.810 . 4.310 3.570 3.079 3.820 . 0 0 "[ . 1 . 2]" 1
1208 1 110 ASP H 1 111 GLY H 4.500 . 5.000 4.371 3.533 4.567 . 0 0 "[ . 1 . 2]" 1
1209 1 111 GLY H 1 120 ARG HA 4.440 . 4.940 3.170 2.692 4.444 . 0 0 "[ . 1 . 2]" 1
1210 1 110 ASP HA 1 111 GLY H 3.280 . 3.780 2.223 2.136 2.530 . 0 0 "[ . 1 . 2]" 1
1211 1 111 GLY H 1 119 LEU HB2 4.270 . 4.770 3.650 2.999 4.040 . 0 0 "[ . 1 . 2]" 1
1212 1 109 MET QB 1 111 GLY H 5.860 . 6.360 4.981 4.119 5.245 . 0 0 "[ . 1 . 2]" 1
1213 1 111 GLY H 1 112 ALA MB 5.420 . 5.920 4.096 3.417 4.323 . 0 0 "[ . 1 . 2]" 1
1214 1 111 GLY H 1 121 VAL QG 5.990 . 6.490 4.228 3.939 4.453 . 0 0 "[ . 1 . 2]" 1
1215 1 43 ASP H 1 43 ASP QB 3.730 . 4.230 2.877 2.540 3.341 . 0 0 "[ . 1 . 2]" 1
1216 1 43 ASP H 1 44 VAL HA 5.240 . 5.740 4.502 4.132 5.376 . 0 0 "[ . 1 . 2]" 1
1217 1 100 ARG QG 1 103 GLU H 6.170 . 6.670 5.197 5.030 5.281 . 0 0 "[ . 1 . 2]" 1
1218 1 103 GLU H 1 105 ALA H 5.030 . 5.530 4.057 3.971 4.127 . 0 0 "[ . 1 . 2]" 1
1219 1 100 ARG H 1 103 GLU H 4.950 . 5.450 4.645 4.354 4.766 . 0 0 "[ . 1 . 2]" 1
1220 1 100 ARG HA 1 103 GLU H 4.040 . 4.540 3.522 3.231 3.739 . 0 0 "[ . 1 . 2]" 1
1221 1 99 LYS HA 1 103 GLU H 4.440 . 4.940 3.732 3.623 3.938 . 0 0 "[ . 1 . 2]" 1
1222 1 103 GLU H 1 103 GLU QG 3.690 . 3.970 2.471 2.355 2.545 . 0 0 "[ . 1 . 2]" 1
1223 1 103 GLU H 1 103 GLU QB 3.470 . 3.970 2.335 2.287 2.391 . 0 0 "[ . 1 . 2]" 1
1224 1 102 ALA MB 1 103 GLU H 3.860 . 4.360 2.579 2.445 2.667 . 0 0 "[ . 1 . 2]" 1
1225 1 50 LEU QD 1 103 GLU H 7.410 . 7.710 4.324 4.105 4.889 . 0 0 "[ . 1 . 2]" 1
1226 1 107 ASP H 1 108 ALA MB 5.400 . 5.900 4.207 4.127 4.245 . 0 0 "[ . 1 . 2]" 1
1227 1 107 ASP H 1 109 MET H 4.280 . 4.780 4.077 4.034 4.113 . 0 0 "[ . 1 . 2]" 1
1228 1 107 ASP H 1 108 ALA HA 5.360 . 5.860 5.289 5.246 5.323 . 0 0 "[ . 1 . 2]" 1
1229 1 107 ASP H 1 107 ASP HB3 3.040 . 3.540 2.465 2.442 2.487 . 0 0 "[ . 1 . 2]" 1
1230 1 107 ASP H 1 107 ASP HB2 3.130 . 3.630 2.514 2.492 2.543 . 0 0 "[ . 1 . 2]" 1
1231 1 106 MET HG3 1 107 ASP H 3.950 . 4.450 2.738 2.559 2.942 . 0 0 "[ . 1 . 2]" 1
1232 1 106 MET HG2 1 107 ASP H 3.370 . 3.870 2.451 2.301 2.608 . 0 0 "[ . 1 . 2]" 1
1233 1 106 MET ME 1 107 ASP H 4.650 . 5.150 3.891 3.878 3.912 . 0 0 "[ . 1 . 2]" 1
1234 1 106 MET QB 1 107 ASP H 4.060 . 4.560 3.628 3.610 3.646 . 0 0 "[ . 1 . 2]" 1
1235 1 105 ALA MB 1 107 ASP H 5.400 . 5.900 4.512 4.484 4.520 . 0 0 "[ . 1 . 2]" 1
1236 1 68 PHE H 1 109 MET ME 5.560 . 6.060 4.457 4.298 4.608 . 0 0 "[ . 1 . 2]" 1
1237 1 81 ARG HA 1 88 SER H 4.320 . 4.820 3.681 2.768 4.380 . 0 0 "[ . 1 . 2]" 1
1238 1 87 GLU HA 1 88 SER H 3.410 . 3.910 3.211 2.928 3.468 . 0 0 "[ . 1 . 2]" 1
1239 1 86 LYS HA 1 88 SER H 3.770 . 4.270 3.520 3.179 3.855 . 0 0 "[ . 1 . 2]" 1
1240 1 87 GLU QG 1 88 SER H . . 4.970 3.511 2.892 4.160 . 0 0 "[ . 1 . 2]" 1
1241 1 87 GLU QB 1 88 SER H 4.980 . 5.480 3.897 2.934 4.086 . 0 0 "[ . 1 . 2]" 1
1242 1 79 ILE MG 1 88 SER H 6.610 . 7.110 5.347 4.790 5.575 . 0 0 "[ . 1 . 2]" 1
1243 1 68 PHE H 1 71 TYR QD 5.370 . 5.870 4.652 4.572 4.707 . 0 0 "[ . 1 . 2]" 1
1244 1 68 PHE H 1 74 VAL QG 5.760 . 6.260 3.617 3.240 3.913 . 0 0 "[ . 1 . 2]" 1
1245 1 68 PHE H 1 68 PHE QD 3.540 . 4.040 2.774 2.596 2.914 . 0 0 "[ . 1 . 2]" 1
1246 1 68 PHE H 1 68 PHE QE 6.150 . 6.650 4.994 4.767 5.092 . 0 0 "[ . 1 . 2]" 1
1247 1 64 LEU HA 1 68 PHE H 4.110 . 4.610 3.667 3.595 3.746 . 0 0 "[ . 1 . 2]" 1
1248 1 65 ARG HA 1 68 PHE H 4.350 . 4.850 4.077 3.870 4.346 . 0 0 "[ . 1 . 2]" 1
1249 1 68 PHE H 1 68 PHE HB3 3.610 . 4.110 3.560 3.531 3.597 . 0 0 "[ . 1 . 2]" 1
1250 1 68 PHE H 1 68 PHE HB2 3.470 . 3.970 2.296 2.244 2.352 . 0 0 "[ . 1 . 2]" 1
1251 1 66 ARG QB 1 68 PHE H 5.850 . 6.350 4.634 4.327 4.708 . 0 0 "[ . 1 . 2]" 1
1252 1 64 LEU HB3 1 68 PHE H 4.950 . 5.450 4.847 4.683 5.027 . 0 0 "[ . 1 . 2]" 1
1253 1 67 VAL QG 1 68 PHE H . . 5.270 2.821 2.240 3.222 . 0 0 "[ . 1 . 2]" 1
1254 1 81 ARG QD 1 88 SER H 5.590 . 6.090 3.559 2.195 4.529 . 0 0 "[ . 1 . 2]" 1
1255 1 68 PHE H 1 69 GLU HA 5.050 . 5.550 4.779 4.696 4.862 . 0 0 "[ . 1 . 2]" 1
1256 1 131 ASP HA 1 132 SER H 2.980 . 3.480 2.775 2.156 3.165 . 0 0 "[ . 1 . 2]" 1
1257 1 131 ASP QB 1 132 SER H 4.440 . 4.940 3.605 1.945 4.028 . 0 0 "[ . 1 . 2]" 1
1258 1 131 ASP H 1 132 SER H 4.390 . 4.890 3.010 1.791 4.388 0.009 2 0 "[ . 1 . 2]" 1
1259 1 66 ARG H 1 68 PHE HB2 5.270 . 5.770 5.384 5.254 5.443 . 0 0 "[ . 1 . 2]" 1
1260 1 78 TYR H 1 93 PHE H 4.210 . 4.710 3.187 2.816 4.191 . 0 0 "[ . 1 . 2]" 1
1261 1 91 PHE QE 1 93 PHE H 6.170 . 6.670 5.545 5.515 5.593 . 0 0 "[ . 1 . 2]" 1
1262 1 93 PHE H 1 93 PHE QD 4.880 . 5.380 4.379 4.359 4.405 . 0 0 "[ . 1 . 2]" 1
1263 1 92 ALA HA 1 93 PHE H 3.270 . 3.770 2.587 2.492 2.670 . 0 0 "[ . 1 . 2]" 1
1264 1 79 ILE HA 1 93 PHE H 3.980 . 4.480 3.394 3.073 3.811 . 0 0 "[ . 1 . 2]" 1
1265 1 80 PRO QD 1 93 PHE H 4.560 . 5.060 3.589 3.118 4.102 . 0 0 "[ . 1 . 2]" 1
1266 1 92 ALA MB 1 93 PHE H 4.080 . 4.580 2.029 1.895 2.147 . 0 0 "[ . 1 . 2]" 1
1267 1 64 LEU QD 1 93 PHE H 7.140 . 7.640 4.076 3.782 4.344 . 0 0 "[ . 1 . 2]" 1
1268 1 79 ILE MG 1 93 PHE H 6.610 . 7.110 4.802 4.489 5.106 . 0 0 "[ . 1 . 2]" 1
1269 1 93 PHE H 1 94 VAL QG 6.440 . 6.940 3.489 3.214 3.779 . 0 0 "[ . 1 . 2]" 1
1270 1 93 PHE H 1 94 VAL H 4.810 . 5.310 3.027 2.733 3.531 . 0 0 "[ . 1 . 2]" 1
1271 1 73 ARG H 1 74 VAL QG 6.810 . 7.310 4.826 4.300 5.132 . 0 0 "[ . 1 . 2]" 1
1272 1 63 THR HA 1 66 ARG H 3.930 . 4.430 3.532 3.373 3.791 . 0 0 "[ . 1 . 2]" 1
1273 1 65 ARG QD 1 66 ARG H 6.170 . 6.670 4.439 4.369 4.567 . 0 0 "[ . 1 . 2]" 1
1274 1 66 ARG H 1 66 ARG QD 5.100 . 5.600 4.418 4.324 4.567 . 0 0 "[ . 1 . 2]" 1
1275 1 65 ARG QB 1 66 ARG H 3.580 . 4.080 2.641 2.589 2.710 . 0 0 "[ . 1 . 2]" 1
1276 1 72 GLY QA 1 73 ARG H 3.550 . 4.050 2.298 2.131 2.598 . 0 0 "[ . 1 . 2]" 1
1277 1 73 ARG H 1 101 ASP HA 5.500 . 6.000 5.450 5.230 5.596 . 0 0 "[ . 1 . 2]" 1
1278 1 73 ARG H 1 101 ASP QB 5.370 . 5.870 3.120 2.748 3.686 . 0 0 "[ . 1 . 2]" 1
1279 1 73 ARG H 1 73 ARG QB 3.600 . 4.100 2.896 2.369 3.291 . 0 0 "[ . 1 . 2]" 1
1280 1 62 ASP H 1 63 THR MG 6.610 . 7.110 5.206 4.629 5.571 . 0 0 "[ . 1 . 2]" 1
1281 1 62 ASP HA 1 66 ARG H 5.020 . 5.520 4.474 4.282 4.708 . 0 0 "[ . 1 . 2]" 1
1282 1 62 ASP QB 1 66 ARG H 6.170 . 6.670 5.461 5.051 5.608 . 0 0 "[ . 1 . 2]" 1
1283 1 63 THR MG 1 66 ARG H 6.020 . 6.520 4.909 4.696 5.053 . 0 0 "[ . 1 . 2]" 1
1284 1 66 ARG H 1 67 VAL QG 5.470 . 5.970 3.702 3.252 4.003 . 0 0 "[ . 1 . 2]" 1
1285 1 76 ASP H 1 94 VAL HA 5.330 . 5.830 4.947 4.593 5.356 . 0 0 "[ . 1 . 2]" 1
1286 1 76 ASP H 1 96 PHE HA 4.500 . 5.000 3.874 3.465 4.382 . 0 0 "[ . 1 . 2]" 1
1287 1 74 VAL HA 1 76 ASP H 4.590 . 5.090 3.830 3.251 4.445 . 0 0 "[ . 1 . 2]" 1
1288 1 62 ASP H 1 63 THR H 3.280 . 3.780 2.445 2.348 2.613 . 0 0 "[ . 1 . 2]" 1
1289 1 62 ASP H 1 64 LEU H 4.720 . 5.220 4.133 4.015 4.433 . 0 0 "[ . 1 . 2]" 1
1290 1 60 SER HA 1 62 ASP H 4.740 . 5.240 4.160 3.982 4.349 . 0 0 "[ . 1 . 2]" 1
1291 1 60 SER QB 1 62 ASP H 3.740 . 4.240 2.649 2.362 3.197 . 0 0 "[ . 1 . 2]" 1
1292 1 62 ASP H 1 62 ASP QB 3.170 . 3.670 2.298 2.207 2.604 . 0 0 "[ . 1 . 2]" 1
1293 1 61 PRO QG 1 62 ASP H 4.300 . 4.800 2.699 2.405 2.833 . 0 0 "[ . 1 . 2]" 1
1294 1 62 ASP H 1 77 VAL QG 7.410 . 7.910 4.899 4.651 5.354 . 0 0 "[ . 1 . 2]" 1
1295 1 75 GLY H 1 76 ASP H 3.940 . 4.440 3.141 2.349 3.770 . 0 0 "[ . 1 . 2]" 1
1296 1 76 ASP H 1 77 VAL H 4.500 . 5.000 4.355 4.293 4.390 . 0 0 "[ . 1 . 2]" 1
1297 1 76 ASP H 1 95 ARG QG 4.940 . 5.440 4.055 2.477 4.454 . 0 0 "[ . 1 . 2]" 1
1298 1 76 ASP H 1 77 VAL QG 6.340 . 6.840 4.372 4.031 4.627 . 0 0 "[ . 1 . 2]" 1
1299 1 62 ASP H 1 64 LEU QD 7.410 . 7.910 5.107 4.842 5.397 . 0 0 "[ . 1 . 2]" 1
1300 1 74 VAL HB 1 75 GLY H 4.460 . 4.960 4.186 3.247 4.567 . 0 0 "[ . 1 . 2]" 1
1301 1 75 GLY H 1 96 PHE QD 5.670 . 6.170 4.543 3.822 5.049 . 0 0 "[ . 1 . 2]" 1
1302 1 75 GLY H 1 96 PHE HA 4.290 . 4.790 3.234 1.753 4.280 0.047 11 0 "[ . 1 . 2]" 1
1303 1 74 VAL HA 1 75 GLY H 3.470 . 3.970 2.886 2.244 3.467 . 0 0 "[ . 1 . 2]" 1
1304 1 73 ARG QG 1 75 GLY H 5.120 . 5.620 3.318 2.686 4.599 . 0 0 "[ . 1 . 2]" 1
1305 1 74 VAL H 1 75 GLY H 4.820 . 5.320 3.348 2.662 4.629 . 0 0 "[ . 1 . 2]" 1
1306 1 65 ARG HA 1 67 VAL H 5.370 . 5.870 4.884 4.747 5.070 . 0 0 "[ . 1 . 2]" 1
1307 1 67 VAL H 1 69 GLU H 4.070 . 4.570 3.960 3.891 3.996 . 0 0 "[ . 1 . 2]" 1
1308 1 67 VAL H 1 68 PHE H 3.400 . 3.900 2.733 2.648 2.784 . 0 0 "[ . 1 . 2]" 1
1309 1 64 LEU H 1 67 VAL H 5.040 . 5.540 4.738 4.653 4.842 . 0 0 "[ . 1 . 2]" 1
1310 1 64 LEU HA 1 67 VAL H 3.980 . 4.480 3.439 3.285 3.654 . 0 0 "[ . 1 . 2]" 1
1311 1 66 ARG QD 1 67 VAL H 4.910 . 5.410 4.386 3.971 4.422 . 0 0 "[ . 1 . 2]" 1
1312 1 67 VAL H 1 67 VAL HB 3.650 . 4.150 2.730 2.229 3.596 . 0 0 "[ . 1 . 2]" 1
1313 1 66 ARG QB 1 67 VAL H 3.890 . 4.390 2.504 2.091 2.553 . 0 0 "[ . 1 . 2]" 1
1314 1 65 ARG QG 1 67 VAL H 6.170 . 6.670 5.302 5.106 5.488 . 0 0 "[ . 1 . 2]" 1
1315 1 63 THR MG 1 67 VAL H 5.760 . 6.260 4.368 3.968 4.847 . 0 0 "[ . 1 . 2]" 1
1316 1 67 VAL H 1 68 PHE HB2 5.080 . 5.580 4.801 4.732 4.865 . 0 0 "[ . 1 . 2]" 1
1317 1 55 LEU H 1 56 THR H 4.560 . 5.060 4.596 4.455 4.649 . 0 0 "[ . 1 . 2]" 1
1318 1 55 LEU H 1 91 PHE HA 4.440 . 4.940 3.049 2.306 3.765 . 0 0 "[ . 1 . 2]" 1
1319 1 55 LEU H 1 91 PHE QB 5.890 . 6.390 4.017 3.297 4.829 . 0 0 "[ . 1 . 2]" 1
1320 1 55 LEU H 1 55 LEU HG 4.000 . 4.500 2.667 1.977 3.693 . 0 0 "[ . 1 . 2]" 1
1321 1 67 VAL H 1 68 PHE HA 5.500 . 6.000 5.364 5.291 5.395 . 0 0 "[ . 1 . 2]" 1
1322 1 54 ASN H 1 55 LEU H 3.710 . 4.210 2.798 2.140 3.485 . 0 0 "[ . 1 . 2]" 1
1323 1 53 ASP HA 1 55 LEU H 4.790 . 5.290 3.798 3.224 4.938 . 0 0 "[ . 1 . 2]" 1
1324 1 54 ASN HB3 1 55 LEU H 4.610 . 5.110 4.070 3.677 4.445 . 0 0 "[ . 1 . 2]" 1
1325 1 53 ASP QB 1 55 LEU H 5.740 . 6.240 4.548 4.255 5.119 . 0 0 "[ . 1 . 2]" 1
1326 1 54 ASN HB2 1 55 LEU H 5.420 . 5.920 4.503 4.229 4.715 . 0 0 "[ . 1 . 2]" 1
1327 1 69 GLU H 1 71 TYR H 4.470 . 4.970 4.285 4.176 4.394 . 0 0 "[ . 1 . 2]" 1
1328 1 71 TYR H 1 71 TYR QD 3.580 . 4.080 2.021 1.983 2.070 . 0 0 "[ . 1 . 2]" 1
1329 1 71 TYR H 1 96 PHE QE 5.400 . 5.900 4.079 3.757 4.357 . 0 0 "[ . 1 . 2]" 1
1330 1 71 TYR H 1 71 TYR QE 4.860 . 5.360 4.213 4.161 4.267 . 0 0 "[ . 1 . 2]" 1
1331 1 69 GLU HA 1 71 TYR H 4.270 . 4.770 3.883 3.691 4.095 . 0 0 "[ . 1 . 2]" 1
1332 1 68 PHE HA 1 71 TYR H 4.180 . 4.680 3.474 3.301 3.590 . 0 0 "[ . 1 . 2]" 1
1333 1 71 TYR H 1 71 TYR HB2 3.630 . 4.130 2.402 2.345 2.439 . 0 0 "[ . 1 . 2]" 1
1334 1 71 TYR H 1 71 TYR HB3 3.810 . 4.310 3.604 3.586 3.620 . 0 0 "[ . 1 . 2]" 1
1335 1 70 LYS HB3 1 71 TYR H 3.940 . 4.440 4.050 4.013 4.080 . 0 0 "[ . 1 . 2]" 1
1336 1 71 TYR H 1 105 ALA MB 6.580 . 7.080 5.242 5.145 5.367 . 0 0 "[ . 1 . 2]" 1
1337 1 70 LYS QG 1 71 TYR H 4.680 . 5.180 2.533 2.476 2.587 . 0 0 "[ . 1 . 2]" 1
1338 1 71 TYR H 1 74 VAL QG 7.410 . 7.910 4.900 4.437 5.448 . 0 0 "[ . 1 . 2]" 1
1339 1 71 TYR H 1 72 GLY QA 5.710 . 6.210 4.487 4.408 4.559 . 0 0 "[ . 1 . 2]" 1
1340 1 57 TYR H 1 58 ARG H 4.060 . 4.560 2.785 2.554 2.893 . 0 0 "[ . 1 . 2]" 1
1341 1 57 TYR QD 1 58 ARG H 4.780 . 5.280 4.013 3.475 4.174 . 0 0 "[ . 1 . 2]" 1
1342 1 58 ARG H 1 58 ARG HB3 3.940 . 4.440 3.751 3.614 3.786 . 0 0 "[ . 1 . 2]" 1
1343 1 58 ARG H 1 59 THR MG 6.610 . 7.110 5.248 5.168 5.492 . 0 0 "[ . 1 . 2]" 1
1344 1 56 THR H 1 58 ARG H 4.900 . 5.400 4.155 3.983 4.518 . 0 0 "[ . 1 . 2]" 1
1345 1 56 THR HB 1 58 ARG H 3.780 . 4.280 2.770 2.521 2.999 . 0 0 "[ . 1 . 2]" 1
1346 1 58 ARG H 1 59 THR HB 5.220 . 5.720 4.187 4.035 4.471 . 0 0 "[ . 1 . 2]" 1
1347 1 58 ARG H 1 58 ARG QD 4.360 . 4.860 3.712 1.986 3.941 . 0 0 "[ . 1 . 2]" 1
1348 1 58 ARG H 1 58 ARG HB2 3.450 . 3.950 2.581 2.371 2.730 . 0 0 "[ . 1 . 2]" 1
1349 1 56 THR MG 1 58 ARG H 5.080 . 5.580 3.923 3.780 3.994 . 0 0 "[ . 1 . 2]" 1
1350 1 84 TYR HA 1 86 LYS H 5.060 . 5.560 4.634 4.425 4.913 . 0 0 "[ . 1 . 2]" 1
1351 1 82 ASP QB 1 86 LYS H 4.660 . 4.660 2.427 1.729 3.199 0.071 1 0 "[ . 1 . 2]" 1
1352 1 82 ASP HA 1 86 LYS H 4.860 . 5.360 4.660 4.453 4.946 . 0 0 "[ . 1 . 2]" 1
1353 1 83 ARG HA 1 86 LYS H 4.870 . 5.370 4.402 3.901 4.836 . 0 0 "[ . 1 . 2]" 1
1354 1 85 THR H 1 86 LYS H 3.540 . 4.040 1.741 1.666 1.788 0.134 1 0 "[ . 1 . 2]" 1
1355 1 86 LYS H 1 87 GLU H 3.530 . 4.030 3.165 2.974 3.415 . 0 0 "[ . 1 . 2]" 1
1356 1 81 ARG QG 1 86 LYS H 5.630 . 6.130 4.196 3.712 5.111 . 0 0 "[ . 1 . 2]" 1
1357 1 85 THR MG 1 86 LYS H 5.440 . 5.940 3.989 3.728 4.163 . 0 0 "[ . 1 . 2]" 1
1358 1 82 ASP H 1 86 LYS H 4.350 . 4.850 3.812 2.814 4.360 . 0 0 "[ . 1 . 2]" 1
1359 1 86 LYS H 1 87 GLU QB 6.170 . 6.670 5.075 4.941 5.230 . 0 0 "[ . 1 . 2]" 1
1360 1 91 PHE H 1 92 ALA H 4.320 . 4.820 4.374 4.349 4.392 . 0 0 "[ . 1 . 2]" 1
1361 1 91 PHE H 1 91 PHE QD 4.010 . 4.510 2.638 2.331 3.053 . 0 0 "[ . 1 . 2]" 1
1362 1 89 ARG HA 1 91 PHE H 4.910 . 5.410 3.315 3.072 3.595 . 0 0 "[ . 1 . 2]" 1
1363 1 79 ILE QG 1 91 PHE H 6.170 . 6.670 5.183 4.911 5.358 . 0 0 "[ . 1 . 2]" 1
1364 1 79 ILE MG 1 91 PHE H 5.040 . 5.540 3.656 3.401 3.870 . 0 0 "[ . 1 . 2]" 1
1365 1 55 LEU QD 1 91 PHE H 5.500 . 6.000 3.196 2.565 3.935 . 0 0 "[ . 1 . 2]" 1
1366 1 90 GLY H 1 91 PHE H 3.460 . 3.960 2.757 1.743 3.014 0.057 2 0 "[ . 1 . 2]" 1
1367 1 91 PHE H 1 91 PHE QE 5.740 . 6.240 4.346 4.226 4.542 . 0 0 "[ . 1 . 2]" 1
1368 1 89 ARG QG 1 91 PHE H 5.980 . 6.480 4.536 3.921 5.335 . 0 0 "[ . 1 . 2]" 1
1369 1 107 ASP HA 1 109 MET H 5.120 . 5.620 4.569 4.498 4.674 . 0 0 "[ . 1 . 2]" 1
1370 1 106 MET HA 1 109 MET H 4.120 . 4.620 2.945 2.889 2.997 . 0 0 "[ . 1 . 2]" 1
1371 1 109 MET H 1 109 MET QG 4.280 . 4.780 2.948 2.813 3.098 . 0 0 "[ . 1 . 2]" 1
1372 1 108 ALA MB 1 109 MET H 3.690 . 4.190 3.141 3.114 3.167 . 0 0 "[ . 1 . 2]" 1
1373 1 122 GLN H 1 122 GLN QE 5.410 . 5.910 2.894 2.486 3.307 . 0 0 "[ . 1 . 2]" 1
1374 1 52 VAL HA 1 122 GLN QE 4.550 . 5.050 3.791 3.425 4.102 . 0 0 "[ . 1 . 2]" 1
1375 1 120 ARG QD 1 122 GLN QE 6.200 . 6.700 4.425 3.229 4.794 . 0 0 "[ . 1 . 2]" 1
1376 1 121 VAL QG 1 122 GLN QE 8.320 . 8.820 4.194 3.884 4.465 . 0 0 "[ . 1 . 2]" 1
1377 1 71 TYR QE 1 109 MET H 5.170 . 5.670 4.661 4.640 4.680 . 0 0 "[ . 1 . 2]" 1
1378 1 109 MET H 1 110 ASP QB 5.120 . 5.620 3.962 3.889 4.027 . 0 0 "[ . 1 . 2]" 1
1379 1 105 ALA HA 1 109 MET H 4.550 . 5.050 4.329 4.252 4.404 . 0 0 "[ . 1 . 2]" 1
1380 1 105 ALA MB 1 109 MET H 6.000 . 6.500 4.850 4.724 4.893 . 0 0 "[ . 1 . 2]" 1
1381 1 54 ASN H 1 91 PHE HA 4.680 . 5.180 3.042 2.167 3.803 . 0 0 "[ . 1 . 2]" 1
1382 1 56 THR H 1 115 ASP QB 6.150 . 6.650 5.352 4.560 5.550 . 0 0 "[ . 1 . 2]" 1
1383 1 54 ASN QD 1 55 LEU H 5.780 . 6.280 4.862 3.987 5.228 . 0 0 "[ . 1 . 2]" 1
1384 1 54 ASN QD 1 117 ARG HG3 5.530 . 6.010 3.651 2.845 4.769 . 0 0 "[ . 1 . 2]" 1
1385 1 54 ASN QD 1 119 LEU HA 5.220 . 5.720 3.104 2.870 3.800 . 0 0 "[ . 1 . 2]" 1
1386 1 54 ASN QD 1 117 ARG QD 5.340 . 5.840 2.949 2.248 4.182 . 0 0 "[ . 1 . 2]" 1
1387 1 54 ASN QD 1 118 GLU HB2 4.110 . 4.610 2.432 2.126 2.749 . 0 0 "[ . 1 . 2]" 1
1388 1 54 ASN QD 1 119 LEU QD . . 7.250 3.449 3.176 4.481 . 0 0 "[ . 1 . 2]" 1
1389 1 54 ASN QD 1 117 ARG QB 5.010 . 5.510 3.332 2.929 3.858 . 0 0 "[ . 1 . 2]" 1
1390 1 54 ASN QD 1 118 GLU HB3 4.940 . 5.440 3.422 3.015 3.776 . 0 0 "[ . 1 . 2]" 1
1391 1 56 THR H 1 59 THR HB 4.300 . 4.800 3.137 2.144 3.683 . 0 0 "[ . 1 . 2]" 1
1392 1 55 LEU HA 1 56 THR H 2.960 . 3.460 2.539 2.415 2.639 . 0 0 "[ . 1 . 2]" 1
1393 1 56 THR H 1 58 ARG HB2 5.500 . 6.000 5.539 5.504 5.585 . 0 0 "[ . 1 . 2]" 1
1394 1 56 THR H 1 117 ARG HG3 5.500 . 6.000 5.296 4.864 5.573 . 0 0 "[ . 1 . 2]" 1
1395 1 55 LEU HG 1 56 THR H 5.500 . 6.000 4.425 3.600 4.825 . 0 0 "[ . 1 . 2]" 1
1396 1 56 THR H 1 114 LEU HG 5.500 . 6.000 4.262 2.700 5.599 . 0 0 "[ . 1 . 2]" 1
1397 1 56 THR H 1 117 ARG HG2 5.500 . 6.000 4.961 4.515 5.514 . 0 0 "[ . 1 . 2]" 1
1398 1 56 THR H 1 56 THR MG 3.570 . 4.070 2.117 1.962 2.680 . 0 0 "[ . 1 . 2]" 1
1399 1 56 THR H 1 59 THR MG 5.630 . 6.130 3.730 3.323 4.163 . 0 0 "[ . 1 . 2]" 1
1400 1 55 LEU QD 1 56 THR H 4.540 . 5.040 3.057 2.246 3.287 . 0 0 "[ . 1 . 2]" 1
1401 1 54 ASN QD 1 120 ARG H 5.890 . 6.390 4.726 4.556 4.888 . 0 0 "[ . 1 . 2]" 1
1402 1 81 ARG HE 1 86 LYS HA 5.360 . 5.860 3.872 3.027 5.379 . 0 0 "[ . 1 . 2]" 1
1403 1 79 ILE MG 1 81 ARG HE 6.040 . 6.540 3.937 2.949 5.093 . 0 0 "[ . 1 . 2]" 1
1404 1 100 ARG H 1 100 ARG HE 4.950 . 5.450 3.415 2.750 5.005 . 0 0 "[ . 1 . 2]" 1
1405 1 100 ARG HA 1 100 ARG HE 4.840 . 5.340 4.712 4.381 4.860 . 0 0 "[ . 1 . 2]" 1
1406 1 100 ARG QB 1 100 ARG HE 4.110 . 4.610 2.420 1.965 2.694 . 0 0 "[ . 1 . 2]" 1
1407 1 85 THR H 1 85 THR HB 4.040 . 4.540 3.860 3.823 3.906 . 0 0 "[ . 1 . 2]" 1
1408 1 85 THR H 1 86 LYS HA 4.220 . 4.720 3.900 3.810 4.001 . 0 0 "[ . 1 . 2]" 1
1409 1 82 ASP QB 1 85 THR H 4.530 . 5.030 2.610 2.002 3.195 . 0 0 "[ . 1 . 2]" 1
1410 1 85 THR H 1 85 THR MG 3.820 . 4.320 2.779 2.618 2.945 . 0 0 "[ . 1 . 2]" 1
1411 1 58 ARG HB3 1 58 ARG HE 4.980 . 5.480 2.964 2.147 4.989 . 0 0 "[ . 1 . 2]" 1
1412 1 58 ARG HB2 1 58 ARG HE 4.710 . 5.210 4.019 3.620 4.749 . 0 0 "[ . 1 . 2]" 1
1413 1 120 ARG HA 1 120 ARG HE 4.670 . 5.170 4.346 2.076 4.717 . 0 0 "[ . 1 . 2]" 1
1414 1 54 ASN HB2 1 120 ARG HE 5.500 . 6.000 5.104 3.090 5.541 . 0 0 "[ . 1 . 2]" 1
1415 1 120 ARG HB2 1 120 ARG HE 4.790 . 5.290 4.551 2.182 4.928 . 0 0 "[ . 1 . 2]" 1
1416 1 37 TYR HA 1 38 GLY H 2.870 . 3.370 2.602 2.362 2.956 . 0 0 "[ . 1 . 2]" 1
1417 1 128 ARG QB 1 128 ARG HE 4.640 . 5.140 3.000 2.162 4.135 . 0 0 "[ . 1 . 2]" 1
1418 1 38 GLY H 1 39 ARG H 4.470 . 4.970 4.277 1.773 4.589 0.027 6 0 "[ . 1 . 2]" 1
1419 1 37 TYR QD 1 38 GLY H 5.330 . 5.830 3.899 3.583 4.819 . 0 0 "[ . 1 . 2]" 1
1420 1 37 TYR QB 1 38 GLY H 4.640 . 5.140 2.301 1.780 3.889 0.020 1 0 "[ . 1 . 2]" 1
1421 1 126 TYR QD 1 127 GLY H 5.220 . 5.720 3.932 3.716 4.099 . 0 0 "[ . 1 . 2]" 1
1422 1 126 TYR HA 1 127 GLY H 3.450 . 3.950 2.610 2.411 2.916 . 0 0 "[ . 1 . 2]" 1
1423 1 126 TYR QB 1 127 GLY H 4.570 . 5.070 2.115 1.857 2.456 . 0 0 "[ . 1 . 2]" 1
1424 1 117 ARG HA 1 117 ARG HE 5.500 . 6.000 4.818 4.493 5.833 . 0 0 "[ . 1 . 2]" 1
1425 1 56 THR MG 1 117 ARG HE 5.500 . 6.000 2.999 2.017 4.418 . 0 0 "[ . 1 . 2]" 1
1426 1 127 GLY H 1 128 ARG QB 6.030 . 6.530 4.752 4.345 5.309 . 0 0 "[ . 1 . 2]" 1
1427 1 65 ARG HA 1 65 ARG HE 5.430 . 5.930 4.437 4.221 4.889 . 0 0 "[ . 1 . 2]" 1
1428 1 65 ARG HE 1 77 VAL QG 6.790 . 7.290 4.631 3.452 5.103 . 0 0 "[ . 1 . 2]" 1
1429 1 44 VAL HB 1 46 GLY H 5.500 . 6.000 5.192 4.865 5.460 . 0 0 "[ . 1 . 2]" 1
1430 1 46 GLY H 1 47 MET QB . . 5.800 3.719 2.885 4.130 . 0 0 "[ . 1 . 2]" 1
1431 1 46 GLY H 1 47 MET H 3.770 . 4.270 2.171 1.776 2.550 0.024 1 0 "[ . 1 . 2]" 1
1432 1 43 ASP HA 1 46 GLY H 5.230 . 5.730 4.076 3.558 5.225 . 0 0 "[ . 1 . 2]" 1
1433 1 45 GLU QB 1 46 GLY H 4.060 . 4.560 3.506 3.254 3.781 . 0 0 "[ . 1 . 2]" 1
1434 1 44 VAL QG 1 46 GLY H 7.050 . 7.550 4.150 3.868 4.497 . 0 0 "[ . 1 . 2]" 1
1435 1 45 GLU H 1 46 GLY H 3.770 . 4.270 2.502 1.998 2.709 . 0 0 "[ . 1 . 2]" 1
1436 1 44 VAL HA 1 46 GLY H 4.000 . 4.500 3.408 3.224 3.796 . 0 0 "[ . 1 . 2]" 1
1437 1 45 GLU QG 1 46 GLY H 4.700 . 5.200 4.033 2.798 4.267 . 0 0 "[ . 1 . 2]" 1
1438 1 81 ARG QD 1 90 GLY H 6.170 . 6.670 5.243 4.400 5.572 . 0 0 "[ . 1 . 2]" 1
1439 1 89 ARG QD 1 90 GLY H 6.170 . 6.670 5.366 3.918 5.606 . 0 0 "[ . 1 . 2]" 1
1440 1 90 GLY H 1 91 PHE QD 5.310 . 5.810 3.459 3.124 3.804 . 0 0 "[ . 1 . 2]" 1
1441 1 88 SER QB 1 90 GLY H 5.510 . 6.010 3.860 3.456 4.263 . 0 0 "[ . 1 . 2]" 1
1442 1 89 ARG QB 1 90 GLY H 5.420 . 5.920 3.707 3.257 4.080 . 0 0 "[ . 1 . 2]" 1
1443 1 51 LYS QG 1 52 VAL H 5.050 . 5.550 2.627 2.067 3.914 . 0 0 "[ . 1 . 2]" 1
1444 1 53 ASP H 1 54 ASN H 4.680 . 5.180 4.373 4.300 4.411 . 0 0 "[ . 1 . 2]" 1
1445 1 56 THR HB 1 59 THR H 4.950 . 5.450 3.949 3.736 4.111 . 0 0 "[ . 1 . 2]" 1
1446 1 57 TYR HA 1 59 THR H 5.170 . 5.670 4.132 3.885 4.337 . 0 0 "[ . 1 . 2]" 1
1447 1 73 ARG H 1 96 PHE QE 5.790 . 6.290 3.483 2.302 4.691 . 0 0 "[ . 1 . 2]" 1
1448 1 65 ARG H 1 94 VAL QG 7.410 . 7.910 4.245 3.976 4.425 . 0 0 "[ . 1 . 2]" 1
1449 1 101 ASP QB 1 102 ALA H 4.490 . 4.990 2.852 2.718 3.718 . 0 0 "[ . 1 . 2]" 1
1450 1 101 ASP H 1 104 ASP H 5.070 . 5.570 4.950 4.740 5.062 . 0 0 "[ . 1 . 2]" 1
1451 1 120 ARG HB3 1 121 VAL H 4.370 . 4.870 3.034 2.650 3.261 . 0 0 "[ . 1 . 2]" 1
1452 1 92 ALA H 1 93 PHE H 4.590 . 5.090 4.366 4.331 4.422 . 0 0 "[ . 1 . 2]" 1
1453 1 126 TYR HA 1 126 TYR QD 4.100 . 4.600 2.416 2.166 2.858 . 0 0 "[ . 1 . 2]" 1
1454 1 84 TYR QD 1 85 THR H 4.790 . 5.290 4.193 3.913 4.296 . 0 0 "[ . 1 . 2]" 1
1455 1 84 TYR H 1 84 TYR QD 4.120 . 4.620 3.181 2.937 3.312 . 0 0 "[ . 1 . 2]" 1
1456 1 84 TYR HA 1 84 TYR QD 3.460 . 3.960 2.830 2.722 3.001 . 0 0 "[ . 1 . 2]" 1
1457 1 37 TYR HA 1 37 TYR QD 3.560 . 4.060 2.812 2.213 3.195 . 0 0 "[ . 1 . 2]" 1
1458 1 36 SER HA 1 37 TYR QD 5.670 . 6.170 4.222 2.627 4.973 . 0 0 "[ . 1 . 2]" 1
1459 1 36 SER QB 1 37 TYR QD 5.640 . 6.140 3.599 2.543 4.558 . 0 0 "[ . 1 . 2]" 1
1460 1 68 PHE HA 1 71 TYR QD 3.920 . 4.420 2.017 1.939 2.101 . 0 0 "[ . 1 . 2]" 1
1461 1 71 TYR QD 1 109 MET ME 5.880 . 6.380 3.440 3.367 3.525 . 0 0 "[ . 1 . 2]" 1
1462 1 57 TYR QD 1 58 ARG QD 4.720 . 5.220 2.731 2.438 3.696 . 0 0 "[ . 1 . 2]" 1
1463 1 56 THR MG 1 57 TYR QD 6.540 . 7.040 4.552 4.415 4.863 . 0 0 "[ . 1 . 2]" 1
1464 1 57 TYR QD 1 58 ARG QG . . 6.710 2.960 2.670 3.385 . 0 0 "[ . 1 . 2]" 1
1465 1 54 ASN H 1 91 PHE QD 6.060 . 6.560 4.238 3.436 5.086 . 0 0 "[ . 1 . 2]" 1
1466 1 68 PHE QD 1 69 GLU H 5.440 . 5.940 4.646 4.589 4.713 . 0 0 "[ . 1 . 2]" 1
1467 1 64 LEU HB3 1 68 PHE QD 3.960 . 4.460 2.892 2.732 2.969 . 0 0 "[ . 1 . 2]" 1
1468 1 73 ARG H 1 96 PHE QD 5.170 . 5.670 3.315 2.392 4.591 . 0 0 "[ . 1 . 2]" 1
1469 1 96 PHE QD 1 102 ALA H 5.220 . 5.720 4.562 3.958 4.665 . 0 0 "[ . 1 . 2]" 1
1470 1 72 GLY QA 1 96 PHE QD 5.480 . 5.980 4.014 3.269 4.418 . 0 0 "[ . 1 . 2]" 1
1471 1 96 PHE QD 1 101 ASP QB 5.460 . 5.800 2.454 2.118 2.955 . 0 0 "[ . 1 . 2]" 1
1472 1 96 PHE QD 1 105 ALA MB 6.310 . 6.810 3.589 3.460 3.738 . 0 0 "[ . 1 . 2]" 1
1473 1 95 ARG HA 1 96 PHE QD 5.290 . 5.790 3.193 2.688 3.690 . 0 0 "[ . 1 . 2]" 1
1474 1 51 LYS HA 1 93 PHE QD 4.730 . 5.230 3.015 2.496 3.812 . 0 0 "[ . 1 . 2]" 1
1475 1 78 TYR H 1 78 TYR QD 5.220 . 5.720 4.413 3.971 4.472 . 0 0 "[ . 1 . 2]" 1
1476 1 72 GLY QA 1 96 PHE QE 5.590 . 6.090 3.628 3.001 4.109 . 0 0 "[ . 1 . 2]" 1
1477 1 68 PHE HB3 1 96 PHE QE 5.200 . 5.700 3.114 2.824 3.294 . 0 0 "[ . 1 . 2]" 1
1478 1 96 PHE QE 1 101 ASP QB 6.220 . 6.720 3.104 2.684 3.332 . 0 0 "[ . 1 . 2]" 1
1479 1 51 LYS HB2 1 93 PHE QD 4.420 . 4.920 2.899 2.316 3.201 . 0 0 "[ . 1 . 2]" 1
1480 1 91 PHE QE 1 93 PHE QD 5.410 . 5.910 3.945 2.932 4.316 . 0 0 "[ . 1 . 2]" 1
1481 1 68 PHE QE 1 109 MET HA 6.170 . 6.670 5.333 5.019 5.452 . 0 0 "[ . 1 . 2]" 1
1482 1 68 PHE QE 1 106 MET HA 6.020 . 6.520 5.101 4.858 5.285 . 0 0 "[ . 1 . 2]" 1
1483 1 52 VAL MG1 1 68 PHE QE 4.310 . 4.810 2.675 2.611 2.742 . 0 0 "[ . 1 . 2]" 1
1484 1 68 PHE QD 1 96 PHE HZ 4.340 . 4.840 2.087 1.981 2.337 . 0 0 "[ . 1 . 2]" 1
1485 1 50 LEU QD 1 96 PHE HZ 5.990 . 6.490 4.435 4.276 4.496 . 0 0 "[ . 1 . 2]" 1
1486 1 52 VAL MG1 1 68 PHE HZ 4.100 . 4.600 2.265 2.179 2.362 . 0 0 "[ . 1 . 2]" 1
1487 1 68 PHE HZ 1 94 VAL QG 6.540 . 7.040 4.523 4.176 4.825 . 0 0 "[ . 1 . 2]" 1
1488 1 97 HIS H 1 97 HIS HD2 4.310 . 4.810 3.242 2.023 4.106 . 0 0 "[ . 1 . 2]" 1
1489 1 96 PHE HA 1 97 HIS HD2 5.030 . 5.530 3.793 2.696 5.042 . 0 0 "[ . 1 . 2]" 1
1490 1 75 GLY QA 1 97 HIS HD2 4.290 . 4.790 2.129 1.967 2.427 . 0 0 "[ . 1 . 2]" 1
1491 1 73 ARG QD 1 97 HIS HD2 4.770 . 5.270 4.158 3.343 4.305 . 0 0 "[ . 1 . 2]" 1
1492 1 75 GLY H 1 97 HIS HD2 4.560 . 5.060 3.739 2.549 4.571 . 0 0 "[ . 1 . 2]" 1
1493 1 71 TYR QE 1 109 MET QB 6.480 . 6.980 4.873 4.781 4.972 . 0 0 "[ . 1 . 2]" 1
1494 1 84 TYR QE 1 85 THR MG 7.410 . 7.910 5.569 5.544 5.612 . 0 0 "[ . 1 . 2]" 1
1495 1 83 ARG QG 1 84 TYR QE 5.730 . 6.230 3.224 2.557 4.549 . 0 0 "[ . 1 . 2]" 1
1496 1 125 ARG QB 1 126 TYR QE 6.110 . 6.610 3.832 2.668 4.485 . 0 0 "[ . 1 . 2]" 1
1497 1 78 TYR QE 1 80 PRO HA 5.390 . 5.890 2.392 2.005 2.785 . 0 0 "[ . 1 . 2]" 1
1498 1 52 VAL HB 1 96 PHE QE 5.370 . 5.870 4.775 4.416 4.882 . 0 0 "[ . 1 . 2]" 1
1499 1 55 LEU QD 1 91 PHE QD 7.520 . 8.020 4.280 3.754 4.866 . 0 0 "[ . 1 . 2]" 1
1500 1 64 LEU HB3 1 68 PHE HZ 5.500 . 6.000 5.501 5.325 5.569 . 0 0 "[ . 1 . 2]" 1
1501 1 68 PHE HZ 1 105 ALA MB 6.610 . 7.110 5.356 5.094 5.462 . 0 0 "[ . 1 . 2]" 1
1502 2 1 U H1' 2 1 U H2' 4.000 . 4.500 2.940 2.747 3.043 . 0 0 "[ . 1 . 2]" 1
1503 2 1 U H1' 2 1 U H3' 5.000 . 5.500 3.751 3.636 3.876 . 0 0 "[ . 1 . 2]" 1
1504 2 1 U H1' 2 1 U H4' 4.000 . 4.500 2.924 2.738 3.184 . 0 0 "[ . 1 . 2]" 1
1505 2 1 U H1' 2 1 U Q5' 6.170 . 6.670 4.100 3.971 4.294 . 0 0 "[ . 1 . 2]" 1
1506 2 1 U H1' 2 1 U H5 4.500 . 5.000 4.499 4.472 4.550 . 0 0 "[ . 1 . 2]" 1
1507 2 1 U H2' 2 1 U H3' 3.500 . 4.000 2.397 2.343 2.448 . 0 0 "[ . 1 . 2]" 1
1508 2 1 U H3' 2 1 U H4' 4.000 . 4.500 2.926 2.797 3.041 . 0 0 "[ . 1 . 2]" 1
1509 2 1 U H1' 2 1 U H6 3.000 . 3.500 2.190 2.130 2.344 . 0 0 "[ . 1 . 2]" 1
1510 2 1 U H2' 2 1 U H6 4.000 . 4.500 3.870 2.544 4.089 . 0 0 "[ . 1 . 2]" 1
1511 2 1 U H3' 2 1 U H6 5.500 . 6.000 5.318 4.386 5.492 . 0 0 "[ . 1 . 2]" 1
1512 2 1 U H4' 2 1 U H6 5.000 . 5.500 5.060 4.852 5.153 . 0 0 "[ . 1 . 2]" 1
1513 2 1 U Q5' 2 1 U H6 6.170 . 6.670 5.613 5.552 5.725 . 0 0 "[ . 1 . 2]" 1
1514 2 1 U H5 2 1 U H6 2.500 . 3.000 2.450 2.433 2.469 . 0 0 "[ . 1 . 2]" 1
1515 2 1 U H3' 2 1 U Q5' 5.050 . 5.550 2.357 2.144 2.979 . 0 0 "[ . 1 . 2]" 1
1516 2 1 U H4' 2 1 U Q5' 3.930 . 4.430 2.395 2.177 2.484 . 0 0 "[ . 1 . 2]" 1
1517 2 2 C H1' 2 2 C H2' 4.000 . 4.500 3.007 2.974 3.037 . 0 0 "[ . 1 . 2]" 1
1518 2 2 C H1' 2 2 C H3' 5.000 . 5.500 3.903 3.796 3.988 . 0 0 "[ . 1 . 2]" 1
1519 2 2 C H1' 2 2 C H4' 4.500 . 5.000 3.450 3.148 3.639 . 0 0 "[ . 1 . 2]" 1
1520 2 2 C H1' 2 2 C H6 5.000 . 5.500 3.719 3.702 3.736 . 0 0 "[ . 1 . 2]" 1
1521 2 2 C H2' 2 2 C H3' 3.500 . 4.000 2.344 2.278 2.414 . 0 0 "[ . 1 . 2]" 1
1522 2 2 C H2' 2 2 C H5 4.000 . 4.500 4.118 4.063 4.197 . 0 0 "[ . 1 . 2]" 1
1523 2 2 C H2' 2 2 C H6 3.000 . 3.500 1.897 1.810 2.111 . 0 0 "[ . 1 . 2]" 1
1524 2 2 C H3' 2 2 C H6 4.500 . 5.000 3.811 3.556 4.009 . 0 0 "[ . 1 . 2]" 1
1525 2 2 C H3' 2 2 C Q5' 5.050 . 5.550 2.495 2.175 2.740 . 0 0 "[ . 1 . 2]" 1
1526 2 2 C H5 2 2 C H6 2.500 . 3.000 2.390 2.376 2.407 . 0 0 "[ . 1 . 2]" 1
1527 2 2 C H1' 2 3 C H5 3.000 . 3.500 3.109 3.055 3.190 . 0 0 "[ . 1 . 2]" 1
1528 2 2 C H1' 2 3 C H6 4.500 . 5.000 4.106 3.689 4.348 . 0 0 "[ . 1 . 2]" 1
1529 2 3 C H1' 2 3 C H2' 4.500 . 5.000 2.760 2.732 2.803 . 0 0 "[ . 1 . 2]" 1
1530 2 3 C H1' 2 3 C H3' 5.000 . 5.500 3.799 3.770 3.835 . 0 0 "[ . 1 . 2]" 1
1531 2 3 C H1' 2 3 C H4' 5.000 . 5.500 3.228 3.106 3.430 . 0 0 "[ . 1 . 2]" 1
1532 2 3 C H1' 2 3 C Q5' 5.610 . 6.110 4.362 4.258 4.449 . 0 0 "[ . 1 . 2]" 1
1533 2 3 C H1' 2 3 C H5 5.500 . 6.000 5.434 5.404 5.451 . 0 0 "[ . 1 . 2]" 1
1534 2 3 C H1' 2 3 C H6 5.000 . 5.500 3.683 3.653 3.705 . 0 0 "[ . 1 . 2]" 1
1535 2 3 C H2' 2 3 C H5 4.500 . 5.000 4.625 4.581 4.690 . 0 0 "[ . 1 . 2]" 1
1536 2 3 C H2' 2 3 C H6 3.000 . 3.500 3.108 3.060 3.167 . 0 0 "[ . 1 . 2]" 1
1537 2 3 C H3' 2 3 C H6 4.000 . 4.500 2.071 1.917 2.273 . 0 0 "[ . 1 . 2]" 1
1538 2 3 C H3' 2 3 C Q5' 5.610 . 6.110 2.624 2.125 2.847 . 0 0 "[ . 1 . 2]" 1
1539 2 3 C H4' 2 3 C H6 5.000 . 5.500 3.916 3.839 4.004 . 0 0 "[ . 1 . 2]" 1
1540 2 3 C H4' 2 3 C Q5' 5.050 . 5.550 2.218 2.169 2.375 . 0 0 "[ . 1 . 2]" 1
1541 2 3 C H5 2 3 C H6 2.500 . 3.000 2.423 2.402 2.438 . 0 0 "[ . 1 . 2]" 1
1542 2 3 C H3' 2 4 A H8 5.000 . 5.500 3.648 3.397 3.946 . 0 0 "[ . 1 . 2]" 1
1543 2 3 C H2' 2 4 A H8 5.500 . 6.000 4.958 4.782 5.520 . 0 0 "[ . 1 . 2]" 1
1544 2 3 C H3' 2 4 A H2' 4.500 . 5.000 4.501 4.257 4.613 . 0 0 "[ . 1 . 2]" 1
1545 2 4 A H1' 2 4 A H2' 3.500 . 4.000 3.056 3.036 3.069 . 0 0 "[ . 1 . 2]" 1
1546 2 4 A H1' 2 4 A H3' 5.000 . 5.500 3.702 3.639 3.810 . 0 0 "[ . 1 . 2]" 1
1547 2 4 A H1' 2 4 A H4' 5.500 . 6.000 2.658 2.512 2.860 . 0 0 "[ . 1 . 2]" 1
1548 2 4 A H1' 2 4 A Q5' 6.170 . 6.670 4.075 3.994 4.149 . 0 0 "[ . 1 . 2]" 1
1549 2 4 A H1' 2 4 A H2 5.500 . 6.000 4.508 4.413 4.609 . 0 0 "[ . 1 . 2]" 1
1550 2 4 A H1' 2 4 A H8 4.000 . 4.500 3.813 3.723 3.857 . 0 0 "[ . 1 . 2]" 1
1551 2 4 A H2' 2 4 A H4' 5.000 . 5.500 3.768 3.730 3.800 . 0 0 "[ . 1 . 2]" 1
1552 2 4 A H2' 2 4 A Q5' 5.050 . 5.550 3.766 3.529 3.921 . 0 0 "[ . 1 . 2]" 1
1553 2 4 A H2' 2 4 A H8 3.500 . 4.000 2.235 2.101 2.455 . 0 0 "[ . 1 . 2]" 1
1554 2 4 A H3' 2 4 A H4' 4.500 . 5.000 2.885 2.824 2.928 . 0 0 "[ . 1 . 2]" 1
1555 2 4 A H3' 2 4 A Q5' 5.050 . 5.550 2.484 2.389 2.614 . 0 0 "[ . 1 . 2]" 1
1556 2 4 A H3' 2 4 A H8 5.000 . 5.500 4.479 4.253 4.663 . 0 0 "[ . 1 . 2]" 1
1557 2 4 A H4' 2 4 A H8 5.500 . 6.000 5.152 5.007 5.272 . 0 0 "[ . 1 . 2]" 1
1558 2 4 A Q5' 2 4 A H8 5.610 . 6.110 4.902 4.663 5.022 . 0 0 "[ . 1 . 2]" 1
1559 2 4 A H2' 2 5 G H8 4.500 . 5.000 4.589 4.545 4.641 . 0 0 "[ . 1 . 2]" 1
1560 2 4 A H3' 2 5 G H8 4.500 . 5.000 2.606 2.389 2.807 . 0 0 "[ . 1 . 2]" 1
1561 2 4 A H4' 2 5 G H8 5.000 . 5.500 4.829 4.533 5.159 . 0 0 "[ . 1 . 2]" 1
1562 2 5 G H1' 2 5 G H2' 3.500 . 4.000 2.880 2.754 3.017 . 0 0 "[ . 1 . 2]" 1
1563 2 5 G H1' 2 5 G H3' 4.500 . 5.000 3.944 3.801 4.075 . 0 0 "[ . 1 . 2]" 1
1564 2 5 G H1' 2 5 G H4' 4.000 . 4.500 3.458 3.100 3.857 . 0 0 "[ . 1 . 2]" 1
1565 2 5 G H1' 2 5 G H8 4.500 . 5.000 3.901 3.850 3.933 . 0 0 "[ . 1 . 2]" 1
1566 2 5 G H2' 2 5 G H8 3.000 . 3.500 2.565 2.087 3.113 . 0 0 "[ . 1 . 2]" 1
1567 2 5 G H3' 2 5 G H8 3.500 . 4.000 3.131 2.063 3.791 . 0 0 "[ . 1 . 2]" 1
1568 2 5 G H4' 2 5 G H8 5.000 . 5.500 4.541 4.242 4.716 . 0 0 "[ . 1 . 2]" 1
1569 2 6 U H1' 2 6 U H2' 4.000 . 4.500 2.928 2.695 3.018 . 0 0 "[ . 1 . 2]" 1
1570 2 6 U H1' 2 6 U H3' 4.000 . 4.500 3.864 3.674 4.027 . 0 0 "[ . 1 . 2]" 1
1571 2 6 U H1' 2 6 U H6 3.000 . 3.500 2.871 2.392 3.112 . 0 0 "[ . 1 . 2]" 1
1572 2 6 U H2' 2 6 U H6 3.000 . 3.500 2.379 2.235 2.691 . 0 0 "[ . 1 . 2]" 1
1573 2 6 U H3' 2 6 U H6 4.500 . 5.000 4.498 4.088 4.563 . 0 0 "[ . 1 . 2]" 1
1574 2 6 U H5 2 6 U H6 2.500 . 3.000 2.417 2.411 2.426 . 0 0 "[ . 1 . 2]" 1
1575 1 90 GLY HA2 2 1 U H5 4.500 . 5.000 4.434 4.157 4.547 . 0 0 "[ . 1 . 2]" 1
1576 1 90 GLY HA3 2 1 U H5 4.500 . 5.000 2.992 2.532 3.716 . 0 0 "[ . 1 . 2]" 1
1577 1 91 PHE QD 2 1 U H1' 5.610 . 6.110 3.547 2.737 4.814 . 0 0 "[ . 1 . 2]" 1
1578 1 91 PHE QE 2 1 U H1' 5.610 . 6.110 3.799 2.845 4.885 . 0 0 "[ . 1 . 2]" 1
1579 1 91 PHE QE 2 1 U H6 5.610 . 6.110 4.045 3.321 4.968 . 0 0 "[ . 1 . 2]" 1
1580 1 51 LYS QD 2 2 C H1' 6.170 . 6.670 4.296 3.940 5.636 . 0 0 "[ . 1 . 2]" 1
1581 1 51 LYS HE2 2 2 C H2' 5.000 . 5.500 4.077 3.720 5.027 . 0 0 "[ . 1 . 2]" 1
1582 1 51 LYS HE2 2 2 C H3' 5.500 . 6.000 5.168 4.853 5.608 . 0 0 "[ . 1 . 2]" 1
1583 1 51 LYS HE2 2 2 C H4' 4.500 . 5.000 4.500 4.114 4.557 . 0 0 "[ . 1 . 2]" 1
1584 1 51 LYS HE2 2 2 C Q5' 6.170 . 6.670 2.828 2.266 3.330 . 0 0 "[ . 1 . 2]" 1
1585 1 51 LYS HG2 2 2 C H5 5.000 . 5.500 5.060 5.025 5.099 . 0 0 "[ . 1 . 2]" 1
1586 1 51 LYS QD 2 2 C H5 5.050 . 5.550 3.546 2.738 4.423 . 0 0 "[ . 1 . 2]" 1
1587 1 51 LYS HE2 2 2 C H5 5.000 . 5.500 3.328 2.963 4.981 . 0 0 "[ . 1 . 2]" 1
1588 1 51 LYS QD 2 2 C H6 5.610 . 6.110 3.764 3.224 4.483 . 0 0 "[ . 1 . 2]" 1
1589 1 51 LYS HE2 2 2 C H6 4.000 . 4.500 2.659 2.255 4.050 . 0 0 "[ . 1 . 2]" 1
1590 1 51 LYS HE3 2 2 C H6 4.000 . 4.500 3.678 2.412 4.028 . 0 0 "[ . 1 . 2]" 1
1591 1 93 PHE QD 2 2 C H1' 6.170 . 6.670 4.667 4.222 5.486 . 0 0 "[ . 1 . 2]" 1
1592 1 93 PHE QE 2 2 C H1' 5.050 . 5.550 2.724 2.319 3.454 . 0 0 "[ . 1 . 2]" 1
1593 1 93 PHE QE 2 2 C H4' 4.490 . 4.990 3.023 2.382 3.786 . 0 0 "[ . 1 . 2]" 1
1594 1 93 PHE QE 2 2 C Q5' 5.670 . 6.170 4.035 3.564 4.574 . 0 0 "[ . 1 . 2]" 1
1595 1 124 ALA MB 2 2 C H1' 6.000 . 6.500 4.840 4.354 5.036 . 0 0 "[ . 1 . 2]" 1
1596 1 125 ARG QG 2 2 C H1' 6.170 . 6.670 4.545 3.440 5.568 . 0 0 "[ . 1 . 2]" 1
1597 1 125 ARG QD 2 2 C H1' 5.610 . 6.110 5.026 5.003 5.057 . 0 0 "[ . 1 . 2]" 1
1598 1 125 ARG QG 2 2 C H5 6.170 . 6.670 4.317 4.014 4.772 . 0 0 "[ . 1 . 2]" 1
1599 1 125 ARG QD 2 2 C H5 5.050 . 5.550 3.696 2.970 4.530 . 0 0 "[ . 1 . 2]" 1
1600 1 126 TYR QB 2 2 C H1' 5.610 . 6.110 3.993 3.378 5.060 . 0 0 "[ . 1 . 2]" 1
1601 1 126 TYR QD 2 2 C H1' 5.050 . 5.550 3.102 2.730 3.975 . 0 0 "[ . 1 . 2]" 1
1602 1 126 TYR QE 2 2 C H1' 5.050 . 5.550 4.518 4.492 4.565 . 0 0 "[ . 1 . 2]" 1
1603 1 126 TYR QE 2 2 C H2' 5.610 . 6.110 4.123 3.471 4.679 . 0 0 "[ . 1 . 2]" 1
1604 1 78 TYR HA 2 3 C H1' 5.500 . 6.000 5.748 5.655 5.856 . 0 0 "[ . 1 . 2]" 1
1605 1 78 TYR QB 2 3 C H1' 5.610 . 6.110 3.091 3.005 3.326 . 0 0 "[ . 1 . 2]" 1
1606 1 78 TYR QD 2 3 C H1' 4.490 . 4.990 2.176 2.021 2.475 . 0 0 "[ . 1 . 2]" 1
1607 1 78 TYR QE 2 3 C H1' 3.930 . 4.430 3.508 2.986 3.570 . 0 0 "[ . 1 . 2]" 1
1608 1 78 TYR QE 2 3 C H2' 5.610 . 6.110 4.709 4.521 4.893 . 0 0 "[ . 1 . 2]" 1
1609 1 78 TYR QE 2 3 C H3' 5.610 . 6.110 4.894 4.541 5.027 . 0 0 "[ . 1 . 2]" 1
1610 1 78 TYR QE 2 3 C H4' 5.610 . 6.110 2.320 2.095 2.679 . 0 0 "[ . 1 . 2]" 1
1611 1 80 PRO QB 2 3 C H1' 5.610 . 6.110 4.540 3.478 5.015 . 0 0 "[ . 1 . 2]" 1
1612 1 80 PRO QB 2 3 C H4' 5.050 . 5.550 2.468 1.862 3.490 . 0 0 "[ . 1 . 2]" 1
1613 1 80 PRO QG 2 3 C H1' 5.050 . 5.550 3.421 2.775 4.504 . 0 0 "[ . 1 . 2]" 1
1614 1 80 PRO QG 2 3 C H4' 5.050 . 5.550 2.897 2.070 3.524 . 0 0 "[ . 1 . 2]" 1
1615 1 93 PHE QD 2 3 C H1' 6.170 . 6.670 3.733 3.557 4.014 . 0 0 "[ . 1 . 2]" 1
1616 1 93 PHE QE 2 3 C H1' 5.050 . 5.550 4.522 4.407 4.566 . 0 0 "[ . 1 . 2]" 1
1617 1 93 PHE QE 2 3 C Q5' 6.300 . 6.800 4.796 3.904 5.060 . 0 0 "[ . 1 . 2]" 1
1618 1 93 PHE QD 2 3 C H5 6.170 . 6.670 4.979 4.819 5.302 . 0 0 "[ . 1 . 2]" 1
1619 1 93 PHE QE 2 3 C H5 5.610 . 6.110 2.922 2.761 3.307 . 0 0 "[ . 1 . 2]" 1
1620 1 124 ALA MB 2 3 C H5 6.000 . 6.500 4.978 4.693 5.101 . 0 0 "[ . 1 . 2]" 1
1621 1 126 TYR HB2 2 3 C H5 5.000 . 5.500 3.400 2.936 3.802 . 0 0 "[ . 1 . 2]" 1
1622 1 126 TYR HB3 2 3 C H5 5.000 . 5.500 4.607 4.092 5.010 . 0 0 "[ . 1 . 2]" 1
1623 1 126 TYR QD 2 3 C H5 5.610 . 6.110 4.116 3.342 4.617 . 0 0 "[ . 1 . 2]" 1
1624 1 128 ARG QG 2 3 C H2' 5.050 . 5.550 3.404 2.441 4.650 . 0 0 "[ . 1 . 2]" 1
1625 1 128 ARG QG 2 3 C H3' 5.050 . 5.550 4.153 3.390 4.676 . 0 0 "[ . 1 . 2]" 1
1626 1 128 ARG QD 2 3 C H2' 5.610 . 6.110 4.245 2.735 5.014 . 0 0 "[ . 1 . 2]" 1
1627 1 128 ARG QD 2 3 C H3' 6.170 . 6.670 5.224 4.163 5.717 . 0 0 "[ . 1 . 2]" 1
1628 1 129 PRO QG 2 3 C H1' 5.610 . 6.110 5.283 5.222 5.321 . 0 0 "[ . 1 . 2]" 1
1629 1 129 PRO QG 2 3 C H2' 4.490 . 4.990 3.912 3.775 4.046 . 0 0 "[ . 1 . 2]" 1
1630 1 129 PRO QG 2 3 C H3' 4.490 . 4.990 1.979 1.936 2.067 . 0 0 "[ . 1 . 2]" 1
1631 1 129 PRO QG 2 3 C H5 5.610 . 6.110 4.400 3.922 4.802 . 0 0 "[ . 1 . 2]" 1
1632 1 129 PRO QG 2 3 C H6 5.050 . 5.550 3.015 2.715 3.286 . 0 0 "[ . 1 . 2]" 1
1633 1 129 PRO HD2 2 3 C H1' 5.500 . 6.000 5.433 5.053 5.698 . 0 0 "[ . 1 . 2]" 1
1634 1 129 PRO HD3 2 3 C H1' 5.500 . 6.000 5.386 5.120 5.533 . 0 0 "[ . 1 . 2]" 1
1635 1 129 PRO HD2 2 3 C H2' 4.000 . 4.500 3.102 2.746 3.378 . 0 0 "[ . 1 . 2]" 1
1636 1 129 PRO HD3 2 3 C H2' 4.000 . 4.500 3.740 3.319 4.054 . 0 0 "[ . 1 . 2]" 1
1637 1 129 PRO HD2 2 3 C H3' 5.000 . 5.500 2.119 1.906 2.314 . 0 0 "[ . 1 . 2]" 1
1638 1 129 PRO HD3 2 3 C H3' 5.000 . 5.500 2.257 2.024 2.479 . 0 0 "[ . 1 . 2]" 1
1639 1 129 PRO HD2 2 3 C H5 5.000 . 5.500 4.033 3.470 4.631 . 0 0 "[ . 1 . 2]" 1
1640 1 129 PRO HD3 2 3 C H5 5.000 . 5.500 2.728 2.375 3.005 . 0 0 "[ . 1 . 2]" 1
1641 1 129 PRO HD2 2 3 C H6 4.500 . 5.000 3.154 2.637 3.565 . 0 0 "[ . 1 . 2]" 1
1642 1 129 PRO HD3 2 3 C H6 4.500 . 5.000 2.106 1.922 2.232 . 0 0 "[ . 1 . 2]" 1
1643 1 80 PRO QG 2 4 A H8 5.610 . 6.110 4.403 3.639 5.040 . 0 0 "[ . 1 . 2]" 1
1644 1 82 ASP HA 2 4 A H2 4.500 . 5.000 4.267 3.706 4.566 . 0 0 "[ . 1 . 2]" 1
1645 1 82 ASP QB 2 4 A H2 5.610 . 6.110 4.999 4.689 5.086 . 0 0 "[ . 1 . 2]" 1
1646 1 83 ARG QB 2 4 A H1' 5.610 . 6.110 2.605 1.975 3.203 . 0 0 "[ . 1 . 2]" 1
1647 1 83 ARG QB 2 4 A H2 6.170 . 6.670 3.269 2.284 4.423 . 0 0 "[ . 1 . 2]" 1
1648 1 83 ARG QB 2 4 A H8 5.610 . 6.110 5.068 5.021 5.152 . 0 0 "[ . 1 . 2]" 1
1649 1 83 ARG QD 2 4 A H1' 5.610 . 6.110 1.823 1.741 1.970 0.059 11 0 "[ . 1 . 2]" 1
1650 1 83 ARG QD 2 4 A H2 5.050 . 5.550 3.701 3.217 4.540 . 0 0 "[ . 1 . 2]" 1
1651 1 83 ARG QD 2 4 A H8 5.610 . 6.110 5.096 5.017 5.195 . 0 0 "[ . 1 . 2]" 1
1652 1 84 TYR QE 2 4 A H2 5.050 . 5.550 2.354 2.080 2.970 . 0 0 "[ . 1 . 2]" 1
1653 1 129 PRO QG 2 4 A H1' 6.170 . 6.670 5.718 5.596 5.824 . 0 0 "[ . 1 . 2]" 1
1654 1 129 PRO QG 2 4 A H8 5.050 . 5.550 3.332 2.695 3.627 . 0 0 "[ . 1 . 2]" 1
1655 1 132 SER QB 2 4 A H1' 5.050 . 5.550 4.017 2.596 4.578 . 0 0 "[ . 1 . 2]" 1
1656 1 132 SER QB 2 4 A H2 5.050 . 5.550 4.323 3.259 4.597 . 0 0 "[ . 1 . 2]" 1
1657 1 132 SER QB 2 4 A H8 5.610 . 6.110 4.275 3.666 5.061 . 0 0 "[ . 1 . 2]" 1
1658 1 133 HIS QB 2 4 A H1' 5.610 . 6.110 3.407 2.249 5.062 . 0 0 "[ . 1 . 2]" 1
1659 1 133 HIS QB 2 4 A H2 5.050 . 5.550 3.977 2.984 4.573 . 0 0 "[ . 1 . 2]" 1
1660 1 133 HIS QB 2 4 A H8 5.610 . 6.110 5.038 4.967 5.120 . 0 0 "[ . 1 . 2]" 1
1661 1 78 TYR QD 2 5 G H1' 5.610 . 6.110 4.146 3.317 4.798 . 0 0 "[ . 1 . 2]" 1
1662 1 78 TYR QE 2 5 G H1' 4.490 . 4.990 3.190 2.583 3.846 . 0 0 "[ . 1 . 2]" 1
1663 1 78 TYR QE 2 5 G H8 5.610 . 6.110 4.389 3.094 5.011 . 0 0 "[ . 1 . 2]" 1
1664 1 37 TYR HB2 2 5 G H1' 4.500 . 5.000 4.505 3.481 4.722 . 0 0 "[ . 1 . 2]" 1
1665 1 37 TYR HB3 2 5 G H1' 4.500 . 5.000 4.482 3.802 4.610 . 0 0 "[ . 1 . 2]" 1
1666 1 38 GLY QA 2 5 G H1' 5.050 . 5.550 3.911 2.431 4.510 . 0 0 "[ . 1 . 2]" 1
1667 1 39 ARG HA 2 5 G H1' 4.500 . 5.000 3.884 3.489 4.136 . 0 0 "[ . 1 . 2]" 1
1668 1 39 ARG QB 2 5 G H1' 5.610 . 6.110 4.914 4.322 5.112 . 0 0 "[ . 1 . 2]" 1
1669 1 40 PRO QD 2 5 G H1' 5.050 . 5.550 4.524 3.639 4.634 . 0 0 "[ . 1 . 2]" 1
1670 1 38 GLY QA 2 6 U H1' 5.610 . 6.110 4.791 4.141 5.085 . 0 0 "[ . 1 . 2]" 1
1671 1 38 GLY QA 2 6 U H2' 5.050 . 5.550 3.053 2.053 4.533 . 0 0 "[ . 1 . 2]" 1
1672 1 38 GLY QA 2 6 U H3' 5.050 . 5.550 3.950 2.753 4.569 . 0 0 "[ . 1 . 2]" 1
1673 1 38 GLY QA 2 6 U H6 6.170 . 6.670 3.174 1.904 5.446 . 0 0 "[ . 1 . 2]" 1
1674 1 39 ARG QG 2 6 U H1' 5.050 . 5.550 4.430 2.942 4.551 . 0 0 "[ . 1 . 2]" 1
1675 1 39 ARG QG 2 6 U H2' 5.050 . 5.550 3.327 2.013 4.517 . 0 0 "[ . 1 . 2]" 1
1676 1 39 ARG QG 2 6 U H3' 4.490 . 4.990 3.555 1.929 4.130 . 0 0 "[ . 1 . 2]" 1
1677 1 39 ARG QG 2 6 U H6 6.170 . 6.670 4.007 2.641 4.912 . 0 0 "[ . 1 . 2]" 1
1678 1 39 ARG QD 2 6 U H1' 4.490 . 4.990 3.967 2.316 4.123 . 0 0 "[ . 1 . 2]" 1
1679 1 39 ARG QD 2 6 U H2' 5.050 . 5.550 3.679 2.085 4.510 . 0 0 "[ . 1 . 2]" 1
1680 1 39 ARG QD 2 6 U H3' 4.490 . 4.990 3.456 2.301 4.110 . 0 0 "[ . 1 . 2]" 1
1681 1 39 ARG QD 2 6 U H6 5.610 . 6.110 4.527 2.667 5.059 . 0 0 "[ . 1 . 2]" 1
1682 1 37 TYR QD 1 77 VAL MG1 7.410 . 7.910 2.074 1.930 2.670 . 0 0 "[ . 1 . 2]" 1
1683 1 37 TYR QE 1 74 VAL MG2 8.090 . 8.590 5.533 3.744 6.069 . 0 0 "[ . 1 . 2]" 1
1684 1 37 TYR QE 1 77 VAL MG1 6.740 . 7.240 2.374 1.994 3.695 . 0 0 "[ . 1 . 2]" 1
1685 1 38 GLY QA 1 77 VAL MG1 8.090 . 8.590 6.085 6.029 6.114 . 0 0 "[ . 1 . 2]" 1
1686 1 37 TYR QD 1 65 ARG QB 6.300 . 6.800 5.019 4.775 5.117 . 0 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 62
_Distance_constraint_stats_list.Viol_count 52
_Distance_constraint_stats_list.Viol_total 395.520
_Distance_constraint_stats_list.Viol_max 1.558
_Distance_constraint_stats_list.Viol_rms 0.1157
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0159
_Distance_constraint_stats_list.Viol_average_violations_only 0.3803
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 50 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 LYS 0.033 0.015 11 0 "[ . 1 . 2]"
1 52 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 53 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 60 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 61 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 62 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 63 THR 0.829 0.092 9 0 "[ . 1 . 2]"
1 64 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 65 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 66 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 67 VAL 0.829 0.092 9 0 "[ . 1 . 2]"
1 68 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 69 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 76 ASP 18.859 1.558 8 13 "[*** * +*1-***** *]"
1 78 TYR 0.007 0.007 19 0 "[ . 1 . 2]"
1 93 PHE 0.007 0.007 19 0 "[ . 1 . 2]"
1 94 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 95 ARG 0.048 0.017 6 0 "[ . 1 . 2]"
1 96 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 98 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 99 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 100 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 101 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 102 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 103 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 104 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 105 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 106 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 107 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 108 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 109 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 110 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 120 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 122 GLN 0.033 0.015 11 0 "[ . 1 . 2]"
1 125 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
2 2 C 0.000 0.000 . 0 "[ . 1 . 2]"
2 3 C 0.048 0.017 6 0 "[ . 1 . 2]"
2 5 G 18.859 1.558 8 13 "[*** * +*1-***** *]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 60 SER O 1 64 LEU H 2.400 . 2.900 2.253 2.087 2.382 . 0 0 "[ . 1 . 2]" 2
2 1 60 SER O 1 64 LEU N 3.400 2.400 3.900 3.242 3.063 3.384 . 0 0 "[ . 1 . 2]" 2
3 1 61 PRO O 1 65 ARG H 2.400 . 2.900 2.323 2.058 2.429 . 0 0 "[ . 1 . 2]" 2
4 1 61 PRO O 1 65 ARG N 3.400 2.400 3.900 3.171 2.944 3.314 . 0 0 "[ . 1 . 2]" 2
5 1 62 ASP O 1 66 ARG H 2.400 . 2.900 2.472 2.413 2.530 . 0 0 "[ . 1 . 2]" 2
6 1 62 ASP O 1 66 ARG N 3.400 2.400 3.900 3.392 3.324 3.459 . 0 0 "[ . 1 . 2]" 2
7 1 63 THR O 1 67 VAL H 2.400 . 2.900 1.770 1.708 1.998 0.092 9 0 "[ . 1 . 2]" 2
8 1 63 THR O 1 67 VAL N 3.400 2.400 3.900 2.764 2.703 3.003 . 0 0 "[ . 1 . 2]" 2
9 1 64 LEU O 1 68 PHE H 2.400 . 2.900 2.212 1.997 2.472 . 0 0 "[ . 1 . 2]" 2
10 1 64 LEU O 1 68 PHE N 3.400 2.400 3.900 3.076 2.884 3.318 . 0 0 "[ . 1 . 2]" 2
11 1 65 ARG O 1 69 GLU H 2.400 . 2.900 2.478 2.416 2.572 . 0 0 "[ . 1 . 2]" 2
12 1 65 ARG O 1 69 GLU N 3.400 2.400 3.900 3.119 3.050 3.208 . 0 0 "[ . 1 . 2]" 2
13 1 98 ASP O 1 102 ALA H 2.400 . 2.900 2.089 1.980 2.162 . 0 0 "[ . 1 . 2]" 2
14 1 98 ASP O 1 102 ALA N 3.400 2.400 3.900 2.950 2.884 3.057 . 0 0 "[ . 1 . 2]" 2
15 1 99 LYS O 1 103 GLU H 2.400 . 2.900 1.907 1.811 2.159 . 0 0 "[ . 1 . 2]" 2
16 1 99 LYS O 1 103 GLU N 3.400 2.400 3.900 2.852 2.756 3.095 . 0 0 "[ . 1 . 2]" 2
17 1 100 ARG O 1 104 ASP H 2.400 . 2.900 2.460 1.986 2.514 . 0 0 "[ . 1 . 2]" 2
18 1 100 ARG O 1 104 ASP N 3.400 2.400 3.900 3.406 2.980 3.444 . 0 0 "[ . 1 . 2]" 2
19 1 101 ASP O 1 105 ALA H 2.400 . 2.900 2.221 2.053 2.455 . 0 0 "[ . 1 . 2]" 2
20 1 101 ASP O 1 105 ALA N 3.400 2.400 3.900 3.107 2.942 3.333 . 0 0 "[ . 1 . 2]" 2
21 1 102 ALA O 1 106 MET H 2.400 . 2.900 2.380 2.271 2.451 . 0 0 "[ . 1 . 2]" 2
22 1 102 ALA O 1 106 MET N 3.400 2.400 3.900 3.267 3.149 3.351 . 0 0 "[ . 1 . 2]" 2
23 1 103 GLU O 1 107 ASP H 2.400 . 2.900 2.291 2.163 2.407 . 0 0 "[ . 1 . 2]" 2
24 1 103 GLU O 1 107 ASP N 3.400 2.400 3.900 3.168 3.044 3.268 . 0 0 "[ . 1 . 2]" 2
25 1 104 ASP O 1 108 ALA H 2.400 . 2.900 2.523 2.503 2.554 . 0 0 "[ . 1 . 2]" 2
26 1 104 ASP O 1 108 ALA N 3.400 2.400 3.900 3.121 3.047 3.182 . 0 0 "[ . 1 . 2]" 2
27 1 105 ALA O 1 109 MET H 2.400 . 2.900 2.392 2.179 2.430 . 0 0 "[ . 1 . 2]" 2
28 1 105 ALA O 1 109 MET N 3.400 2.400 3.900 3.072 2.874 3.139 . 0 0 "[ . 1 . 2]" 2
29 1 106 MET O 1 110 ASP H 2.400 . 2.900 2.099 2.027 2.313 . 0 0 "[ . 1 . 2]" 2
30 1 106 MET O 1 110 ASP N 3.400 2.400 3.900 3.024 2.948 3.225 . 0 0 "[ . 1 . 2]" 2
31 1 51 LYS H 1 122 GLN O 2.400 . 2.900 2.066 1.785 2.373 0.015 11 0 "[ . 1 . 2]" 2
32 1 51 LYS N 1 122 GLN O 3.400 2.400 3.900 2.802 2.746 2.901 . 0 0 "[ . 1 . 2]" 2
33 1 51 LYS O 1 122 GLN H 2.400 . 2.900 2.080 1.998 2.239 . 0 0 "[ . 1 . 2]" 2
34 1 51 LYS O 1 122 GLN N 3.400 2.400 3.900 3.005 2.951 3.169 . 0 0 "[ . 1 . 2]" 2
35 1 53 ASP H 1 120 ARG O 2.400 . 2.900 1.881 1.810 2.012 . 0 0 "[ . 1 . 2]" 2
36 1 53 ASP N 1 120 ARG O 3.400 2.400 3.900 2.877 2.802 2.998 . 0 0 "[ . 1 . 2]" 2
37 1 53 ASP O 1 120 ARG H 2.400 . 2.900 2.152 1.973 2.411 . 0 0 "[ . 1 . 2]" 2
38 1 53 ASP O 1 120 ARG N 3.400 2.400 3.900 3.011 2.850 3.285 . 0 0 "[ . 1 . 2]" 2
39 1 50 LEU H 1 96 PHE O 2.400 . 2.900 2.517 2.441 2.597 . 0 0 "[ . 1 . 2]" 2
40 1 50 LEU N 1 96 PHE O 3.400 2.400 3.900 3.314 3.208 3.405 . 0 0 "[ . 1 . 2]" 2
41 1 50 LEU O 1 96 PHE H 2.400 . 2.900 2.486 1.921 2.620 . 0 0 "[ . 1 . 2]" 2
42 1 50 LEU O 1 96 PHE N 3.400 2.400 3.900 3.375 2.885 3.495 . 0 0 "[ . 1 . 2]" 2
43 1 52 VAL H 1 94 VAL O 2.400 . 2.900 2.458 2.400 2.618 . 0 0 "[ . 1 . 2]" 2
44 1 52 VAL N 1 94 VAL O 3.400 2.400 3.900 3.035 2.856 3.386 . 0 0 "[ . 1 . 2]" 2
45 1 52 VAL O 1 94 VAL H 2.400 . 2.900 2.564 2.537 2.609 . 0 0 "[ . 1 . 2]" 2
46 1 52 VAL O 1 94 VAL N 3.400 2.400 3.900 3.432 3.394 3.470 . 0 0 "[ . 1 . 2]" 2
47 1 76 ASP O 1 95 ARG H 2.400 . 2.900 1.937 1.840 2.100 . 0 0 "[ . 1 . 2]" 2
48 1 76 ASP O 1 95 ARG N 3.400 2.400 3.900 2.886 2.801 2.960 . 0 0 "[ . 1 . 2]" 2
49 1 76 ASP H 1 95 ARG O 2.400 . 2.900 2.377 2.207 2.452 . 0 0 "[ . 1 . 2]" 2
50 1 76 ASP N 1 95 ARG O 3.400 2.400 3.900 3.139 2.833 3.449 . 0 0 "[ . 1 . 2]" 2
51 1 78 TYR O 1 93 PHE H 2.400 . 2.900 1.905 1.793 2.035 0.007 19 0 "[ . 1 . 2]" 2
52 1 78 TYR O 1 93 PHE N 3.400 2.400 3.900 2.760 2.722 2.797 . 0 0 "[ . 1 . 2]" 2
53 1 78 TYR H 1 93 PHE O 2.400 . 2.900 2.386 2.077 2.490 . 0 0 "[ . 1 . 2]" 2
54 1 78 TYR N 1 93 PHE O 3.400 2.400 3.900 3.158 2.881 3.325 . 0 0 "[ . 1 . 2]" 2
55 1 125 ARG H 2 2 C N3 2.400 . 2.900 2.418 2.307 2.477 . 0 0 "[ . 1 . 2]" 2
56 1 125 ARG N 2 2 C N3 3.400 2.400 3.900 3.061 2.911 3.228 . 0 0 "[ . 1 . 2]" 2
57 1 76 ASP OD1 2 5 G H1 2.400 . 2.900 3.405 2.307 4.458 1.558 8 13 "[*** * +*1*****- *]" 2
58 1 76 ASP OD1 2 5 G N1 3.400 2.400 3.900 3.973 3.113 5.306 1.406 8 3 "[* . + 1- . 2]" 2
59 1 95 ARG NH2 2 3 C O2 3.400 2.400 3.900 2.889 2.716 3.286 . 0 0 "[ . 1 . 2]" 2
60 1 95 ARG QH2 2 3 C O2 2.690 . 3.190 2.169 1.783 2.581 0.017 6 0 "[ . 1 . 2]" 2
61 1 95 ARG NH1 2 3 C N3 3.400 2.400 3.900 2.813 2.732 2.938 . 0 0 "[ . 1 . 2]" 2
62 1 95 ARG QH1 2 3 C N3 2.690 . 3.190 2.180 1.786 2.615 0.014 8 0 "[ . 1 . 2]" 2
stop_
save_
Contact the webmaster for help, if required. Sunday, May 19, 2024 7:51:18 AM GMT (wattos1)