NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
385783 |
1l5i   |
5297 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1l5i
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 1331
_Distance_constraint_stats_list.Viol_count 2234
_Distance_constraint_stats_list.Viol_total 3042.008
_Distance_constraint_stats_list.Viol_max 0.251
_Distance_constraint_stats_list.Viol_rms 0.0134
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0025
_Distance_constraint_stats_list.Viol_average_violations_only 0.0454
_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 4 PHE 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 5 SER 1.467 0.094 19 0 "[ . 1 . 2 . 3]"
1 6 ILE 9.935 0.143 30 0 "[ . 1 . 2 . 3]"
1 7 LYS 0.103 0.096 30 0 "[ . 1 . 2 . 3]"
1 8 ALA 2.848 0.117 30 0 "[ . 1 . 2 . 3]"
1 9 LYS 0.128 0.047 29 0 "[ . 1 . 2 . 3]"
1 10 ASN 1.423 0.121 27 0 "[ . 1 . 2 . 3]"
1 11 TYR 0.618 0.145 16 0 "[ . 1 . 2 . 3]"
1 12 PHE 0.431 0.049 29 0 "[ . 1 . 2 . 3]"
1 13 LEU 1.001 0.072 30 0 "[ . 1 . 2 . 3]"
1 14 THR 1.561 0.087 24 0 "[ . 1 . 2 . 3]"
1 15 TYR 1.194 0.082 30 0 "[ . 1 . 2 . 3]"
1 16 PRO 1.912 0.114 3 0 "[ . 1 . 2 . 3]"
1 17 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 18 CYS 3.050 0.157 29 0 "[ . 1 . 2 . 3]"
1 19 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 20 LEU 3.050 0.157 29 0 "[ . 1 . 2 . 3]"
1 21 THR 4.234 0.131 21 0 "[ . 1 . 2 . 3]"
1 22 LYS 3.905 0.218 14 0 "[ . 1 . 2 . 3]"
1 23 GLU 0.601 0.057 8 0 "[ . 1 . 2 . 3]"
1 24 ASN 6.114 0.131 21 0 "[ . 1 . 2 . 3]"
1 25 ALA 5.355 0.159 16 0 "[ . 1 . 2 . 3]"
1 26 LEU 7.422 0.218 14 0 "[ . 1 . 2 . 3]"
1 27 SER 1.440 0.071 15 0 "[ . 1 . 2 . 3]"
1 28 GLN 1.561 0.109 14 0 "[ . 1 . 2 . 3]"
1 29 ILE 5.346 0.159 16 0 "[ . 1 . 2 . 3]"
1 30 THR 5.012 0.251 27 0 "[ . 1 . 2 . 3]"
1 31 ASN 1.868 0.251 27 0 "[ . 1 . 2 . 3]"
1 32 LEU 0.887 0.107 8 0 "[ . 1 . 2 . 3]"
1 33 GLN 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 34 THR 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 35 PRO 0.932 0.142 27 0 "[ . 1 . 2 . 3]"
1 36 THR 4.592 0.164 14 0 "[ . 1 . 2 . 3]"
1 37 ASN 3.415 0.171 27 0 "[ . 1 . 2 . 3]"
1 38 LYS 1.020 0.107 8 0 "[ . 1 . 2 . 3]"
1 39 LEU 0.806 0.107 11 0 "[ . 1 . 2 . 3]"
1 40 PHE 3.167 0.116 17 0 "[ . 1 . 2 . 3]"
1 41 ILE 1.163 0.076 5 0 "[ . 1 . 2 . 3]"
1 42 LYS 2.027 0.101 9 0 "[ . 1 . 2 . 3]"
1 43 ILE 1.264 0.082 20 0 "[ . 1 . 2 . 3]"
1 44 CYS 0.623 0.089 13 0 "[ . 1 . 2 . 3]"
1 45 ARG 1.007 0.075 18 0 "[ . 1 . 2 . 3]"
1 46 GLU 2.239 0.075 18 0 "[ . 1 . 2 . 3]"
1 47 LEU 0.686 0.082 9 0 "[ . 1 . 2 . 3]"
1 48 HIS 1.311 0.088 10 0 "[ . 1 . 2 . 3]"
1 49 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 50 ASN 1.033 0.086 26 0 "[ . 1 . 2 . 3]"
1 51 GLY 3.759 0.117 14 0 "[ . 1 . 2 . 3]"
1 52 GLU 3.503 0.117 14 0 "[ . 1 . 2 . 3]"
1 53 PRO 0.686 0.082 9 0 "[ . 1 . 2 . 3]"
1 54 HIS 2.278 0.114 3 0 "[ . 1 . 2 . 3]"
1 55 LEU 1.426 0.082 30 0 "[ . 1 . 2 . 3]"
1 56 HIS 1.522 0.089 13 0 "[ . 1 . 2 . 3]"
1 57 ILE 0.896 0.072 30 0 "[ . 1 . 2 . 3]"
1 58 LEU 2.321 0.101 9 0 "[ . 1 . 2 . 3]"
1 59 ILE 0.274 0.077 30 0 "[ . 1 . 2 . 3]"
1 60 GLN 2.372 0.158 11 0 "[ . 1 . 2 . 3]"
1 61 PHE 0.128 0.047 29 0 "[ . 1 . 2 . 3]"
1 62 GLU 3.069 0.148 30 0 "[ . 1 . 2 . 3]"
1 63 GLY 5.320 0.164 14 0 "[ . 1 . 2 . 3]"
1 64 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 65 TYR 1.487 0.145 16 0 "[ . 1 . 2 . 3]"
1 66 ASN 6.827 0.126 13 0 "[ . 1 . 2 . 3]"
1 67 CYS 7.491 0.143 30 0 "[ . 1 . 2 . 3]"
1 68 THR 4.410 0.126 13 0 "[ . 1 . 2 . 3]"
1 69 ASN 0.646 0.043 4 0 "[ . 1 . 2 . 3]"
1 70 GLN 0.804 0.076 3 0 "[ . 1 . 2 . 3]"
1 71 ARG 0.228 0.043 4 0 "[ . 1 . 2 . 3]"
1 72 PHE 0.274 0.078 15 0 "[ . 1 . 2 . 3]"
1 73 PHE 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 74 ASP 0.294 0.066 30 0 "[ . 1 . 2 . 3]"
1 75 LEU 3.694 0.104 16 0 "[ . 1 . 2 . 3]"
1 76 VAL 0.049 0.031 20 0 "[ . 1 . 2 . 3]"
1 77 SER 2.100 0.082 30 0 "[ . 1 . 2 . 3]"
1 78 PRO 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 79 THR 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 80 ARG 0.778 0.042 5 0 "[ . 1 . 2 . 3]"
1 81 SER 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 82 ALA 0.778 0.042 5 0 "[ . 1 . 2 . 3]"
1 83 HIS 1.084 0.055 24 0 "[ . 1 . 2 . 3]"
1 84 PHE 3.748 0.082 30 0 "[ . 1 . 2 . 3]"
1 85 HIS 1.840 0.076 3 0 "[ . 1 . 2 . 3]"
1 86 PRO 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 87 ASN 2.255 0.087 24 0 "[ . 1 . 2 . 3]"
1 88 ILE 0.059 0.026 7 0 "[ . 1 . 2 . 3]"
1 89 GLN 0.142 0.034 1 0 "[ . 1 . 2 . 3]"
1 90 GLY 1.882 0.091 28 0 "[ . 1 . 2 . 3]"
1 91 ALA 3.174 0.121 27 0 "[ . 1 . 2 . 3]"
1 92 LYS 0.761 0.139 22 0 "[ . 1 . 2 . 3]"
1 93 SER 0.761 0.139 22 0 "[ . 1 . 2 . 3]"
1 95 SER 4.573 0.233 29 0 "[ . 1 . 2 . 3]"
1 96 ASP 0.412 0.096 16 0 "[ . 1 . 2 . 3]"
1 97 VAL 5.381 0.233 29 0 "[ . 1 . 2 . 3]"
1 98 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 99 SER 0.601 0.078 1 0 "[ . 1 . 2 . 3]"
1 100 TYR 0.578 0.096 16 0 "[ . 1 . 2 . 3]"
1 101 ILE 1.757 0.153 30 0 "[ . 1 . 2 . 3]"
1 102 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 103 LYS 0.165 0.068 25 0 "[ . 1 . 2 . 3]"
1 104 ASP 1.547 0.153 30 0 "[ . 1 . 2 . 3]"
1 105 GLY 1.214 0.061 27 0 "[ . 1 . 2 . 3]"
1 106 ASP 0.656 0.074 19 0 "[ . 1 . 2 . 3]"
1 107 VAL 1.757 0.082 20 0 "[ . 1 . 2 . 3]"
1 108 LEU 0.723 0.071 4 0 "[ . 1 . 2 . 3]"
1 109 GLU 0.003 0.003 10 0 "[ . 1 . 2 . 3]"
1 110 TRP 1.128 0.076 5 0 "[ . 1 . 2 . 3]"
1 111 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 112 THR 0.777 0.098 14 0 "[ . 1 . 2 . 3]"
1 113 PHE 0.346 0.058 7 0 "[ . 1 . 2 . 3]"
1 114 GLN 1.377 0.158 11 0 "[ . 1 . 2 . 3]"
1 115 ILE 0.270 0.058 7 0 "[ . 1 . 2 . 3]"
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 4 PHE H 1 4 PHE HB2 . . 3.300 2.727 2.644 2.772 . 0 0 "[ . 1 . 2 . 3]" 1
2 1 4 PHE H 1 4 PHE HB3 . . 3.300 2.068 2.046 2.127 . 0 0 "[ . 1 . 2 . 3]" 1
3 1 4 PHE HA 1 4 PHE HB2 . . 2.900 2.418 2.408 2.448 . 0 0 "[ . 1 . 2 . 3]" 1
4 1 4 PHE HA 1 5 SER H . . 2.900 2.229 2.224 2.233 . 0 0 "[ . 1 . 2 . 3]" 1
5 1 4 PHE HA 1 68 THR HA . . 5.500 5.140 5.029 5.252 . 0 0 "[ . 1 . 2 . 3]" 1
6 1 4 PHE HB2 1 5 SER H . . 5.000 4.468 4.453 4.504 . 0 0 "[ . 1 . 2 . 3]" 1
7 1 4 PHE HB3 1 5 SER H . . 5.000 4.609 4.582 4.622 . 0 0 "[ . 1 . 2 . 3]" 1
8 1 4 PHE QD 1 5 SER H . . 5.500 4.178 4.133 4.203 . 0 0 "[ . 1 . 2 . 3]" 1
9 1 4 PHE QD 1 5 SER HA . . 7.700 3.902 3.798 4.030 . 0 0 "[ . 1 . 2 . 3]" 1
10 1 4 PHE QD 1 6 ILE MD . . 8.700 3.636 3.443 3.776 . 0 0 "[ . 1 . 2 . 3]" 1
11 1 4 PHE QD 1 11 TYR QE . . 9.400 6.881 6.753 7.025 . 0 0 "[ . 1 . 2 . 3]" 1
12 1 4 PHE QD 1 68 THR HA . . 5.500 2.837 2.606 3.115 . 0 0 "[ . 1 . 2 . 3]" 1
13 1 4 PHE QD 1 69 ASN H . . 7.200 3.652 3.361 3.920 . 0 0 "[ . 1 . 2 . 3]" 1
14 1 4 PHE QD 1 70 GLN HA . . 7.700 5.565 5.296 5.764 . 0 0 "[ . 1 . 2 . 3]" 1
15 1 4 PHE QD 1 70 GLN QG . . 8.000 4.101 3.194 5.670 . 0 0 "[ . 1 . 2 . 3]" 1
16 1 4 PHE QD 1 88 ILE MG . . 8.200 5.569 5.052 5.988 . 0 0 "[ . 1 . 2 . 3]" 1
17 1 4 PHE QE 1 5 SER H . . 7.700 5.393 5.364 5.417 . 0 0 "[ . 1 . 2 . 3]" 1
18 1 4 PHE QE 1 6 ILE MD . . 5.900 1.940 1.861 2.045 . 0 0 "[ . 1 . 2 . 3]" 1
19 1 4 PHE QE 1 11 TYR QE . . 9.400 5.207 5.042 5.433 . 0 0 "[ . 1 . 2 . 3]" 1
20 1 4 PHE QE 1 67 CYS QB . . 8.580 4.153 3.775 4.521 . 0 0 "[ . 1 . 2 . 3]" 1
21 1 4 PHE QE 1 68 THR HA . . 7.700 3.066 3.004 3.168 . 0 0 "[ . 1 . 2 . 3]" 1
22 1 4 PHE QE 1 69 ASN H . . 7.200 2.311 2.059 2.668 . 0 0 "[ . 1 . 2 . 3]" 1
23 1 4 PHE QE 1 70 GLN HA . . 4.900 3.810 3.721 3.869 . 0 0 "[ . 1 . 2 . 3]" 1
24 1 4 PHE QE 1 70 GLN QG . . 8.500 3.445 2.216 5.251 . 0 0 "[ . 1 . 2 . 3]" 1
25 1 4 PHE QE 1 88 ILE MD . . 8.700 2.818 2.510 3.339 . 0 0 "[ . 1 . 2 . 3]" 1
26 1 4 PHE QE 1 88 ILE MG . . 6.500 3.808 3.302 4.222 . 0 0 "[ . 1 . 2 . 3]" 1
27 1 4 PHE HZ 1 6 ILE MD . . 3.700 2.037 1.933 2.468 . 0 0 "[ . 1 . 2 . 3]" 1
28 1 4 PHE HZ 1 6 ILE MG . . 6.000 4.681 4.475 4.916 . 0 0 "[ . 1 . 2 . 3]" 1
29 1 4 PHE HZ 1 70 GLN HA . . 5.000 4.449 4.118 4.669 . 0 0 "[ . 1 . 2 . 3]" 1
30 1 4 PHE HZ 1 88 ILE MD . . 3.700 2.166 1.938 2.756 . 0 0 "[ . 1 . 2 . 3]" 1
31 1 4 PHE HZ 1 88 ILE MG . . 4.300 2.921 2.180 3.486 . 0 0 "[ . 1 . 2 . 3]" 1
32 1 5 SER H 1 5 SER HB3 . . 3.300 2.690 2.554 2.908 . 0 0 "[ . 1 . 2 . 3]" 1
33 1 5 SER H 1 6 ILE H . . 5.500 4.128 4.072 4.201 . 0 0 "[ . 1 . 2 . 3]" 1
34 1 5 SER HA 1 5 SER HB2 . . 2.900 2.287 2.256 2.332 . 0 0 "[ . 1 . 2 . 3]" 1
35 1 5 SER HA 1 6 ILE H . . 2.900 2.217 2.215 2.221 . 0 0 "[ . 1 . 2 . 3]" 1
36 1 5 SER HA 1 66 ASN HD22 . . 3.800 3.196 2.997 3.487 . 0 0 "[ . 1 . 2 . 3]" 1
37 1 5 SER HA 1 68 THR HA . . 2.900 1.944 1.913 1.964 . 0 0 "[ . 1 . 2 . 3]" 1
38 1 5 SER HA 1 68 THR HB . . 5.000 1.986 1.964 2.027 . 0 0 "[ . 1 . 2 . 3]" 1
39 1 5 SER HA 1 68 THR MG . . 4.300 3.683 3.653 3.703 . 0 0 "[ . 1 . 2 . 3]" 1
40 1 5 SER HB2 1 6 ILE H . . 5.000 3.937 3.616 4.200 . 0 0 "[ . 1 . 2 . 3]" 1
41 1 5 SER HB2 1 68 THR HA . . 3.800 3.849 3.809 3.894 0.094 19 0 "[ . 1 . 2 . 3]" 1
42 1 5 SER HB2 1 68 THR MG . . 4.300 3.437 3.229 3.574 . 0 0 "[ . 1 . 2 . 3]" 1
43 1 5 SER HB3 1 6 ILE H . . 5.500 4.617 4.537 4.669 . 0 0 "[ . 1 . 2 . 3]" 1
44 1 5 SER HB3 1 68 THR HA . . 5.000 4.612 4.315 4.888 . 0 0 "[ . 1 . 2 . 3]" 1
45 1 5 SER HB3 1 68 THR MG . . 6.000 4.671 4.195 5.019 . 0 0 "[ . 1 . 2 . 3]" 1
46 1 6 ILE H 1 6 ILE HB . . 3.300 2.523 2.452 2.635 . 0 0 "[ . 1 . 2 . 3]" 1
47 1 6 ILE H 1 6 ILE QG . . 4.180 2.534 2.383 2.737 . 0 0 "[ . 1 . 2 . 3]" 1
48 1 6 ILE H 1 66 ASN HD21 . . 5.000 3.140 3.014 3.294 . 0 0 "[ . 1 . 2 . 3]" 1
49 1 6 ILE H 1 66 ASN HD22 . . 5.500 3.135 2.972 3.334 . 0 0 "[ . 1 . 2 . 3]" 1
50 1 6 ILE H 1 67 CYS H . . 3.300 3.198 2.837 3.338 0.038 6 0 "[ . 1 . 2 . 3]" 1
51 1 6 ILE H 1 67 CYS O . . 2.400 2.499 2.475 2.519 0.119 6 0 "[ . 1 . 2 . 3]" 1
52 1 6 ILE H 1 68 THR HA . . 5.000 2.569 2.418 2.723 . 0 0 "[ . 1 . 2 . 3]" 1
53 1 6 ILE H 1 68 THR MG . . 6.000 4.318 4.192 4.413 . 0 0 "[ . 1 . 2 . 3]" 1
54 1 6 ILE HA 1 7 LYS H . . 2.900 2.223 2.210 2.251 . 0 0 "[ . 1 . 2 . 3]" 1
55 1 6 ILE HB 1 11 TYR QE . . 5.500 2.425 2.196 2.697 . 0 0 "[ . 1 . 2 . 3]" 1
56 1 6 ILE HB 1 67 CYS HA . . 5.000 4.680 4.522 4.794 . 0 0 "[ . 1 . 2 . 3]" 1
57 1 6 ILE HB 1 67 CYS HB2 . . 5.000 3.780 3.559 3.977 . 0 0 "[ . 1 . 2 . 3]" 1
58 1 6 ILE HB 1 67 CYS HB3 . . 5.000 2.297 2.179 2.427 . 0 0 "[ . 1 . 2 . 3]" 1
59 1 6 ILE MD 1 11 TYR QE . . 6.500 2.718 2.272 3.034 . 0 0 "[ . 1 . 2 . 3]" 1
60 1 6 ILE MD 1 67 CYS QB . . 5.100 3.188 2.915 3.374 . 0 0 "[ . 1 . 2 . 3]" 1
61 1 6 ILE MD 1 88 ILE HB . . 6.000 2.496 2.314 2.630 . 0 0 "[ . 1 . 2 . 3]" 1
62 1 6 ILE MD 1 88 ILE MD . . 5.300 3.327 3.201 3.495 . 0 0 "[ . 1 . 2 . 3]" 1
63 1 6 ILE MD 1 88 ILE MG . . 4.700 2.186 1.744 2.762 . 0 0 "[ . 1 . 2 . 3]" 1
64 1 6 ILE MD 1 90 GLY H . . 4.300 3.343 3.228 3.493 . 0 0 "[ . 1 . 2 . 3]" 1
65 1 6 ILE QG 1 67 CYS QB . . 5.800 3.934 3.695 4.165 . 0 0 "[ . 1 . 2 . 3]" 1
66 1 6 ILE MG 1 7 LYS H . . 4.300 2.388 2.115 2.582 . 0 0 "[ . 1 . 2 . 3]" 1
67 1 6 ILE MG 1 8 ALA H . . 6.500 3.794 3.575 4.040 . 0 0 "[ . 1 . 2 . 3]" 1
68 1 6 ILE MG 1 11 TYR QE . . 5.900 1.974 1.824 2.087 . 0 0 "[ . 1 . 2 . 3]" 1
69 1 6 ILE MG 1 67 CYS QB . . 5.100 3.155 2.926 3.319 . 0 0 "[ . 1 . 2 . 3]" 1
70 1 6 ILE MG 1 88 ILE MG . . 5.300 2.981 2.705 3.289 . 0 0 "[ . 1 . 2 . 3]" 1
71 1 6 ILE MG 1 90 GLY H . . 6.000 2.835 2.239 3.262 . 0 0 "[ . 1 . 2 . 3]" 1
72 1 6 ILE MG 1 90 GLY HA2 . . 4.300 3.215 2.882 3.648 . 0 0 "[ . 1 . 2 . 3]" 1
73 1 6 ILE MG 1 90 GLY HA3 . . 3.700 2.553 2.210 2.960 . 0 0 "[ . 1 . 2 . 3]" 1
74 1 6 ILE N 1 67 CYS O . 2.700 3.400 3.401 3.345 3.431 0.031 11 0 "[ . 1 . 2 . 3]" 1
75 1 6 ILE O 1 66 ASN HD21 . . 2.500 2.585 2.560 2.605 0.105 2 0 "[ . 1 . 2 . 3]" 1
76 1 6 ILE O 1 66 ASN ND2 . 2.700 3.200 2.865 2.820 2.938 . 0 0 "[ . 1 . 2 . 3]" 1
77 1 6 ILE O 1 67 CYS H . . 2.400 1.746 1.657 1.793 0.143 30 0 "[ . 1 . 2 . 3]" 1
78 1 6 ILE O 1 67 CYS N . 2.700 3.200 2.621 2.587 2.659 0.113 10 0 "[ . 1 . 2 . 3]" 1
79 1 7 LYS H 1 8 ALA H . . 5.500 4.062 4.039 4.082 . 0 0 "[ . 1 . 2 . 3]" 1
80 1 7 LYS HA 1 8 ALA H . . 2.900 2.182 2.178 2.185 . 0 0 "[ . 1 . 2 . 3]" 1
81 1 7 LYS HA 1 66 ASN HA . . 3.300 2.417 2.350 2.485 . 0 0 "[ . 1 . 2 . 3]" 1
82 1 7 LYS HA 1 67 CYS H . . 3.500 3.418 3.314 3.596 0.096 30 0 "[ . 1 . 2 . 3]" 1
83 1 7 LYS QB 1 8 ALA H . . 4.300 3.749 3.569 3.804 . 0 0 "[ . 1 . 2 . 3]" 1
84 1 7 LYS QB 1 66 ASN HD21 . . 5.800 4.915 4.652 5.247 . 0 0 "[ . 1 . 2 . 3]" 1
85 1 7 LYS QB 1 66 ASN HD22 . . 6.300 4.316 4.004 4.837 . 0 0 "[ . 1 . 2 . 3]" 1
86 1 7 LYS QG 1 8 ALA H . . 5.800 3.563 3.344 4.186 . 0 0 "[ . 1 . 2 . 3]" 1
87 1 7 LYS QG 1 66 ASN HD21 . . 4.100 3.449 2.836 3.604 . 0 0 "[ . 1 . 2 . 3]" 1
88 1 7 LYS QG 1 66 ASN HD22 . . 5.800 3.112 2.578 3.397 . 0 0 "[ . 1 . 2 . 3]" 1
89 1 8 ALA H 1 11 TYR QE . . 5.500 2.828 2.212 3.396 . 0 0 "[ . 1 . 2 . 3]" 1
90 1 8 ALA H 1 65 TYR H . . 3.300 3.329 3.247 3.398 0.098 21 0 "[ . 1 . 2 . 3]" 1
91 1 8 ALA H 1 65 TYR O . . 2.400 2.228 2.142 2.296 . 0 0 "[ . 1 . 2 . 3]" 1
92 1 8 ALA H 1 66 ASN HA . . 3.800 3.856 3.825 3.917 0.117 30 0 "[ . 1 . 2 . 3]" 1
93 1 8 ALA HA 1 9 LYS H . . 2.900 2.466 2.462 2.471 . 0 0 "[ . 1 . 2 . 3]" 1
94 1 8 ALA HA 1 10 ASN H . . 5.500 4.137 4.020 4.256 . 0 0 "[ . 1 . 2 . 3]" 1
95 1 8 ALA HA 1 64 LYS QD . . 4.100 2.830 1.781 3.774 . 0 0 "[ . 1 . 2 . 3]" 1
96 1 8 ALA HA 1 64 LYS QE . . 4.100 3.008 1.768 3.745 . 0 0 "[ . 1 . 2 . 3]" 1
97 1 8 ALA HA 1 64 LYS QG . . 4.180 3.240 2.811 3.627 . 0 0 "[ . 1 . 2 . 3]" 1
98 1 8 ALA N 1 65 TYR O . 2.700 3.200 3.182 3.086 3.240 0.040 3 0 "[ . 1 . 2 . 3]" 1
99 1 8 ALA O 1 65 TYR H . . 2.400 2.022 1.908 2.226 . 0 0 "[ . 1 . 2 . 3]" 1
100 1 8 ALA O 1 65 TYR N . 2.700 3.200 2.852 2.689 3.065 0.011 2 0 "[ . 1 . 2 . 3]" 1
101 1 9 LYS H 1 10 ASN H . . 2.900 2.274 2.222 2.345 . 0 0 "[ . 1 . 2 . 3]" 1
102 1 9 LYS HA 1 61 PHE QD . . 7.200 3.608 3.348 3.827 . 0 0 "[ . 1 . 2 . 3]" 1
103 1 9 LYS HA 1 64 LYS HA . . 3.300 2.231 2.014 2.655 . 0 0 "[ . 1 . 2 . 3]" 1
104 1 9 LYS HA 1 65 TYR H . . 5.000 2.752 2.589 2.912 . 0 0 "[ . 1 . 2 . 3]" 1
105 1 9 LYS QB 1 10 ASN H . . 4.100 3.205 2.852 3.713 . 0 0 "[ . 1 . 2 . 3]" 1
106 1 9 LYS QB 1 10 ASN HD21 . . 6.300 4.003 3.163 5.129 . 0 0 "[ . 1 . 2 . 3]" 1
107 1 9 LYS QB 1 61 PHE QD . . 7.400 4.999 4.427 5.267 . 0 0 "[ . 1 . 2 . 3]" 1
108 1 9 LYS HB2 1 61 PHE QD . . 7.700 5.528 4.631 6.049 . 0 0 "[ . 1 . 2 . 3]" 1
109 1 9 LYS HB3 1 61 PHE QD . . 7.700 5.801 5.591 6.162 . 0 0 "[ . 1 . 2 . 3]" 1
110 1 9 LYS QD 1 60 GLN HE21 . . 4.100 3.059 2.097 3.610 . 0 0 "[ . 1 . 2 . 3]" 1
111 1 9 LYS QD 1 60 GLN HE22 . . 4.100 3.475 2.932 3.766 . 0 0 "[ . 1 . 2 . 3]" 1
112 1 9 LYS O 1 61 PHE H . . 2.400 1.996 1.778 2.313 0.022 12 0 "[ . 1 . 2 . 3]" 1
113 1 9 LYS O 1 61 PHE N . 2.700 3.200 2.929 2.722 3.247 0.047 29 0 "[ . 1 . 2 . 3]" 1
114 1 10 ASN H 1 10 ASN HB2 . . 3.300 2.753 2.679 2.783 . 0 0 "[ . 1 . 2 . 3]" 1
115 1 10 ASN H 1 10 ASN HD21 . . 3.300 2.625 2.194 3.053 . 0 0 "[ . 1 . 2 . 3]" 1
116 1 10 ASN HA 1 10 ASN HB3 . . 2.900 2.414 2.403 2.457 . 0 0 "[ . 1 . 2 . 3]" 1
117 1 10 ASN HA 1 11 TYR H . . 2.900 2.334 2.283 2.382 . 0 0 "[ . 1 . 2 . 3]" 1
118 1 10 ASN HA 1 58 LEU MD2 . . 6.000 3.715 3.387 3.959 . 0 0 "[ . 1 . 2 . 3]" 1
119 1 10 ASN HA 1 60 GLN HA . . 3.300 2.331 1.985 2.834 . 0 0 "[ . 1 . 2 . 3]" 1
120 1 10 ASN HA 1 61 PHE H . . 5.000 3.532 3.126 4.089 . 0 0 "[ . 1 . 2 . 3]" 1
121 1 10 ASN HA 1 97 VAL QG . . 7.200 4.926 3.896 5.277 . 0 0 "[ . 1 . 2 . 3]" 1
122 1 10 ASN HB2 1 11 TYR H . . 5.500 3.826 3.686 3.997 . 0 0 "[ . 1 . 2 . 3]" 1
123 1 10 ASN HB2 1 58 LEU MD2 . . 6.000 3.500 3.104 4.082 . 0 0 "[ . 1 . 2 . 3]" 1
124 1 10 ASN HB2 1 97 VAL QG . . 5.500 3.583 3.393 3.766 . 0 0 "[ . 1 . 2 . 3]" 1
125 1 10 ASN HB3 1 11 TYR H . . 3.300 3.100 2.938 3.311 0.011 7 0 "[ . 1 . 2 . 3]" 1
126 1 10 ASN HB3 1 58 LEU MD2 . . 6.000 2.342 2.048 2.810 . 0 0 "[ . 1 . 2 . 3]" 1
127 1 10 ASN QD 1 97 VAL QG . . 7.200 3.349 3.041 3.597 . 0 0 "[ . 1 . 2 . 3]" 1
128 1 10 ASN HD21 1 91 ALA O . . 2.400 2.262 2.173 2.394 . 0 0 "[ . 1 . 2 . 3]" 1
129 1 10 ASN ND2 1 91 ALA O . 2.700 3.200 3.237 3.162 3.321 0.121 27 0 "[ . 1 . 2 . 3]" 1
130 1 10 ASN O 1 91 ALA H . . 2.400 2.046 1.789 2.361 0.011 19 0 "[ . 1 . 2 . 3]" 1
131 1 10 ASN O 1 91 ALA N . 2.700 3.200 2.982 2.723 3.256 0.056 10 0 "[ . 1 . 2 . 3]" 1
132 1 11 TYR H 1 11 TYR HB3 . . 3.800 3.466 3.431 3.505 . 0 0 "[ . 1 . 2 . 3]" 1
133 1 11 TYR H 1 58 LEU HA . . 5.500 4.388 4.194 4.645 . 0 0 "[ . 1 . 2 . 3]" 1
134 1 11 TYR H 1 58 LEU MD2 . . 6.000 2.929 2.612 3.211 . 0 0 "[ . 1 . 2 . 3]" 1
135 1 11 TYR H 1 59 ILE H . . 5.000 3.012 2.836 3.327 . 0 0 "[ . 1 . 2 . 3]" 1
136 1 11 TYR H 1 59 ILE HB . . 5.000 3.853 3.624 4.298 . 0 0 "[ . 1 . 2 . 3]" 1
137 1 11 TYR H 1 59 ILE O . . 2.400 2.038 1.796 2.339 0.004 23 0 "[ . 1 . 2 . 3]" 1
138 1 11 TYR H 1 60 GLN HA . . 5.000 3.651 3.458 3.842 . 0 0 "[ . 1 . 2 . 3]" 1
139 1 11 TYR HA 1 12 PHE H . . 2.900 2.256 2.217 2.278 . 0 0 "[ . 1 . 2 . 3]" 1
140 1 11 TYR HA 1 90 GLY HA2 . . 2.900 2.772 2.603 2.913 0.013 20 0 "[ . 1 . 2 . 3]" 1
141 1 11 TYR HA 1 90 GLY HA3 . . 5.000 4.494 4.303 4.655 . 0 0 "[ . 1 . 2 . 3]" 1
142 1 11 TYR HA 1 91 ALA H . . 5.500 3.042 2.628 3.626 . 0 0 "[ . 1 . 2 . 3]" 1
143 1 11 TYR HB2 1 12 PHE H . . 5.000 4.367 4.315 4.458 . 0 0 "[ . 1 . 2 . 3]" 1
144 1 11 TYR HB3 1 12 PHE H . . 6.000 3.263 3.174 3.433 . 0 0 "[ . 1 . 2 . 3]" 1
145 1 11 TYR HB3 1 61 PHE QE . . 7.200 3.765 3.310 4.048 . 0 0 "[ . 1 . 2 . 3]" 1
146 1 11 TYR QD 1 57 ILE MG . . 8.700 6.548 6.475 6.605 . 0 0 "[ . 1 . 2 . 3]" 1
147 1 11 TYR QD 1 61 PHE QD . . 9.900 2.817 2.327 3.050 . 0 0 "[ . 1 . 2 . 3]" 1
148 1 11 TYR QD 1 61 PHE QE . . 9.400 2.107 1.990 2.721 . 0 0 "[ . 1 . 2 . 3]" 1
149 1 11 TYR QD 1 88 ILE MG . . 6.500 1.924 1.768 2.213 . 0 0 "[ . 1 . 2 . 3]" 1
150 1 11 TYR QE 1 61 PHE QD . . 9.400 4.197 3.746 4.473 . 0 0 "[ . 1 . 2 . 3]" 1
151 1 11 TYR QE 1 61 PHE QE . . 7.700 4.040 3.649 4.438 . 0 0 "[ . 1 . 2 . 3]" 1
152 1 11 TYR QE 1 65 TYR H . . 7.200 3.078 2.826 3.398 . 0 0 "[ . 1 . 2 . 3]" 1
153 1 11 TYR QE 1 65 TYR HA . . 7.200 4.296 4.142 4.510 . 0 0 "[ . 1 . 2 . 3]" 1
154 1 11 TYR QE 1 65 TYR HB2 . . 7.200 3.754 3.568 4.150 . 0 0 "[ . 1 . 2 . 3]" 1
155 1 11 TYR QE 1 65 TYR HB3 . . 7.200 2.092 1.984 2.471 . 0 0 "[ . 1 . 2 . 3]" 1
156 1 11 TYR QE 1 65 TYR QD . . 7.100 2.467 2.071 2.672 . 0 0 "[ . 1 . 2 . 3]" 1
157 1 11 TYR QE 1 65 TYR QE . . 7.700 4.050 3.798 4.361 . 0 0 "[ . 1 . 2 . 3]" 1
158 1 11 TYR QE 1 67 CYS HB2 . . 7.200 2.713 2.356 2.930 . 0 0 "[ . 1 . 2 . 3]" 1
159 1 11 TYR QE 1 67 CYS QB . . 6.350 1.953 1.864 2.126 . 0 0 "[ . 1 . 2 . 3]" 1
160 1 11 TYR QE 1 67 CYS HB3 . . 7.200 2.004 1.953 2.192 . 0 0 "[ . 1 . 2 . 3]" 1
161 1 11 TYR QE 1 73 PHE QE . . 9.400 3.874 3.600 4.313 . 0 0 "[ . 1 . 2 . 3]" 1
162 1 11 TYR QE 1 88 ILE MD . . 8.200 4.405 3.950 4.843 . 0 0 "[ . 1 . 2 . 3]" 1
163 1 11 TYR QE 1 88 ILE MG . . 5.900 2.108 1.957 2.361 . 0 0 "[ . 1 . 2 . 3]" 1
164 1 11 TYR N 1 59 ILE O . 2.700 3.200 2.994 2.743 3.277 0.077 30 0 "[ . 1 . 2 . 3]" 1
165 1 11 TYR O 1 59 ILE H . . 2.400 2.133 1.973 2.264 . 0 0 "[ . 1 . 2 . 3]" 1
166 1 11 TYR O 1 59 ILE N . 2.700 3.200 3.100 2.941 3.240 0.040 14 0 "[ . 1 . 2 . 3]" 1
167 1 11 TYR OH 1 65 TYR O . 2.700 3.200 2.766 2.555 3.042 0.145 16 0 "[ . 1 . 2 . 3]" 1
168 1 12 PHE H 1 12 PHE HB3 . . 3.800 3.494 3.409 3.549 . 0 0 "[ . 1 . 2 . 3]" 1
169 1 12 PHE H 1 89 GLN O . . 2.400 1.842 1.766 1.920 0.034 1 0 "[ . 1 . 2 . 3]" 1
170 1 12 PHE H 1 90 GLY H . . 5.000 4.943 4.874 5.049 0.049 29 0 "[ . 1 . 2 . 3]" 1
171 1 12 PHE H 1 90 GLY HA2 . . 5.500 3.981 3.714 4.124 . 0 0 "[ . 1 . 2 . 3]" 1
172 1 12 PHE HA 1 13 LEU H . . 2.900 2.198 2.193 2.206 . 0 0 "[ . 1 . 2 . 3]" 1
173 1 12 PHE HA 1 58 LEU HA . . 5.000 2.712 2.545 2.897 . 0 0 "[ . 1 . 2 . 3]" 1
174 1 12 PHE HA 1 58 LEU MD2 . . 4.300 3.154 2.823 3.426 . 0 0 "[ . 1 . 2 . 3]" 1
175 1 12 PHE HA 1 59 ILE H . . 5.500 3.797 3.638 3.942 . 0 0 "[ . 1 . 2 . 3]" 1
176 1 12 PHE HB2 1 13 LEU H . . 5.000 4.487 4.409 4.541 . 0 0 "[ . 1 . 2 . 3]" 1
177 1 12 PHE HB2 1 58 LEU MD2 . . 6.500 4.318 4.042 4.586 . 0 0 "[ . 1 . 2 . 3]" 1
178 1 12 PHE HB3 1 13 LEU H . . 5.500 3.566 3.452 3.664 . 0 0 "[ . 1 . 2 . 3]" 1
179 1 12 PHE HB3 1 58 LEU MD2 . . 6.000 4.507 4.110 4.769 . 0 0 "[ . 1 . 2 . 3]" 1
180 1 12 PHE QD 1 13 LEU H . . 7.200 3.967 3.680 4.270 . 0 0 "[ . 1 . 2 . 3]" 1
181 1 12 PHE QD 1 58 LEU MD2 . . 6.500 2.951 2.708 3.174 . 0 0 "[ . 1 . 2 . 3]" 1
182 1 12 PHE QE 1 97 VAL HA . . 7.700 4.298 3.795 4.471 . 0 0 "[ . 1 . 2 . 3]" 1
183 1 12 PHE QE 1 97 VAL QG . . 9.400 2.637 2.176 3.043 . 0 0 "[ . 1 . 2 . 3]" 1
184 1 12 PHE HZ 1 97 VAL HA . . 3.300 3.145 2.574 3.344 0.044 16 0 "[ . 1 . 2 . 3]" 1
185 1 12 PHE HZ 1 97 VAL QG . . 4.900 2.663 2.255 3.004 . 0 0 "[ . 1 . 2 . 3]" 1
186 1 12 PHE N 1 89 GLN O . 2.700 3.200 2.777 2.680 2.869 0.020 10 0 "[ . 1 . 2 . 3]" 1
187 1 12 PHE O 1 89 GLN H . . 2.400 2.331 2.145 2.418 0.018 26 0 "[ . 1 . 2 . 3]" 1
188 1 12 PHE O 1 89 GLN N . 2.700 3.200 3.047 2.882 3.209 0.009 21 0 "[ . 1 . 2 . 3]" 1
189 1 13 LEU H 1 13 LEU HB2 . . 3.300 2.546 2.454 2.691 . 0 0 "[ . 1 . 2 . 3]" 1
190 1 13 LEU H 1 57 ILE H . . 5.000 3.016 2.792 3.157 . 0 0 "[ . 1 . 2 . 3]" 1
191 1 13 LEU H 1 57 ILE O . . 2.400 2.176 1.931 2.342 . 0 0 "[ . 1 . 2 . 3]" 1
192 1 13 LEU H 1 58 LEU HA . . 5.500 3.922 3.682 4.147 . 0 0 "[ . 1 . 2 . 3]" 1
193 1 13 LEU HA 1 14 THR H . . 2.900 2.213 2.197 2.253 . 0 0 "[ . 1 . 2 . 3]" 1
194 1 13 LEU HA 1 88 ILE HA . . 3.300 3.206 2.985 3.326 0.026 7 0 "[ . 1 . 2 . 3]" 1
195 1 13 LEU HA 1 89 GLN H . . 5.500 4.025 3.839 4.176 . 0 0 "[ . 1 . 2 . 3]" 1
196 1 13 LEU HB2 1 14 THR H . . 5.500 4.155 3.983 4.278 . 0 0 "[ . 1 . 2 . 3]" 1
197 1 13 LEU HB2 1 57 ILE HB . . 3.300 1.983 1.930 2.014 . 0 0 "[ . 1 . 2 . 3]" 1
198 1 13 LEU HB3 1 14 THR H . . 3.300 3.233 3.058 3.316 0.016 23 0 "[ . 1 . 2 . 3]" 1
199 1 13 LEU HB3 1 57 ILE HB . . 5.500 3.680 3.581 3.749 . 0 0 "[ . 1 . 2 . 3]" 1
200 1 13 LEU MD1 1 59 ILE MD . . 7.000 3.941 3.501 4.206 . 0 0 "[ . 1 . 2 . 3]" 1
201 1 13 LEU MD1 1 73 PHE QD . . 6.500 2.822 2.615 3.192 . 0 0 "[ . 1 . 2 . 3]" 1
202 1 13 LEU MD1 1 88 ILE MD . . 5.300 3.657 3.534 3.720 . 0 0 "[ . 1 . 2 . 3]" 1
203 1 13 LEU MD1 1 88 ILE MG . . 4.700 2.575 2.258 2.906 . 0 0 "[ . 1 . 2 . 3]" 1
204 1 13 LEU MD1 1 89 GLN H . . 6.000 3.042 2.837 3.395 . 0 0 "[ . 1 . 2 . 3]" 1
205 1 13 LEU MD2 1 57 ILE HB . . 6.000 2.456 2.126 2.790 . 0 0 "[ . 1 . 2 . 3]" 1
206 1 13 LEU MD2 1 57 ILE MD . . 5.300 3.265 3.139 3.385 . 0 0 "[ . 1 . 2 . 3]" 1
207 1 13 LEU MD2 1 57 ILE MG . . 5.300 1.931 1.757 2.154 . 0 0 "[ . 1 . 2 . 3]" 1
208 1 13 LEU MD2 1 73 PHE QD . . 6.500 3.271 2.709 3.704 . 0 0 "[ . 1 . 2 . 3]" 1
209 1 13 LEU MD2 1 88 ILE MG . . 7.000 4.133 3.562 4.506 . 0 0 "[ . 1 . 2 . 3]" 1
210 1 13 LEU N 1 57 ILE O . 2.700 3.200 3.060 2.852 3.223 0.023 30 0 "[ . 1 . 2 . 3]" 1
211 1 13 LEU O 1 57 ILE H . . 2.400 2.406 2.234 2.472 0.072 30 0 "[ . 1 . 2 . 3]" 1
212 1 13 LEU O 1 57 ILE N . 2.700 3.200 3.148 2.972 3.223 0.023 11 0 "[ . 1 . 2 . 3]" 1
213 1 14 THR H 1 14 THR HB . . 3.300 2.733 2.600 3.358 0.058 13 0 "[ . 1 . 2 . 3]" 1
214 1 14 THR H 1 15 TYR H . . 5.500 4.315 4.239 4.437 . 0 0 "[ . 1 . 2 . 3]" 1
215 1 14 THR H 1 87 ASN H . . 3.300 2.226 1.893 2.426 . 0 0 "[ . 1 . 2 . 3]" 1
216 1 14 THR H 1 87 ASN QB . . 4.100 2.934 2.605 3.130 . 0 0 "[ . 1 . 2 . 3]" 1
217 1 14 THR H 1 87 ASN O . . 2.400 2.407 2.358 2.454 0.054 9 0 "[ . 1 . 2 . 3]" 1
218 1 14 THR H 1 88 ILE HA . . 5.500 4.553 4.403 4.654 . 0 0 "[ . 1 . 2 . 3]" 1
219 1 14 THR HA 1 15 TYR H . . 2.900 2.157 2.149 2.209 . 0 0 "[ . 1 . 2 . 3]" 1
220 1 14 THR HA 1 56 HIS HA . . 3.300 3.198 2.936 3.333 0.033 7 0 "[ . 1 . 2 . 3]" 1
221 1 14 THR HA 1 57 ILE H . . 5.500 4.215 4.036 4.355 . 0 0 "[ . 1 . 2 . 3]" 1
222 1 14 THR HB 1 15 TYR H . . 5.500 4.254 3.607 4.410 . 0 0 "[ . 1 . 2 . 3]" 1
223 1 14 THR HB 1 87 ASN QB . . 3.500 2.288 1.978 3.111 . 0 0 "[ . 1 . 2 . 3]" 1
224 1 14 THR MG 1 54 HIS HD2 . . 4.300 2.520 1.940 3.453 . 0 0 "[ . 1 . 2 . 3]" 1
225 1 14 THR MG 1 56 HIS HA . . 6.000 3.957 3.167 4.268 . 0 0 "[ . 1 . 2 . 3]" 1
226 1 14 THR MG 1 56 HIS HD2 . . 6.000 4.848 4.780 4.911 . 0 0 "[ . 1 . 2 . 3]" 1
227 1 14 THR MG 1 56 HIS HE1 . . 3.900 2.800 1.957 2.983 . 0 0 "[ . 1 . 2 . 3]" 1
228 1 14 THR MG 1 87 ASN QB . . 7.300 3.695 3.476 3.995 . 0 0 "[ . 1 . 2 . 3]" 1
229 1 14 THR N 1 87 ASN O . 2.700 3.200 3.234 3.200 3.287 0.087 24 0 "[ . 1 . 2 . 3]" 1
230 1 14 THR O 1 87 ASN H . . 2.400 2.080 1.983 2.295 . 0 0 "[ . 1 . 2 . 3]" 1
231 1 14 THR O 1 87 ASN N . 2.700 3.200 3.006 2.886 3.207 0.007 10 0 "[ . 1 . 2 . 3]" 1
232 1 15 TYR H 1 15 TYR HB2 . . 3.300 2.512 2.434 2.659 . 0 0 "[ . 1 . 2 . 3]" 1
233 1 15 TYR H 1 55 LEU H . . 5.000 2.805 2.610 3.118 . 0 0 "[ . 1 . 2 . 3]" 1
234 1 15 TYR H 1 55 LEU O . . 2.400 2.206 2.109 2.288 . 0 0 "[ . 1 . 2 . 3]" 1
235 1 15 TYR H 1 56 HIS HA . . 5.500 4.037 3.860 4.185 . 0 0 "[ . 1 . 2 . 3]" 1
236 1 15 TYR HA 1 16 PRO HD2 . . 3.300 2.187 2.185 2.190 . 0 0 "[ . 1 . 2 . 3]" 1
237 1 15 TYR HA 1 16 PRO HD3 . . 3.300 2.145 2.123 2.183 . 0 0 "[ . 1 . 2 . 3]" 1
238 1 15 TYR HA 1 55 LEU QB . . 6.300 4.807 4.615 5.141 . 0 0 "[ . 1 . 2 . 3]" 1
239 1 15 TYR HA 1 87 ASN H . . 5.000 4.106 3.965 4.281 . 0 0 "[ . 1 . 2 . 3]" 1
240 1 15 TYR QB 1 17 LYS H . . 6.300 5.409 5.236 5.587 . 0 0 "[ . 1 . 2 . 3]" 1
241 1 15 TYR QB 1 55 LEU QB . . 4.900 2.096 1.936 2.487 . 0 0 "[ . 1 . 2 . 3]" 1
242 1 15 TYR QD 1 57 ILE MD . . 8.700 3.948 3.585 4.402 . 0 0 "[ . 1 . 2 . 3]" 1
243 1 15 TYR QD 1 57 ILE MG . . 8.700 5.524 5.384 5.627 . 0 0 "[ . 1 . 2 . 3]" 1
244 1 15 TYR QE 1 55 LEU HA . . 7.200 5.993 5.588 6.177 . 0 0 "[ . 1 . 2 . 3]" 1
245 1 15 TYR QE 1 57 ILE MD . . 6.500 2.358 1.962 2.839 . 0 0 "[ . 1 . 2 . 3]" 1
246 1 15 TYR QE 1 57 ILE MG . . 6.500 3.654 3.503 3.789 . 0 0 "[ . 1 . 2 . 3]" 1
247 1 15 TYR QE 1 75 LEU MD1 . . 6.100 1.767 1.747 1.911 . 0 0 "[ . 1 . 2 . 3]" 1
248 1 15 TYR QE 1 75 LEU MD2 . . 6.100 3.736 3.459 4.101 . 0 0 "[ . 1 . 2 . 3]" 1
249 1 15 TYR N 1 55 LEU O . 2.700 3.200 3.187 3.082 3.274 0.074 24 0 "[ . 1 . 2 . 3]" 1
250 1 15 TYR O 1 55 LEU H . . 2.400 2.364 2.248 2.447 0.047 23 0 "[ . 1 . 2 . 3]" 1
251 1 15 TYR O 1 55 LEU N . 2.700 3.200 3.206 3.080 3.282 0.082 30 0 "[ . 1 . 2 . 3]" 1
252 1 16 PRO HA 1 17 LYS H . . 2.900 2.191 2.162 2.233 . 0 0 "[ . 1 . 2 . 3]" 1
253 1 16 PRO HA 1 54 HIS HA . . 3.500 3.412 3.218 3.535 0.035 11 0 "[ . 1 . 2 . 3]" 1
254 1 16 PRO HA 1 54 HIS HD2 . . 3.300 3.360 3.299 3.414 0.114 3 0 "[ . 1 . 2 . 3]" 1
255 1 16 PRO HD2 1 86 PRO HA . . 5.000 3.731 3.438 4.063 . 0 0 "[ . 1 . 2 . 3]" 1
256 1 16 PRO HD3 1 86 PRO HA . . 5.000 3.573 3.236 3.987 . 0 0 "[ . 1 . 2 . 3]" 1
257 1 17 LYS H 1 17 LYS HA . . 2.900 2.241 2.230 2.246 . 0 0 "[ . 1 . 2 . 3]" 1
258 1 17 LYS H 1 17 LYS QG . . 4.100 3.258 2.042 3.847 . 0 0 "[ . 1 . 2 . 3]" 1
259 1 17 LYS H 1 18 CYS H . . 5.000 3.020 2.929 3.116 . 0 0 "[ . 1 . 2 . 3]" 1
260 1 17 LYS H 1 54 HIS HA . . 5.000 3.335 3.164 3.605 . 0 0 "[ . 1 . 2 . 3]" 1
261 1 17 LYS HA 1 18 CYS H . . 2.900 2.733 2.604 2.886 . 0 0 "[ . 1 . 2 . 3]" 1
262 1 18 CYS H 1 54 HIS HA . . 3.800 2.977 2.787 3.142 . 0 0 "[ . 1 . 2 . 3]" 1
263 1 18 CYS HA 1 19 ASP H . . 2.900 2.225 2.220 2.231 . 0 0 "[ . 1 . 2 . 3]" 1
264 1 18 CYS HA 1 20 LEU H . . 5.000 3.461 3.406 3.514 . 0 0 "[ . 1 . 2 . 3]" 1
265 1 18 CYS HA 1 84 PHE QD . . 5.500 4.502 4.011 4.913 . 0 0 "[ . 1 . 2 . 3]" 1
266 1 18 CYS HA 1 84 PHE QE . . 5.500 4.561 4.092 5.077 . 0 0 "[ . 1 . 2 . 3]" 1
267 1 18 CYS O 1 20 LEU H . . 2.600 2.690 2.666 2.757 0.157 29 0 "[ . 1 . 2 . 3]" 1
268 1 18 CYS O 1 20 LEU N . . 3.200 3.212 3.201 3.237 0.037 29 0 "[ . 1 . 2 . 3]" 1
269 1 19 ASP H 1 19 ASP HB3 . . 3.800 3.060 2.436 3.592 . 0 0 "[ . 1 . 2 . 3]" 1
270 1 19 ASP H 1 20 LEU H . . 3.300 2.656 2.604 2.677 . 0 0 "[ . 1 . 2 . 3]" 1
271 1 19 ASP HA 1 53 PRO QB . . 4.100 3.218 2.980 3.434 . 0 0 "[ . 1 . 2 . 3]" 1
272 1 19 ASP HA 1 53 PRO QG . . 3.500 3.092 2.972 3.257 . 0 0 "[ . 1 . 2 . 3]" 1
273 1 19 ASP HB3 1 20 LEU H . . 5.000 4.200 3.790 4.633 . 0 0 "[ . 1 . 2 . 3]" 1
274 1 20 LEU H 1 20 LEU QB . . 3.670 2.181 2.172 2.189 . 0 0 "[ . 1 . 2 . 3]" 1
275 1 20 LEU H 1 20 LEU MD1 . . 4.800 3.928 3.851 4.006 . 0 0 "[ . 1 . 2 . 3]" 1
276 1 20 LEU H 1 20 LEU HG . . 5.000 4.477 4.455 4.497 . 0 0 "[ . 1 . 2 . 3]" 1
277 1 20 LEU H 1 21 THR H . . 5.500 4.612 4.604 4.629 . 0 0 "[ . 1 . 2 . 3]" 1
278 1 20 LEU HA 1 21 THR H . . 2.900 2.227 2.218 2.244 . 0 0 "[ . 1 . 2 . 3]" 1
279 1 20 LEU HA 1 24 ASN QB . . 5.880 4.114 3.982 4.240 . 0 0 "[ . 1 . 2 . 3]" 1
280 1 20 LEU QB 1 21 THR H . . 4.180 3.719 3.684 3.738 . 0 0 "[ . 1 . 2 . 3]" 1
281 1 20 LEU QB 1 24 ASN QB . . 6.320 4.373 4.218 4.466 . 0 0 "[ . 1 . 2 . 3]" 1
282 1 20 LEU QB 1 25 ALA H . . 5.880 5.070 4.987 5.145 . 0 0 "[ . 1 . 2 . 3]" 1
283 1 20 LEU HB2 1 24 ASN HB2 . . 7.250 5.185 4.997 5.305 . 0 0 "[ . 1 . 2 . 3]" 1
284 1 20 LEU HB2 1 24 ASN HB3 . . 7.250 6.242 5.996 6.415 . 0 0 "[ . 1 . 2 . 3]" 1
285 1 20 LEU HB3 1 24 ASN HB2 . . 7.250 5.044 4.870 5.159 . 0 0 "[ . 1 . 2 . 3]" 1
286 1 20 LEU HB3 1 24 ASN HB3 . . 7.250 6.455 6.247 6.642 . 0 0 "[ . 1 . 2 . 3]" 1
287 1 20 LEU MD1 1 21 THR H . . 6.000 2.510 2.148 2.839 . 0 0 "[ . 1 . 2 . 3]" 1
288 1 20 LEU MD1 1 24 ASN HB2 . . 6.000 2.068 1.957 2.426 . 0 0 "[ . 1 . 2 . 3]" 1
289 1 20 LEU MD1 1 24 ASN QB . . 5.360 1.986 1.880 2.309 . 0 0 "[ . 1 . 2 . 3]" 1
290 1 20 LEU MD1 1 24 ASN HB3 . . 6.000 2.583 2.335 2.894 . 0 0 "[ . 1 . 2 . 3]" 1
291 1 20 LEU MD1 1 25 ALA H . . 6.500 3.886 3.825 4.059 . 0 0 "[ . 1 . 2 . 3]" 1
292 1 20 LEU MD1 1 25 ALA HA . . 6.500 4.295 4.086 4.392 . 0 0 "[ . 1 . 2 . 3]" 1
293 1 20 LEU MD1 1 75 LEU HB2 . . 6.000 4.849 4.596 4.963 . 0 0 "[ . 1 . 2 . 3]" 1
294 1 20 LEU MD1 1 75 LEU MD1 . . 7.500 4.931 4.752 5.116 . 0 0 "[ . 1 . 2 . 3]" 1
295 1 20 LEU MD1 1 75 LEU MD2 . . 5.500 3.449 3.346 3.591 . 0 0 "[ . 1 . 2 . 3]" 1
296 1 20 LEU MD1 1 77 SER HA . . 3.700 2.629 2.323 2.838 . 0 0 "[ . 1 . 2 . 3]" 1
297 1 20 LEU MD1 1 77 SER QB . . 5.300 3.592 3.372 3.679 . 0 0 "[ . 1 . 2 . 3]" 1
298 1 20 LEU MD1 1 78 PRO HD2 . . 4.300 3.059 2.723 3.354 . 0 0 "[ . 1 . 2 . 3]" 1
299 1 20 LEU MD1 1 78 PRO HD3 . . 4.300 2.646 2.317 2.965 . 0 0 "[ . 1 . 2 . 3]" 1
300 1 20 LEU MD1 1 84 PHE QD . . 8.700 3.198 2.840 3.579 . 0 0 "[ . 1 . 2 . 3]" 1
301 1 20 LEU MD1 1 84 PHE QE . . 6.500 2.491 2.083 2.770 . 0 0 "[ . 1 . 2 . 3]" 1
302 1 20 LEU MD1 1 84 PHE HZ . . 6.000 4.361 4.195 4.623 . 0 0 "[ . 1 . 2 . 3]" 1
303 1 20 LEU MD2 1 21 THR H . . 7.000 4.395 4.340 4.448 . 0 0 "[ . 1 . 2 . 3]" 1
304 1 20 LEU MD2 1 24 ASN QB . . 7.380 3.287 3.123 3.425 . 0 0 "[ . 1 . 2 . 3]" 1
305 1 20 LEU MD2 1 25 ALA HA . . 4.300 2.980 2.630 3.222 . 0 0 "[ . 1 . 2 . 3]" 1
306 1 20 LEU MD2 1 28 GLN HE21 . . 6.500 3.667 2.979 4.412 . 0 0 "[ . 1 . 2 . 3]" 1
307 1 20 LEU MD2 1 28 GLN HE22 . . 4.300 3.176 2.723 3.397 . 0 0 "[ . 1 . 2 . 3]" 1
308 1 20 LEU MD2 1 75 LEU HA . . 6.500 4.051 3.871 4.212 . 0 0 "[ . 1 . 2 . 3]" 1
309 1 20 LEU MD2 1 75 LEU HB2 . . 6.000 2.837 2.663 2.947 . 0 0 "[ . 1 . 2 . 3]" 1
310 1 20 LEU MD2 1 75 LEU HB3 . . 6.000 1.942 1.831 2.101 . 0 0 "[ . 1 . 2 . 3]" 1
311 1 20 LEU MD2 1 75 LEU MD1 . . 5.300 2.854 2.649 3.128 . 0 0 "[ . 1 . 2 . 3]" 1
312 1 20 LEU MD2 1 75 LEU MD2 . . 4.700 1.940 1.811 2.188 . 0 0 "[ . 1 . 2 . 3]" 1
313 1 20 LEU MD2 1 77 SER HA . . 6.500 4.456 4.334 4.620 . 0 0 "[ . 1 . 2 . 3]" 1
314 1 20 LEU MD2 1 77 SER QB . . 7.300 5.117 4.969 5.208 . 0 0 "[ . 1 . 2 . 3]" 1
315 1 20 LEU MD2 1 84 PHE QD . . 6.700 2.537 2.132 2.931 . 0 0 "[ . 1 . 2 . 3]" 1
316 1 20 LEU MD2 1 84 PHE QE . . 8.200 3.686 3.490 3.864 . 0 0 "[ . 1 . 2 . 3]" 1
317 1 20 LEU HG 1 21 THR H . . 5.500 2.877 2.753 3.014 . 0 0 "[ . 1 . 2 . 3]" 1
318 1 21 THR H 1 22 LYS H . . 5.500 4.607 4.597 4.620 . 0 0 "[ . 1 . 2 . 3]" 1
319 1 21 THR H 1 23 GLU H . . 5.500 4.950 4.894 5.000 . 0 0 "[ . 1 . 2 . 3]" 1
320 1 21 THR H 1 24 ASN H . . 5.500 3.823 3.765 3.863 . 0 0 "[ . 1 . 2 . 3]" 1
321 1 21 THR H 1 24 ASN QB . . 4.100 3.067 2.959 3.196 . 0 0 "[ . 1 . 2 . 3]" 1
322 1 21 THR H 1 24 ASN OD1 . . 2.400 2.462 2.414 2.515 0.115 21 0 "[ . 1 . 2 . 3]" 1
323 1 21 THR H 1 25 ALA H . . 5.500 4.277 4.203 4.325 . 0 0 "[ . 1 . 2 . 3]" 1
324 1 21 THR HA 1 22 LYS H . . 2.900 2.421 2.358 2.457 . 0 0 "[ . 1 . 2 . 3]" 1
325 1 21 THR HA 1 23 GLU H . . 5.000 4.092 4.017 4.132 . 0 0 "[ . 1 . 2 . 3]" 1
326 1 21 THR HB 1 22 LYS H . . 2.900 2.736 2.673 2.856 . 0 0 "[ . 1 . 2 . 3]" 1
327 1 21 THR HB 1 23 GLU H . . 3.300 3.021 2.999 3.048 . 0 0 "[ . 1 . 2 . 3]" 1
328 1 21 THR HB 1 24 ASN H . . 5.000 3.913 3.847 3.997 . 0 0 "[ . 1 . 2 . 3]" 1
329 1 21 THR HB 1 25 ALA H . . 5.500 5.453 5.415 5.509 0.009 20 0 "[ . 1 . 2 . 3]" 1
330 1 21 THR MG 1 22 LYS H . . 4.800 4.120 4.094 4.166 . 0 0 "[ . 1 . 2 . 3]" 1
331 1 21 THR MG 1 24 ASN H . . 6.000 3.837 3.820 3.852 . 0 0 "[ . 1 . 2 . 3]" 1
332 1 21 THR MG 1 24 ASN HD21 . . 6.000 4.574 4.432 4.768 . 0 0 "[ . 1 . 2 . 3]" 1
333 1 21 THR N 1 24 ASN OD1 . 2.700 3.300 3.379 3.337 3.431 0.131 21 0 "[ . 1 . 2 . 3]" 1
334 1 21 THR O 1 25 ALA H . . 2.400 1.974 1.868 2.029 . 0 0 "[ . 1 . 2 . 3]" 1
335 1 21 THR O 1 25 ALA N . . 3.200 2.949 2.853 3.001 . 0 0 "[ . 1 . 2 . 3]" 1
336 1 21 THR OG1 1 24 ASN H . . 2.400 2.106 2.052 2.154 . 0 0 "[ . 1 . 2 . 3]" 1
337 1 21 THR OG1 1 24 ASN N . 2.700 3.200 3.095 3.041 3.147 . 0 0 "[ . 1 . 2 . 3]" 1
338 1 22 LYS H 1 22 LYS HB3 . . 3.300 2.702 2.359 3.388 0.088 14 0 "[ . 1 . 2 . 3]" 1
339 1 22 LYS H 1 22 LYS QG . . 4.180 2.187 1.569 3.356 . 0 0 "[ . 1 . 2 . 3]" 1
340 1 22 LYS H 1 23 GLU H . . 2.900 2.498 2.472 2.580 . 0 0 "[ . 1 . 2 . 3]" 1
341 1 22 LYS H 1 24 ASN H . . 5.500 4.334 4.199 4.388 . 0 0 "[ . 1 . 2 . 3]" 1
342 1 22 LYS HA 1 25 ALA H . . 5.000 3.322 3.259 3.349 . 0 0 "[ . 1 . 2 . 3]" 1
343 1 22 LYS HA 1 26 LEU H . . 5.500 3.570 3.417 3.684 . 0 0 "[ . 1 . 2 . 3]" 1
344 1 22 LYS HA 1 43 ILE MG . . 3.700 2.218 1.950 2.491 . 0 0 "[ . 1 . 2 . 3]" 1
345 1 22 LYS HB2 1 23 GLU H . . 5.500 3.968 3.230 4.238 . 0 0 "[ . 1 . 2 . 3]" 1
346 1 22 LYS HB3 1 23 GLU H . . 5.000 4.190 3.612 4.333 . 0 0 "[ . 1 . 2 . 3]" 1
347 1 22 LYS O 1 26 LEU H . . 2.400 1.680 1.582 1.762 0.218 14 0 "[ . 1 . 2 . 3]" 1
348 1 22 LYS O 1 26 LEU N . 2.500 3.200 2.499 2.475 2.601 0.025 11 0 "[ . 1 . 2 . 3]" 1
349 1 23 GLU H 1 23 GLU HG2 . . 5.500 4.137 3.528 4.577 . 0 0 "[ . 1 . 2 . 3]" 1
350 1 23 GLU H 1 23 GLU HG3 . . 5.500 3.679 2.301 4.271 . 0 0 "[ . 1 . 2 . 3]" 1
351 1 23 GLU H 1 24 ASN H . . 2.900 2.679 2.628 2.703 . 0 0 "[ . 1 . 2 . 3]" 1
352 1 23 GLU H 1 25 ALA H . . 5.500 3.997 3.979 4.016 . 0 0 "[ . 1 . 2 . 3]" 1
353 1 23 GLU H 1 26 LEU H . . 5.500 4.290 4.263 4.362 . 0 0 "[ . 1 . 2 . 3]" 1
354 1 23 GLU H 1 108 LEU MD1 . . 6.000 4.047 3.706 4.710 . 0 0 "[ . 1 . 2 . 3]" 1
355 1 23 GLU HA 1 26 LEU H . . 5.000 3.376 3.321 3.466 . 0 0 "[ . 1 . 2 . 3]" 1
356 1 23 GLU HA 1 26 LEU HB2 . . 5.000 3.640 3.541 3.933 . 0 0 "[ . 1 . 2 . 3]" 1
357 1 23 GLU HA 1 26 LEU HB3 . . 3.300 2.334 2.220 2.492 . 0 0 "[ . 1 . 2 . 3]" 1
358 1 23 GLU HA 1 26 LEU MD1 . . 4.300 3.231 3.044 3.424 . 0 0 "[ . 1 . 2 . 3]" 1
359 1 23 GLU HA 1 27 SER H . . 5.500 3.869 3.616 3.997 . 0 0 "[ . 1 . 2 . 3]" 1
360 1 23 GLU HA 1 108 LEU MD1 . . 3.700 2.705 2.332 3.075 . 0 0 "[ . 1 . 2 . 3]" 1
361 1 23 GLU HA 1 108 LEU MD2 . . 6.000 4.824 4.555 5.135 . 0 0 "[ . 1 . 2 . 3]" 1
362 1 23 GLU QB 1 24 ASN H . . 4.100 2.609 2.519 2.730 . 0 0 "[ . 1 . 2 . 3]" 1
363 1 23 GLU QB 1 108 LEU MD1 . . 6.190 3.995 3.523 4.395 . 0 0 "[ . 1 . 2 . 3]" 1
364 1 23 GLU HB2 1 108 LEU MD1 . . 6.500 4.297 3.663 4.802 . 0 0 "[ . 1 . 2 . 3]" 1
365 1 23 GLU HB3 1 108 LEU MD1 . . 6.500 4.805 4.432 5.179 . 0 0 "[ . 1 . 2 . 3]" 1
366 1 23 GLU QG 1 108 LEU MD1 . . 5.150 2.739 2.185 3.253 . 0 0 "[ . 1 . 2 . 3]" 1
367 1 23 GLU QG 1 108 LEU MD2 . . 6.880 4.843 4.280 5.050 . 0 0 "[ . 1 . 2 . 3]" 1
368 1 23 GLU HG2 1 108 LEU MD1 . . 6.000 3.299 2.211 4.172 . 0 0 "[ . 1 . 2 . 3]" 1
369 1 23 GLU HG3 1 108 LEU MD1 . . 6.000 3.188 2.306 3.888 . 0 0 "[ . 1 . 2 . 3]" 1
370 1 23 GLU O 1 27 SER H . . 2.400 1.796 1.743 1.897 0.057 8 0 "[ . 1 . 2 . 3]" 1
371 1 23 GLU O 1 27 SER N . 2.700 3.200 2.723 2.653 2.829 0.047 14 0 "[ . 1 . 2 . 3]" 1
372 1 24 ASN H 1 24 ASN QB . . 3.700 2.616 2.569 2.663 . 0 0 "[ . 1 . 2 . 3]" 1
373 1 24 ASN H 1 24 ASN HD21 . . 5.500 2.877 2.670 3.200 . 0 0 "[ . 1 . 2 . 3]" 1
374 1 24 ASN H 1 24 ASN HD22 . . 6.000 3.319 3.145 3.570 . 0 0 "[ . 1 . 2 . 3]" 1
375 1 24 ASN H 1 25 ALA H . . 2.900 2.603 2.529 2.631 . 0 0 "[ . 1 . 2 . 3]" 1
376 1 24 ASN H 1 26 LEU H . . 5.500 3.839 3.795 3.906 . 0 0 "[ . 1 . 2 . 3]" 1
377 1 24 ASN HA 1 24 ASN HD21 . . 3.300 1.956 1.901 2.018 . 0 0 "[ . 1 . 2 . 3]" 1
378 1 24 ASN HA 1 27 SER H . . 3.500 3.394 3.297 3.468 . 0 0 "[ . 1 . 2 . 3]" 1
379 1 24 ASN HA 1 27 SER HA . . 5.500 5.465 5.264 5.567 0.067 20 0 "[ . 1 . 2 . 3]" 1
380 1 24 ASN HA 1 27 SER QB . . 3.700 2.822 2.441 3.280 . 0 0 "[ . 1 . 2 . 3]" 1
381 1 24 ASN HA 1 28 GLN H . . 5.500 3.868 3.663 3.992 . 0 0 "[ . 1 . 2 . 3]" 1
382 1 24 ASN HD21 1 78 PRO QG . . 4.100 3.439 3.140 3.596 . 0 0 "[ . 1 . 2 . 3]" 1
383 1 24 ASN HD22 1 78 PRO QG . . 4.100 3.618 3.401 3.674 . 0 0 "[ . 1 . 2 . 3]" 1
384 1 24 ASN O 1 28 GLN H . . 2.400 1.759 1.691 1.841 0.109 14 0 "[ . 1 . 2 . 3]" 1
385 1 24 ASN O 1 28 GLN N . 2.700 3.200 2.727 2.650 2.808 0.050 14 0 "[ . 1 . 2 . 3]" 1
386 1 25 ALA H 1 26 LEU H . . 2.900 2.539 2.511 2.592 . 0 0 "[ . 1 . 2 . 3]" 1
387 1 25 ALA H 1 27 SER H . . 5.500 4.094 3.952 4.185 . 0 0 "[ . 1 . 2 . 3]" 1
388 1 25 ALA H 1 43 ILE MD . . 6.500 4.541 4.316 4.787 . 0 0 "[ . 1 . 2 . 3]" 1
389 1 25 ALA H 1 55 LEU QD . . 7.700 4.745 4.043 5.103 . 0 0 "[ . 1 . 2 . 3]" 1
390 1 25 ALA HA 1 28 GLN H . . 5.000 3.392 3.280 3.474 . 0 0 "[ . 1 . 2 . 3]" 1
391 1 25 ALA HA 1 28 GLN HB2 . . 5.000 2.479 2.309 2.698 . 0 0 "[ . 1 . 2 . 3]" 1
392 1 25 ALA HA 1 28 GLN HB3 . . 5.500 4.024 3.843 4.255 . 0 0 "[ . 1 . 2 . 3]" 1
393 1 25 ALA HA 1 75 LEU MD1 . . 4.300 3.485 3.425 3.552 . 0 0 "[ . 1 . 2 . 3]" 1
394 1 25 ALA HA 1 75 LEU MD2 . . 4.300 1.908 1.777 2.201 . 0 0 "[ . 1 . 2 . 3]" 1
395 1 25 ALA O 1 29 ILE H . . 2.400 1.694 1.641 1.863 0.159 16 0 "[ . 1 . 2 . 3]" 1
396 1 25 ALA O 1 29 ILE N . 2.700 3.200 2.633 2.593 2.715 0.107 6 0 "[ . 1 . 2 . 3]" 1
397 1 26 LEU H 1 26 LEU HB2 . . 3.300 2.699 2.616 2.775 . 0 0 "[ . 1 . 2 . 3]" 1
398 1 26 LEU H 1 26 LEU HB3 . . 3.300 2.235 2.177 2.303 . 0 0 "[ . 1 . 2 . 3]" 1
399 1 26 LEU H 1 26 LEU HG . . 5.000 4.555 4.537 4.567 . 0 0 "[ . 1 . 2 . 3]" 1
400 1 26 LEU H 1 27 SER H . . 2.900 2.567 2.529 2.622 . 0 0 "[ . 1 . 2 . 3]" 1
401 1 26 LEU H 1 27 SER QB . . 6.300 4.421 4.241 4.735 . 0 0 "[ . 1 . 2 . 3]" 1
402 1 26 LEU H 1 28 GLN H . . 5.500 4.027 3.914 4.132 . 0 0 "[ . 1 . 2 . 3]" 1
403 1 26 LEU H 1 29 ILE H . . 5.500 4.463 4.404 4.500 . 0 0 "[ . 1 . 2 . 3]" 1
404 1 26 LEU H 1 43 ILE MD . . 4.300 2.975 2.811 3.206 . 0 0 "[ . 1 . 2 . 3]" 1
405 1 26 LEU HA 1 29 ILE H . . 5.500 3.570 3.406 3.643 . 0 0 "[ . 1 . 2 . 3]" 1
406 1 26 LEU HA 1 29 ILE HB . . 5.000 2.621 2.390 2.774 . 0 0 "[ . 1 . 2 . 3]" 1
407 1 26 LEU HA 1 30 THR H . . 5.500 3.540 3.320 4.332 . 0 0 "[ . 1 . 2 . 3]" 1
408 1 26 LEU HA 1 43 ILE MD . . 3.700 1.998 1.824 2.369 . 0 0 "[ . 1 . 2 . 3]" 1
409 1 26 LEU HB2 1 27 SER H . . 5.500 4.084 3.991 4.139 . 0 0 "[ . 1 . 2 . 3]" 1
410 1 26 LEU HB2 1 43 ILE MD . . 4.300 1.817 1.758 1.882 . 0 0 "[ . 1 . 2 . 3]" 1
411 1 26 LEU HB3 1 27 SER H . . 3.300 2.786 2.656 2.895 . 0 0 "[ . 1 . 2 . 3]" 1
412 1 26 LEU HB3 1 43 ILE MD . . 4.300 3.165 3.075 3.267 . 0 0 "[ . 1 . 2 . 3]" 1
413 1 26 LEU MD1 1 30 THR MG . . 5.300 3.268 3.083 3.437 . 0 0 "[ . 1 . 2 . 3]" 1
414 1 26 LEU MD1 1 41 ILE MD . . 7.500 4.738 4.387 4.940 . 0 0 "[ . 1 . 2 . 3]" 1
415 1 26 LEU MD1 1 41 ILE MG . . 7.500 4.686 4.301 5.017 . 0 0 "[ . 1 . 2 . 3]" 1
416 1 26 LEU MD1 1 43 ILE MD . . 5.500 3.872 3.720 3.937 . 0 0 "[ . 1 . 2 . 3]" 1
417 1 26 LEU MD1 1 110 TRP QB . . 6.800 3.817 3.412 4.131 . 0 0 "[ . 1 . 2 . 3]" 1
418 1 26 LEU MD1 1 110 TRP HD1 . . 4.300 3.349 3.097 3.476 . 0 0 "[ . 1 . 2 . 3]" 1
419 1 26 LEU MD2 1 30 THR MG . . 4.700 3.019 2.734 3.226 . 0 0 "[ . 1 . 2 . 3]" 1
420 1 26 LEU MD2 1 41 ILE MD . . 4.700 2.957 2.569 3.209 . 0 0 "[ . 1 . 2 . 3]" 1
421 1 26 LEU MD2 1 41 ILE MG . . 5.300 2.380 2.015 2.792 . 0 0 "[ . 1 . 2 . 3]" 1
422 1 26 LEU MD2 1 43 ILE MD . . 4.700 2.232 1.861 2.438 . 0 0 "[ . 1 . 2 . 3]" 1
423 1 26 LEU MD2 1 110 TRP QB . . 6.800 2.271 1.968 2.510 . 0 0 "[ . 1 . 2 . 3]" 1
424 1 26 LEU MD2 1 110 TRP HD1 . . 6.000 3.058 2.670 3.625 . 0 0 "[ . 1 . 2 . 3]" 1
425 1 26 LEU HG 1 27 SER H . . 5.000 4.841 4.704 4.986 . 0 0 "[ . 1 . 2 . 3]" 1
426 1 26 LEU HG 1 30 THR MG . . 6.500 5.292 5.139 5.357 . 0 0 "[ . 1 . 2 . 3]" 1
427 1 26 LEU HG 1 43 ILE MD . . 6.000 3.151 2.813 3.400 . 0 0 "[ . 1 . 2 . 3]" 1
428 1 26 LEU O 1 30 THR H . . 2.400 1.770 1.658 2.288 0.142 8 0 "[ . 1 . 2 . 3]" 1
429 1 26 LEU O 1 30 THR N . 2.700 3.200 2.686 2.604 3.142 0.096 8 0 "[ . 1 . 2 . 3]" 1
430 1 27 SER H 1 27 SER QB . . 3.500 2.223 2.012 2.529 . 0 0 "[ . 1 . 2 . 3]" 1
431 1 27 SER H 1 28 GLN H . . 2.900 2.615 2.529 2.678 . 0 0 "[ . 1 . 2 . 3]" 1
432 1 27 SER H 1 29 ILE H . . 5.500 4.092 3.927 4.147 . 0 0 "[ . 1 . 2 . 3]" 1
433 1 27 SER HA 1 30 THR H . . 5.000 3.583 3.337 3.719 . 0 0 "[ . 1 . 2 . 3]" 1
434 1 27 SER HA 1 30 THR HB . . 5.000 2.675 2.430 4.001 . 0 0 "[ . 1 . 2 . 3]" 1
435 1 27 SER HA 1 30 THR MG . . 6.500 3.847 3.593 4.148 . 0 0 "[ . 1 . 2 . 3]" 1
436 1 27 SER QB 1 28 GLN H . . 4.100 2.841 2.508 3.397 . 0 0 "[ . 1 . 2 . 3]" 1
437 1 27 SER QB 1 30 THR MG . . 7.300 5.229 4.909 5.410 . 0 0 "[ . 1 . 2 . 3]" 1
438 1 27 SER QB 1 31 ASN H . . 6.300 4.927 4.594 5.488 . 0 0 "[ . 1 . 2 . 3]" 1
439 1 27 SER O 1 31 ASN H . . 2.400 1.918 1.788 2.344 0.012 20 0 "[ . 1 . 2 . 3]" 1
440 1 27 SER O 1 31 ASN N . 2.700 3.200 2.768 2.629 3.246 0.071 15 0 "[ . 1 . 2 . 3]" 1
441 1 28 GLN H 1 28 GLN HB2 . . 3.300 2.247 2.214 2.340 . 0 0 "[ . 1 . 2 . 3]" 1
442 1 28 GLN H 1 29 ILE H . . 2.900 2.650 2.535 2.684 . 0 0 "[ . 1 . 2 . 3]" 1
443 1 28 GLN H 1 30 THR H . . 5.000 4.041 4.008 4.067 . 0 0 "[ . 1 . 2 . 3]" 1
444 1 28 GLN H 1 31 ASN H . . 5.500 4.482 4.387 4.872 . 0 0 "[ . 1 . 2 . 3]" 1
445 1 28 GLN HA 1 31 ASN H . . 5.000 3.360 3.224 3.438 . 0 0 "[ . 1 . 2 . 3]" 1
446 1 28 GLN HA 1 31 ASN QB . . 4.100 2.537 2.395 3.024 . 0 0 "[ . 1 . 2 . 3]" 1
447 1 28 GLN HB2 1 29 ILE H . . 5.000 2.693 2.588 2.921 . 0 0 "[ . 1 . 2 . 3]" 1
448 1 28 GLN HB3 1 29 ILE H . . 5.500 3.415 3.331 3.682 . 0 0 "[ . 1 . 2 . 3]" 1
449 1 28 GLN HE21 1 76 VAL H . . 5.000 3.249 2.010 4.729 . 0 0 "[ . 1 . 2 . 3]" 1
450 1 28 GLN HE22 1 76 VAL H . . 3.300 2.161 1.880 3.284 . 0 0 "[ . 1 . 2 . 3]" 1
451 1 28 GLN HE22 1 76 VAL O . . 2.400 2.090 1.846 2.340 . 0 0 "[ . 1 . 2 . 3]" 1
452 1 28 GLN NE2 1 76 VAL O . 2.700 3.200 2.951 2.669 3.213 0.031 20 0 "[ . 1 . 2 . 3]" 1
453 1 29 ILE H 1 29 ILE HB . . 2.900 2.286 2.137 2.336 . 0 0 "[ . 1 . 2 . 3]" 1
454 1 29 ILE H 1 29 ILE HG12 . . 5.000 2.321 2.209 2.678 . 0 0 "[ . 1 . 2 . 3]" 1
455 1 29 ILE H 1 29 ILE QG . . 4.140 2.286 2.181 2.629 . 0 0 "[ . 1 . 2 . 3]" 1
456 1 29 ILE H 1 29 ILE HG13 . . 5.000 3.446 3.271 3.831 . 0 0 "[ . 1 . 2 . 3]" 1
457 1 29 ILE H 1 30 THR H . . 2.900 2.657 2.567 2.700 . 0 0 "[ . 1 . 2 . 3]" 1
458 1 29 ILE H 1 31 ASN H . . 5.500 3.974 3.884 4.179 . 0 0 "[ . 1 . 2 . 3]" 1
459 1 29 ILE H 1 75 LEU MD1 . . 6.000 4.463 4.332 4.788 . 0 0 "[ . 1 . 2 . 3]" 1
460 1 29 ILE HA 1 29 ILE MD . . 3.700 2.132 1.917 2.341 . 0 0 "[ . 1 . 2 . 3]" 1
461 1 29 ILE HA 1 31 ASN H . . 5.500 4.281 4.118 4.388 . 0 0 "[ . 1 . 2 . 3]" 1
462 1 29 ILE HA 1 32 LEU H . . 5.000 3.218 3.137 3.277 . 0 0 "[ . 1 . 2 . 3]" 1
463 1 29 ILE HA 1 32 LEU HB2 . . 5.000 1.991 1.930 2.134 . 0 0 "[ . 1 . 2 . 3]" 1
464 1 29 ILE HA 1 32 LEU HB3 . . 5.000 3.376 3.176 3.595 . 0 0 "[ . 1 . 2 . 3]" 1
465 1 29 ILE HA 1 32 LEU MD1 . . 6.000 3.557 3.417 3.645 . 0 0 "[ . 1 . 2 . 3]" 1
466 1 29 ILE HA 1 32 LEU MD2 . . 3.700 2.026 1.924 2.204 . 0 0 "[ . 1 . 2 . 3]" 1
467 1 29 ILE HA 1 32 LEU HG . . 5.000 4.347 4.182 4.464 . 0 0 "[ . 1 . 2 . 3]" 1
468 1 29 ILE HA 1 75 LEU MD1 . . 6.500 4.297 4.178 4.549 . 0 0 "[ . 1 . 2 . 3]" 1
469 1 29 ILE HB 1 30 THR H . . 5.000 2.725 2.665 3.055 . 0 0 "[ . 1 . 2 . 3]" 1
470 1 29 ILE MD 1 32 LEU MD1 . . 7.500 4.157 3.753 4.386 . 0 0 "[ . 1 . 2 . 3]" 1
471 1 29 ILE MD 1 32 LEU MD2 . . 4.700 2.012 1.691 2.398 . 0 0 "[ . 1 . 2 . 3]" 1
472 1 29 ILE MD 1 38 LYS QE . . 5.480 3.824 3.511 4.004 . 0 0 "[ . 1 . 2 . 3]" 1
473 1 29 ILE MD 1 41 ILE MD . . 7.500 4.920 4.511 5.031 . 0 0 "[ . 1 . 2 . 3]" 1
474 1 29 ILE MD 1 57 ILE MD . . 4.700 2.772 2.501 3.117 . 0 0 "[ . 1 . 2 . 3]" 1
475 1 29 ILE MD 1 57 ILE MG . . 5.300 2.680 2.226 3.046 . 0 0 "[ . 1 . 2 . 3]" 1
476 1 29 ILE MD 1 59 ILE MD . . 5.300 2.199 1.781 2.505 . 0 0 "[ . 1 . 2 . 3]" 1
477 1 29 ILE MD 1 59 ILE MG . . 7.500 4.573 4.015 4.806 . 0 0 "[ . 1 . 2 . 3]" 1
478 1 29 ILE MD 1 75 LEU MD1 . . 4.900 2.062 1.918 2.433 . 0 0 "[ . 1 . 2 . 3]" 1
479 1 29 ILE MD 1 75 LEU MD2 . . 5.300 3.303 3.143 3.488 . 0 0 "[ . 1 . 2 . 3]" 1
480 1 29 ILE MG 1 30 THR H . . 4.300 3.270 3.032 3.353 . 0 0 "[ . 1 . 2 . 3]" 1
481 1 29 ILE MG 1 30 THR HA . . 6.500 3.349 3.153 3.497 . 0 0 "[ . 1 . 2 . 3]" 1
482 1 29 ILE MG 1 30 THR HB . . 7.000 4.996 4.755 5.353 . 0 0 "[ . 1 . 2 . 3]" 1
483 1 29 ILE MG 1 30 THR MG . . 7.500 4.620 3.374 4.842 . 0 0 "[ . 1 . 2 . 3]" 1
484 1 29 ILE MG 1 32 LEU MD1 . . 7.500 4.997 4.920 5.064 . 0 0 "[ . 1 . 2 . 3]" 1
485 1 29 ILE MG 1 32 LEU MD2 . . 5.300 3.340 3.225 3.465 . 0 0 "[ . 1 . 2 . 3]" 1
486 1 29 ILE MG 1 38 LYS QD . . 5.100 3.678 2.772 3.765 . 0 0 "[ . 1 . 2 . 3]" 1
487 1 29 ILE MG 1 38 LYS HE2 . . 4.500 2.289 2.067 3.289 . 0 0 "[ . 1 . 2 . 3]" 1
488 1 29 ILE MG 1 38 LYS HE3 . . 4.500 2.659 2.111 3.553 . 0 0 "[ . 1 . 2 . 3]" 1
489 1 29 ILE MG 1 41 ILE MD . . 4.700 2.403 1.949 2.651 . 0 0 "[ . 1 . 2 . 3]" 1
490 1 29 ILE MG 1 59 ILE HB . . 6.500 4.263 4.090 4.711 . 0 0 "[ . 1 . 2 . 3]" 1
491 1 29 ILE MG 1 59 ILE MD . . 4.700 1.869 1.674 2.362 . 0 0 "[ . 1 . 2 . 3]" 1
492 1 29 ILE MG 1 59 ILE HG12 . . 6.500 2.563 2.233 2.823 . 0 0 "[ . 1 . 2 . 3]" 1
493 1 29 ILE MG 1 59 ILE HG13 . . 6.500 3.494 3.274 3.911 . 0 0 "[ . 1 . 2 . 3]" 1
494 1 29 ILE MG 1 59 ILE MG . . 7.000 3.203 2.890 3.454 . 0 0 "[ . 1 . 2 . 3]" 1
495 1 29 ILE O 1 32 LEU H . . 2.400 2.090 1.985 2.213 . 0 0 "[ . 1 . 2 . 3]" 1
496 1 29 ILE O 1 32 LEU N . 2.700 3.200 2.918 2.824 3.025 . 0 0 "[ . 1 . 2 . 3]" 1
497 1 30 THR H 1 31 ASN H . . 2.900 2.640 2.615 2.665 . 0 0 "[ . 1 . 2 . 3]" 1
498 1 30 THR H 1 32 LEU H . . 5.500 3.722 3.681 3.769 . 0 0 "[ . 1 . 2 . 3]" 1
499 1 30 THR H 1 41 ILE MD . . 7.000 3.979 3.676 4.503 . 0 0 "[ . 1 . 2 . 3]" 1
500 1 30 THR HA 1 32 LEU H . . 5.500 3.723 3.675 3.766 . 0 0 "[ . 1 . 2 . 3]" 1
501 1 30 THR HA 1 38 LYS QD . . 4.100 3.245 3.054 3.621 . 0 0 "[ . 1 . 2 . 3]" 1
502 1 30 THR HA 1 38 LYS HE2 . . 5.000 3.500 2.783 4.518 . 0 0 "[ . 1 . 2 . 3]" 1
503 1 30 THR HA 1 38 LYS QE . . 4.140 3.083 2.689 3.277 . 0 0 "[ . 1 . 2 . 3]" 1
504 1 30 THR HA 1 38 LYS HE3 . . 5.000 3.834 2.711 4.486 . 0 0 "[ . 1 . 2 . 3]" 1
505 1 30 THR HA 1 41 ILE MD . . 4.300 2.705 2.362 3.482 . 0 0 "[ . 1 . 2 . 3]" 1
506 1 30 THR HB 1 31 ASN H . . 2.900 2.874 2.781 3.151 0.251 27 0 "[ . 1 . 2 . 3]" 1
507 1 30 THR HB 1 31 ASN HD21 . . 5.000 4.558 2.581 5.074 0.074 30 0 "[ . 1 . 2 . 3]" 1
508 1 30 THR HB 1 31 ASN HD22 . . 5.000 4.648 3.671 4.999 . 0 0 "[ . 1 . 2 . 3]" 1
509 1 30 THR HB 1 38 LYS QD . . 6.800 5.957 5.817 6.046 . 0 0 "[ . 1 . 2 . 3]" 1
510 1 30 THR HB 1 38 LYS QE . . 6.380 5.656 5.396 5.781 . 0 0 "[ . 1 . 2 . 3]" 1
511 1 30 THR HB 1 41 ILE MD . . 6.500 4.491 4.108 5.359 . 0 0 "[ . 1 . 2 . 3]" 1
512 1 30 THR MG 1 31 ASN H . . 6.000 3.787 3.646 4.271 . 0 0 "[ . 1 . 2 . 3]" 1
513 1 30 THR MG 1 38 LYS QD . . 7.800 4.278 4.114 4.468 . 0 0 "[ . 1 . 2 . 3]" 1
514 1 30 THR MG 1 41 ILE MD . . 4.700 3.050 2.645 3.217 . 0 0 "[ . 1 . 2 . 3]" 1
515 1 30 THR MG 1 41 ILE MG . . 7.500 4.657 4.073 5.003 . 0 0 "[ . 1 . 2 . 3]" 1
516 1 30 THR MG 1 110 TRP HD1 . . 4.800 3.693 3.019 3.984 . 0 0 "[ . 1 . 2 . 3]" 1
517 1 30 THR MG 1 110 TRP HE1 . . 4.300 2.935 2.527 3.543 . 0 0 "[ . 1 . 2 . 3]" 1
518 1 30 THR MG 1 110 TRP HZ2 . . 4.800 3.347 2.744 3.980 . 0 0 "[ . 1 . 2 . 3]" 1
519 1 30 THR MG 1 110 TRP HZ3 . . 6.500 4.927 4.585 5.331 . 0 0 "[ . 1 . 2 . 3]" 1
520 1 31 ASN H 1 31 ASN HA . . 2.900 2.843 2.809 2.863 . 0 0 "[ . 1 . 2 . 3]" 1
521 1 31 ASN H 1 31 ASN QB . . 3.680 2.267 2.198 2.471 . 0 0 "[ . 1 . 2 . 3]" 1
522 1 31 ASN H 1 31 ASN HD21 . . 5.000 3.448 2.072 4.068 . 0 0 "[ . 1 . 2 . 3]" 1
523 1 31 ASN H 1 31 ASN HD22 . . 5.500 4.275 3.663 4.587 . 0 0 "[ . 1 . 2 . 3]" 1
524 1 31 ASN H 1 32 LEU H . . 2.900 2.399 2.330 2.498 . 0 0 "[ . 1 . 2 . 3]" 1
525 1 31 ASN QB 1 32 LEU H . . 4.140 3.229 3.150 3.322 . 0 0 "[ . 1 . 2 . 3]" 1
526 1 31 ASN HB2 1 32 LEU H . . 5.000 3.378 3.267 3.477 . 0 0 "[ . 1 . 2 . 3]" 1
527 1 31 ASN HB3 1 32 LEU H . . 5.000 4.111 4.014 4.246 . 0 0 "[ . 1 . 2 . 3]" 1
528 1 32 LEU H 1 32 LEU HA . . 2.900 2.851 2.846 2.854 . 0 0 "[ . 1 . 2 . 3]" 1
529 1 32 LEU H 1 32 LEU HB3 . . 3.500 3.219 3.046 3.277 . 0 0 "[ . 1 . 2 . 3]" 1
530 1 32 LEU H 1 33 GLN H . . 5.000 4.495 4.440 4.624 . 0 0 "[ . 1 . 2 . 3]" 1
531 1 32 LEU HA 1 33 GLN H . . 3.300 2.180 2.176 2.260 . 0 0 "[ . 1 . 2 . 3]" 1
532 1 32 LEU HB2 1 33 GLN H . . 5.000 4.606 4.401 4.649 . 0 0 "[ . 1 . 2 . 3]" 1
533 1 32 LEU HB2 1 38 LYS HD2 . . 5.500 4.668 4.385 5.607 0.107 8 0 "[ . 1 . 2 . 3]" 1
534 1 32 LEU HB2 1 38 LYS QD . . 5.180 4.397 4.168 4.681 . 0 0 "[ . 1 . 2 . 3]" 1
535 1 32 LEU HB2 1 38 LYS HD3 . . 5.500 5.411 5.016 5.587 0.087 6 0 "[ . 1 . 2 . 3]" 1
536 1 32 LEU HB2 1 72 PHE HZ . . 5.000 4.194 3.696 5.078 0.078 15 0 "[ . 1 . 2 . 3]" 1
537 1 32 LEU HB3 1 33 GLN H . . 5.000 3.812 3.529 3.917 . 0 0 "[ . 1 . 2 . 3]" 1
538 1 32 LEU HB3 1 38 LYS HE2 . . 5.500 3.880 3.519 4.374 . 0 0 "[ . 1 . 2 . 3]" 1
539 1 32 LEU HB3 1 38 LYS QE . . 5.180 3.725 2.966 3.981 . 0 0 "[ . 1 . 2 . 3]" 1
540 1 32 LEU HB3 1 38 LYS HE3 . . 5.500 5.156 3.082 5.523 0.023 6 0 "[ . 1 . 2 . 3]" 1
541 1 32 LEU HB3 1 72 PHE QE . . 7.700 2.440 1.987 3.171 . 0 0 "[ . 1 . 2 . 3]" 1
542 1 32 LEU HB3 1 72 PHE HZ . . 5.500 2.510 1.993 3.357 . 0 0 "[ . 1 . 2 . 3]" 1
543 1 32 LEU MD1 1 33 GLN H . . 4.300 3.458 3.180 3.587 . 0 0 "[ . 1 . 2 . 3]" 1
544 1 32 LEU MD1 1 72 PHE QD . . 8.700 3.807 3.131 4.941 . 0 0 "[ . 1 . 2 . 3]" 1
545 1 32 LEU MD1 1 72 PHE QE . . 8.200 3.570 3.180 4.796 . 0 0 "[ . 1 . 2 . 3]" 1
546 1 32 LEU MD1 1 72 PHE HZ . . 6.500 4.908 4.492 5.449 . 0 0 "[ . 1 . 2 . 3]" 1
547 1 32 LEU MD1 1 73 PHE HA . . 6.000 4.328 3.845 4.525 . 0 0 "[ . 1 . 2 . 3]" 1
548 1 32 LEU MD2 1 33 GLN H . . 7.000 5.092 4.486 5.226 . 0 0 "[ . 1 . 2 . 3]" 1
549 1 32 LEU MD2 1 72 PHE QD . . 8.700 3.581 2.502 3.972 . 0 0 "[ . 1 . 2 . 3]" 1
550 1 32 LEU MD2 1 72 PHE QE . . 8.200 3.345 2.338 3.601 . 0 0 "[ . 1 . 2 . 3]" 1
551 1 32 LEU MD2 1 72 PHE HZ . . 6.500 3.923 3.597 4.782 . 0 0 "[ . 1 . 2 . 3]" 1
552 1 32 LEU MD2 1 73 PHE HA . . 3.700 2.156 1.957 2.557 . 0 0 "[ . 1 . 2 . 3]" 1
553 1 32 LEU MD2 1 73 PHE QD . . 6.500 2.863 2.526 3.388 . 0 0 "[ . 1 . 2 . 3]" 1
554 1 32 LEU MD2 1 73 PHE QE . . 5.900 3.747 3.550 4.094 . 0 0 "[ . 1 . 2 . 3]" 1
555 1 33 GLN H 1 34 THR H . . 5.500 4.620 4.599 4.635 . 0 0 "[ . 1 . 2 . 3]" 1
556 1 33 GLN HA 1 34 THR H . . 2.900 2.484 2.464 2.507 . 0 0 "[ . 1 . 2 . 3]" 1
557 1 34 THR H 1 36 THR H . . 6.000 4.535 4.343 5.029 . 0 0 "[ . 1 . 2 . 3]" 1
558 1 34 THR HA 1 34 THR HB . . 2.900 2.360 2.310 2.426 . 0 0 "[ . 1 . 2 . 3]" 1
559 1 34 THR HA 1 35 PRO HD2 . . 3.300 2.736 2.635 2.816 . 0 0 "[ . 1 . 2 . 3]" 1
560 1 34 THR HA 1 35 PRO HD3 . . 3.300 1.994 1.942 2.041 . 0 0 "[ . 1 . 2 . 3]" 1
561 1 34 THR HA 1 35 PRO HG2 . . 5.000 4.644 4.568 4.707 . 0 0 "[ . 1 . 2 . 3]" 1
562 1 34 THR HA 1 35 PRO HG3 . . 5.000 4.253 4.209 4.293 . 0 0 "[ . 1 . 2 . 3]" 1
563 1 34 THR HA 1 36 THR H . . 5.000 3.873 3.752 4.117 . 0 0 "[ . 1 . 2 . 3]" 1
564 1 34 THR HA 1 65 TYR QD . . 7.700 4.946 3.930 5.395 . 0 0 "[ . 1 . 2 . 3]" 1
565 1 34 THR HA 1 65 TYR QE . . 5.500 4.117 2.333 4.800 . 0 0 "[ . 1 . 2 . 3]" 1
566 1 34 THR HA 1 72 PHE HZ . . 6.000 4.005 3.104 4.513 . 0 0 "[ . 1 . 2 . 3]" 1
567 1 34 THR HB 1 35 PRO HD2 . . 5.000 3.206 2.916 3.494 . 0 0 "[ . 1 . 2 . 3]" 1
568 1 34 THR HB 1 35 PRO QD . . 4.140 2.998 2.744 3.249 . 0 0 "[ . 1 . 2 . 3]" 1
569 1 34 THR HB 1 35 PRO HD3 . . 5.000 3.604 3.341 3.862 . 0 0 "[ . 1 . 2 . 3]" 1
570 1 34 THR HB 1 36 THR H . . 5.000 3.980 3.914 4.140 . 0 0 "[ . 1 . 2 . 3]" 1
571 1 34 THR HB 1 61 PHE QE . . 7.700 2.518 2.275 3.353 . 0 0 "[ . 1 . 2 . 3]" 1
572 1 34 THR HB 1 65 TYR QD . . 7.700 4.596 2.663 5.053 . 0 0 "[ . 1 . 2 . 3]" 1
573 1 34 THR HB 1 65 TYR QE . . 5.500 4.364 1.999 4.867 . 0 0 "[ . 1 . 2 . 3]" 1
574 1 34 THR MG 1 35 PRO HD2 . . 6.500 3.869 3.780 3.918 . 0 0 "[ . 1 . 2 . 3]" 1
575 1 34 THR MG 1 35 PRO QD . . 6.190 3.637 3.569 3.673 . 0 0 "[ . 1 . 2 . 3]" 1
576 1 34 THR MG 1 35 PRO HD3 . . 6.500 4.419 4.383 4.444 . 0 0 "[ . 1 . 2 . 3]" 1
577 1 34 THR MG 1 36 THR H . . 6.500 3.020 2.580 3.628 . 0 0 "[ . 1 . 2 . 3]" 1
578 1 34 THR MG 1 37 ASN HA . . 6.500 2.742 2.377 2.849 . 0 0 "[ . 1 . 2 . 3]" 1
579 1 34 THR MG 1 37 ASN HB2 . . 6.000 4.684 4.293 4.796 . 0 0 "[ . 1 . 2 . 3]" 1
580 1 34 THR MG 1 37 ASN HB3 . . 6.000 4.909 4.529 5.043 . 0 0 "[ . 1 . 2 . 3]" 1
581 1 34 THR MG 1 38 LYS HE2 . . 6.500 4.582 4.136 5.079 . 0 0 "[ . 1 . 2 . 3]" 1
582 1 34 THR MG 1 38 LYS QE . . 6.190 4.137 3.013 4.442 . 0 0 "[ . 1 . 2 . 3]" 1
583 1 34 THR MG 1 38 LYS HE3 . . 6.500 4.755 3.088 5.002 . 0 0 "[ . 1 . 2 . 3]" 1
584 1 34 THR MG 1 61 PHE QD . . 8.200 2.289 2.029 2.829 . 0 0 "[ . 1 . 2 . 3]" 1
585 1 34 THR MG 1 61 PHE QE . . 5.900 2.195 1.950 2.653 . 0 0 "[ . 1 . 2 . 3]" 1
586 1 34 THR MG 1 61 PHE HZ . . 6.000 4.267 3.975 4.658 . 0 0 "[ . 1 . 2 . 3]" 1
587 1 34 THR MG 1 65 TYR HB2 . . 6.000 4.888 4.750 5.006 . 0 0 "[ . 1 . 2 . 3]" 1
588 1 34 THR MG 1 65 TYR QD . . 8.700 5.006 3.615 5.303 . 0 0 "[ . 1 . 2 . 3]" 1
589 1 34 THR MG 1 65 TYR QE . . 8.700 5.291 3.764 5.687 . 0 0 "[ . 1 . 2 . 3]" 1
590 1 34 THR MG 1 72 PHE QD . . 8.700 5.876 5.654 6.250 . 0 0 "[ . 1 . 2 . 3]" 1
591 1 34 THR MG 1 72 PHE QE . . 6.500 4.255 4.122 4.464 . 0 0 "[ . 1 . 2 . 3]" 1
592 1 34 THR MG 1 72 PHE HZ . . 4.500 3.618 3.479 3.832 . 0 0 "[ . 1 . 2 . 3]" 1
593 1 34 THR OG1 1 36 THR H . . 2.400 1.959 1.868 2.115 . 0 0 "[ . 1 . 2 . 3]" 1
594 1 34 THR OG1 1 36 THR N . 2.700 3.200 2.926 2.859 3.095 . 0 0 "[ . 1 . 2 . 3]" 1
595 1 35 PRO HA 1 36 THR H . . 3.300 3.318 3.253 3.442 0.142 27 0 "[ . 1 . 2 . 3]" 1
596 1 35 PRO QD 1 36 THR H . . 4.180 2.501 2.261 2.641 . 0 0 "[ . 1 . 2 . 3]" 1
597 1 35 PRO QD 1 65 TYR QD . . 6.380 2.511 1.988 3.088 . 0 0 "[ . 1 . 2 . 3]" 1
598 1 35 PRO HD2 1 65 TYR QE . . 4.900 2.900 2.381 3.520 . 0 0 "[ . 1 . 2 . 3]" 1
599 1 35 PRO HD3 1 65 TYR QE . . 4.900 2.679 2.228 3.614 . 0 0 "[ . 1 . 2 . 3]" 1
600 1 35 PRO QG 1 36 THR H . . 4.180 3.478 3.042 3.683 . 0 0 "[ . 1 . 2 . 3]" 1
601 1 35 PRO QG 1 65 TYR QD . . 7.400 2.203 1.947 3.418 . 0 0 "[ . 1 . 2 . 3]" 1
602 1 35 PRO QG 1 65 TYR QE . . 6.380 2.584 2.030 3.638 . 0 0 "[ . 1 . 2 . 3]" 1
603 1 35 PRO HG2 1 65 TYR QD . . 7.700 2.235 1.976 3.565 . 0 0 "[ . 1 . 2 . 3]" 1
604 1 35 PRO HG3 1 65 TYR QD . . 7.700 3.383 2.768 4.387 . 0 0 "[ . 1 . 2 . 3]" 1
605 1 36 THR H 1 36 THR HA . . 2.900 2.944 2.921 2.948 0.048 9 0 "[ . 1 . 2 . 3]" 1
606 1 36 THR H 1 36 THR HB . . 3.300 3.180 3.026 3.255 . 0 0 "[ . 1 . 2 . 3]" 1
607 1 36 THR H 1 36 THR MG . . 3.700 1.954 1.828 2.012 . 0 0 "[ . 1 . 2 . 3]" 1
608 1 36 THR H 1 37 ASN H . . 3.300 3.302 3.062 3.364 0.064 12 0 "[ . 1 . 2 . 3]" 1
609 1 36 THR HA 1 36 THR HB . . 2.900 2.383 2.364 2.397 . 0 0 "[ . 1 . 2 . 3]" 1
610 1 36 THR HB 1 37 ASN H . . 6.000 3.394 3.370 3.503 . 0 0 "[ . 1 . 2 . 3]" 1
611 1 36 THR HB 1 61 PHE QD . . 8.200 4.887 4.423 5.310 . 0 0 "[ . 1 . 2 . 3]" 1
612 1 36 THR MG 1 37 ASN H . . 7.000 1.761 1.664 1.785 . 0 0 "[ . 1 . 2 . 3]" 1
613 1 36 THR MG 1 61 PHE HA . . 6.500 4.022 3.566 4.217 . 0 0 "[ . 1 . 2 . 3]" 1
614 1 36 THR MG 1 61 PHE HB2 . . 6.000 2.645 2.309 3.231 . 0 0 "[ . 1 . 2 . 3]" 1
615 1 36 THR MG 1 61 PHE HB3 . . 4.300 1.947 1.900 2.058 . 0 0 "[ . 1 . 2 . 3]" 1
616 1 36 THR MG 1 61 PHE QD . . 5.900 2.228 1.860 2.724 . 0 0 "[ . 1 . 2 . 3]" 1
617 1 36 THR MG 1 61 PHE QE . . 8.200 3.441 3.084 3.871 . 0 0 "[ . 1 . 2 . 3]" 1
618 1 36 THR MG 1 62 GLU H . . 6.000 4.087 3.731 4.196 . 0 0 "[ . 1 . 2 . 3]" 1
619 1 36 THR MG 1 63 GLY H . . 4.300 3.375 3.015 3.529 . 0 0 "[ . 1 . 2 . 3]" 1
620 1 36 THR MG 1 65 TYR HA . . 4.300 2.917 2.418 3.293 . 0 0 "[ . 1 . 2 . 3]" 1
621 1 36 THR MG 1 65 TYR HB2 . . 4.300 1.945 1.768 2.155 . 0 0 "[ . 1 . 2 . 3]" 1
622 1 36 THR MG 1 65 TYR HB3 . . 6.000 3.350 3.173 3.577 . 0 0 "[ . 1 . 2 . 3]" 1
623 1 36 THR MG 1 65 TYR QD . . 6.500 2.839 2.183 3.272 . 0 0 "[ . 1 . 2 . 3]" 1
624 1 36 THR MG 1 65 TYR QE . . 8.200 4.360 3.994 4.756 . 0 0 "[ . 1 . 2 . 3]" 1
625 1 36 THR OG1 1 63 GLY H . . 2.400 2.341 2.077 2.473 0.073 14 0 "[ . 1 . 2 . 3]" 1
626 1 36 THR OG1 1 63 GLY N . 2.700 3.200 3.216 2.906 3.364 0.164 14 0 "[ . 1 . 2 . 3]" 1
627 1 37 ASN H 1 37 ASN HB3 . . 3.300 3.007 2.949 3.125 . 0 0 "[ . 1 . 2 . 3]" 1
628 1 37 ASN H 1 37 ASN HD21 . . 5.500 4.200 3.984 4.612 . 0 0 "[ . 1 . 2 . 3]" 1
629 1 37 ASN H 1 37 ASN HD22 . . 5.500 5.547 5.461 5.671 0.171 27 0 "[ . 1 . 2 . 3]" 1
630 1 37 ASN HA 1 38 LYS H . . 2.900 2.322 2.274 2.370 . 0 0 "[ . 1 . 2 . 3]" 1
631 1 37 ASN HA 1 62 GLU HB2 . . 5.500 5.493 4.900 5.567 0.067 18 0 "[ . 1 . 2 . 3]" 1
632 1 37 ASN HB2 1 38 LYS H . . 5.000 4.017 3.910 4.133 . 0 0 "[ . 1 . 2 . 3]" 1
633 1 37 ASN HB2 1 62 GLU HB2 . . 5.000 4.289 3.689 4.390 . 0 0 "[ . 1 . 2 . 3]" 1
634 1 37 ASN HB2 1 62 GLU HB3 . . 5.000 4.164 4.006 4.275 . 0 0 "[ . 1 . 2 . 3]" 1
635 1 37 ASN HB2 1 62 GLU QG . . 6.300 5.518 4.784 5.647 . 0 0 "[ . 1 . 2 . 3]" 1
636 1 37 ASN HB3 1 38 LYS H . . 5.500 4.238 4.116 4.453 . 0 0 "[ . 1 . 2 . 3]" 1
637 1 37 ASN HB3 1 62 GLU HB2 . . 5.000 2.778 2.219 3.003 . 0 0 "[ . 1 . 2 . 3]" 1
638 1 37 ASN HB3 1 62 GLU HB3 . . 3.300 2.644 2.438 2.776 . 0 0 "[ . 1 . 2 . 3]" 1
639 1 37 ASN HB3 1 62 GLU QG . . 6.300 4.353 3.777 4.497 . 0 0 "[ . 1 . 2 . 3]" 1
640 1 37 ASN HD21 1 62 GLU H . . 5.500 3.198 2.138 5.094 . 0 0 "[ . 1 . 2 . 3]" 1
641 1 37 ASN HD22 1 62 GLU H . . 5.000 4.349 3.766 5.148 0.148 30 0 "[ . 1 . 2 . 3]" 1
642 1 37 ASN O 1 62 GLU H . . 2.400 2.228 2.072 2.402 0.002 17 0 "[ . 1 . 2 . 3]" 1
643 1 37 ASN O 1 62 GLU N . 2.700 3.200 3.075 2.917 3.246 0.046 17 0 "[ . 1 . 2 . 3]" 1
644 1 38 LYS H 1 38 LYS HB2 . . 3.300 2.244 2.214 2.295 . 0 0 "[ . 1 . 2 . 3]" 1
645 1 38 LYS HA 1 39 LEU H . . 2.900 2.192 2.176 2.356 . 0 0 "[ . 1 . 2 . 3]" 1
646 1 38 LYS HA 1 40 PHE H . . 5.000 4.691 4.127 5.106 0.106 27 0 "[ . 1 . 2 . 3]" 1
647 1 38 LYS HA 1 61 PHE HA . . 3.300 2.745 2.530 3.069 . 0 0 "[ . 1 . 2 . 3]" 1
648 1 38 LYS HA 1 61 PHE QD . . 5.500 2.836 2.263 3.277 . 0 0 "[ . 1 . 2 . 3]" 1
649 1 38 LYS HA 1 62 GLU H . . 5.500 4.180 3.966 4.551 . 0 0 "[ . 1 . 2 . 3]" 1
650 1 38 LYS HB2 1 39 LEU H . . 5.000 4.472 4.084 4.543 . 0 0 "[ . 1 . 2 . 3]" 1
651 1 38 LYS HB3 1 39 LEU H . . 5.500 3.518 2.818 3.668 . 0 0 "[ . 1 . 2 . 3]" 1
652 1 38 LYS QD 1 41 ILE MD . . 5.100 2.751 1.983 3.604 . 0 0 "[ . 1 . 2 . 3]" 1
653 1 38 LYS QD 1 59 ILE MD . . 7.300 4.761 3.453 5.322 . 0 0 "[ . 1 . 2 . 3]" 1
654 1 38 LYS QD 1 59 ILE MG . . 5.100 3.658 2.260 3.848 . 0 0 "[ . 1 . 2 . 3]" 1
655 1 38 LYS HE2 1 61 PHE QE . . 7.700 4.443 3.524 5.170 . 0 0 "[ . 1 . 2 . 3]" 1
656 1 38 LYS HE3 1 61 PHE QE . . 7.700 4.430 3.218 5.276 . 0 0 "[ . 1 . 2 . 3]" 1
657 1 38 LYS QG 1 39 LEU H . . 5.180 3.847 3.557 4.011 . 0 0 "[ . 1 . 2 . 3]" 1
658 1 38 LYS HG2 1 39 LEU H . . 5.500 4.029 3.687 4.236 . 0 0 "[ . 1 . 2 . 3]" 1
659 1 38 LYS HG3 1 39 LEU H . . 5.500 4.879 4.675 5.073 . 0 0 "[ . 1 . 2 . 3]" 1
660 1 39 LEU H 1 39 LEU HG . . 5.000 4.437 3.262 4.725 . 0 0 "[ . 1 . 2 . 3]" 1
661 1 39 LEU H 1 40 PHE H . . 2.900 2.717 2.299 2.986 0.086 30 0 "[ . 1 . 2 . 3]" 1
662 1 39 LEU H 1 60 GLN O . . 2.400 2.142 1.693 2.498 0.107 11 0 "[ . 1 . 2 . 3]" 1
663 1 39 LEU H 1 61 PHE HA . . 5.000 2.584 2.174 3.468 . 0 0 "[ . 1 . 2 . 3]" 1
664 1 39 LEU H 1 61 PHE QD . . 7.700 4.429 3.886 4.952 . 0 0 "[ . 1 . 2 . 3]" 1
665 1 39 LEU H 1 62 GLU H . . 5.500 4.074 3.665 5.159 . 0 0 "[ . 1 . 2 . 3]" 1
666 1 39 LEU HA 1 62 GLU H . . 6.000 5.135 4.663 5.975 . 0 0 "[ . 1 . 2 . 3]" 1
667 1 39 LEU HA 1 114 GLN HE21 . . 5.000 4.873 4.665 5.046 0.046 18 0 "[ . 1 . 2 . 3]" 1
668 1 39 LEU QB 1 114 GLN HE21 . . 4.100 3.352 2.903 3.477 . 0 0 "[ . 1 . 2 . 3]" 1
669 1 39 LEU QB 1 114 GLN HE22 . . 5.800 4.086 2.032 4.938 . 0 0 "[ . 1 . 2 . 3]" 1
670 1 39 LEU MD1 1 60 GLN HE22 . . 6.000 4.184 2.497 5.052 . 0 0 "[ . 1 . 2 . 3]" 1
671 1 39 LEU MD1 1 62 GLU H . . 6.500 2.682 1.838 3.211 . 0 0 "[ . 1 . 2 . 3]" 1
672 1 39 LEU MD1 1 62 GLU HA . . 4.300 2.942 2.168 3.354 . 0 0 "[ . 1 . 2 . 3]" 1
673 1 39 LEU MD1 1 62 GLU HB2 . . 6.500 2.001 1.818 2.636 . 0 0 "[ . 1 . 2 . 3]" 1
674 1 39 LEU MD1 1 62 GLU HB3 . . 6.000 3.459 3.244 3.712 . 0 0 "[ . 1 . 2 . 3]" 1
675 1 39 LEU MD1 1 62 GLU HG2 . . 6.000 3.398 2.868 3.931 . 0 0 "[ . 1 . 2 . 3]" 1
676 1 39 LEU MD1 1 62 GLU HG3 . . 6.000 2.561 1.983 4.080 . 0 0 "[ . 1 . 2 . 3]" 1
677 1 39 LEU MD1 1 114 GLN QG . . 6.800 4.120 3.660 5.128 . 0 0 "[ . 1 . 2 . 3]" 1
678 1 39 LEU MD2 1 60 GLN HE21 . . 4.300 2.978 2.318 3.441 . 0 0 "[ . 1 . 2 . 3]" 1
679 1 39 LEU MD2 1 60 GLN QG . . 6.800 3.891 2.731 4.267 . 0 0 "[ . 1 . 2 . 3]" 1
680 1 39 LEU MD2 1 62 GLU HA . . 3.700 2.357 1.952 2.981 . 0 0 "[ . 1 . 2 . 3]" 1
681 1 39 LEU MD2 1 62 GLU HB2 . . 7.000 3.218 2.692 3.650 . 0 0 "[ . 1 . 2 . 3]" 1
682 1 39 LEU MD2 1 62 GLU HB3 . . 6.500 4.382 4.075 4.772 . 0 0 "[ . 1 . 2 . 3]" 1
683 1 39 LEU MD2 1 62 GLU HG2 . . 4.300 3.145 2.773 3.432 . 0 0 "[ . 1 . 2 . 3]" 1
684 1 39 LEU MD2 1 62 GLU HG3 . . 4.300 3.103 2.701 3.398 . 0 0 "[ . 1 . 2 . 3]" 1
685 1 39 LEU MD2 1 113 PHE QE . . 8.200 5.591 4.935 6.181 . 0 0 "[ . 1 . 2 . 3]" 1
686 1 39 LEU MD2 1 114 GLN HB2 . . 7.000 3.797 1.751 4.372 . 0 0 "[ . 1 . 2 . 3]" 1
687 1 39 LEU MD2 1 114 GLN QB . . 6.700 3.435 1.738 3.883 . 0 0 "[ . 1 . 2 . 3]" 1
688 1 39 LEU MD2 1 114 GLN HB3 . . 7.000 4.016 2.950 4.346 . 0 0 "[ . 1 . 2 . 3]" 1
689 1 39 LEU MD2 1 114 GLN HE21 . . 4.300 2.658 2.050 3.252 . 0 0 "[ . 1 . 2 . 3]" 1
690 1 39 LEU MD2 1 114 GLN HE22 . . 4.300 3.224 2.589 3.480 . 0 0 "[ . 1 . 2 . 3]" 1
691 1 39 LEU MD2 1 114 GLN QG . . 4.500 1.946 1.686 3.304 . 0 0 "[ . 1 . 2 . 3]" 1
692 1 39 LEU HG 1 40 PHE H . . 5.500 4.414 4.039 4.775 . 0 0 "[ . 1 . 2 . 3]" 1
693 1 39 LEU N 1 60 GLN O . 2.700 3.200 3.033 2.662 3.214 0.038 11 0 "[ . 1 . 2 . 3]" 1
694 1 40 PHE H 1 40 PHE HB2 . . 3.300 2.788 2.567 3.130 . 0 0 "[ . 1 . 2 . 3]" 1
695 1 40 PHE H 1 40 PHE HB3 . . 3.300 2.508 2.337 2.694 . 0 0 "[ . 1 . 2 . 3]" 1
696 1 40 PHE H 1 60 GLN H . . 5.000 3.106 2.730 3.474 . 0 0 "[ . 1 . 2 . 3]" 1
697 1 40 PHE H 1 60 GLN QG . . 4.100 2.093 1.820 3.547 . 0 0 "[ . 1 . 2 . 3]" 1
698 1 40 PHE H 1 61 PHE HA . . 5.500 4.615 4.139 5.482 . 0 0 "[ . 1 . 2 . 3]" 1
699 1 40 PHE HA 1 41 ILE H . . 2.900 2.392 2.341 2.473 . 0 0 "[ . 1 . 2 . 3]" 1
700 1 40 PHE HA 1 110 TRP HE3 . . 3.300 3.267 3.030 3.344 0.044 28 0 "[ . 1 . 2 . 3]" 1
701 1 40 PHE HA 1 110 TRP HZ3 . . 5.000 3.852 3.375 4.502 . 0 0 "[ . 1 . 2 . 3]" 1
702 1 40 PHE HA 1 111 GLY HA2 . . 5.000 3.965 3.636 4.220 . 0 0 "[ . 1 . 2 . 3]" 1
703 1 40 PHE HA 1 111 GLY HA3 . . 5.000 2.333 2.038 2.565 . 0 0 "[ . 1 . 2 . 3]" 1
704 1 40 PHE HA 1 112 THR H . . 3.300 3.292 3.025 3.398 0.098 14 0 "[ . 1 . 2 . 3]" 1
705 1 40 PHE HB2 1 41 ILE H . . 5.000 4.073 3.908 4.176 . 0 0 "[ . 1 . 2 . 3]" 1
706 1 40 PHE HB3 1 41 ILE H . . 3.800 3.779 3.646 3.857 0.057 22 0 "[ . 1 . 2 . 3]" 1
707 1 40 PHE QD 1 58 LEU MD1 . . 8.200 3.264 2.909 3.616 . 0 0 "[ . 1 . 2 . 3]" 1
708 1 40 PHE QD 1 59 ILE MG . . 8.700 5.165 4.730 5.689 . 0 0 "[ . 1 . 2 . 3]" 1
709 1 40 PHE QD 1 101 ILE MD . . 6.500 2.785 2.233 3.569 . 0 0 "[ . 1 . 2 . 3]" 1
710 1 40 PHE QD 1 101 ILE MG . . 8.200 4.218 3.559 5.204 . 0 0 "[ . 1 . 2 . 3]" 1
711 1 40 PHE QD 1 109 GLU HA . . 7.700 5.661 5.165 6.013 . 0 0 "[ . 1 . 2 . 3]" 1
712 1 40 PHE QD 1 112 THR H . . 5.500 3.227 2.928 3.547 . 0 0 "[ . 1 . 2 . 3]" 1
713 1 40 PHE QD 1 112 THR HA . . 5.500 2.186 1.982 3.166 . 0 0 "[ . 1 . 2 . 3]" 1
714 1 40 PHE QD 1 113 PHE QD . . 9.900 2.060 1.961 2.734 . 0 0 "[ . 1 . 2 . 3]" 1
715 1 40 PHE QD 1 113 PHE QE . . 9.900 3.701 3.213 4.290 . 0 0 "[ . 1 . 2 . 3]" 1
716 1 40 PHE QD 1 114 GLN H . . 7.200 5.483 4.947 5.774 . 0 0 "[ . 1 . 2 . 3]" 1
717 1 40 PHE QE 1 42 LYS HA . . 7.700 3.669 2.264 4.395 . 0 0 "[ . 1 . 2 . 3]" 1
718 1 40 PHE QE 1 58 LEU MD1 . . 6.500 3.763 3.351 4.089 . 0 0 "[ . 1 . 2 . 3]" 1
719 1 40 PHE QE 1 101 ILE MG . . 8.700 2.756 2.097 3.994 . 0 0 "[ . 1 . 2 . 3]" 1
720 1 40 PHE QE 1 109 GLU QB . . 6.300 3.521 1.986 4.538 . 0 0 "[ . 1 . 2 . 3]" 1
721 1 40 PHE QE 1 109 GLU QG . . 8.000 3.031 1.855 3.848 . 0 0 "[ . 1 . 2 . 3]" 1
722 1 40 PHE QE 1 113 PHE QD . . 7.700 3.794 3.339 4.128 . 0 0 "[ . 1 . 2 . 3]" 1
723 1 40 PHE HZ 1 109 GLU QB . . 5.800 3.238 1.927 4.338 . 0 0 "[ . 1 . 2 . 3]" 1
724 1 40 PHE HZ 1 109 GLU QG . . 4.100 2.464 1.806 3.650 . 0 0 "[ . 1 . 2 . 3]" 1
725 1 40 PHE O 1 60 GLN H . . 2.400 2.263 2.016 2.409 0.009 14 0 "[ . 1 . 2 . 3]" 1
726 1 40 PHE O 1 60 GLN N . 2.700 3.200 3.211 2.945 3.316 0.116 17 0 "[ . 1 . 2 . 3]" 1
727 1 41 ILE H 1 110 TRP H . . 3.300 3.036 2.390 3.299 . 0 0 "[ . 1 . 2 . 3]" 1
728 1 41 ILE H 1 110 TRP HE3 . . 5.000 3.183 2.565 4.067 . 0 0 "[ . 1 . 2 . 3]" 1
729 1 41 ILE H 1 110 TRP O . . 2.400 1.827 1.756 1.987 0.044 15 0 "[ . 1 . 2 . 3]" 1
730 1 41 ILE H 1 111 GLY HA3 . . 5.500 3.576 3.160 4.152 . 0 0 "[ . 1 . 2 . 3]" 1
731 1 41 ILE HA 1 42 LYS H . . 2.900 2.183 2.176 2.228 . 0 0 "[ . 1 . 2 . 3]" 1
732 1 41 ILE HA 1 59 ILE HA . . 3.300 2.492 2.366 2.640 . 0 0 "[ . 1 . 2 . 3]" 1
733 1 41 ILE HA 1 59 ILE MD . . 6.500 4.522 4.232 4.845 . 0 0 "[ . 1 . 2 . 3]" 1
734 1 41 ILE HA 1 59 ILE MG . . 7.000 2.940 2.636 3.479 . 0 0 "[ . 1 . 2 . 3]" 1
735 1 41 ILE HA 1 60 GLN H . . 5.500 3.895 3.755 4.152 . 0 0 "[ . 1 . 2 . 3]" 1
736 1 41 ILE HB 1 110 TRP QB . . 5.800 2.017 1.937 2.304 . 0 0 "[ . 1 . 2 . 3]" 1
737 1 41 ILE HB 1 110 TRP HE3 . . 5.000 2.809 1.988 3.990 . 0 0 "[ . 1 . 2 . 3]" 1
738 1 41 ILE MD 1 42 LYS H . . 6.500 5.305 5.108 5.394 . 0 0 "[ . 1 . 2 . 3]" 1
739 1 41 ILE MD 1 43 ILE MD . . 7.500 4.157 3.782 4.676 . 0 0 "[ . 1 . 2 . 3]" 1
740 1 41 ILE MD 1 59 ILE HA . . 7.000 5.083 4.802 5.280 . 0 0 "[ . 1 . 2 . 3]" 1
741 1 41 ILE MD 1 59 ILE MD . . 7.500 4.125 3.668 4.715 . 0 0 "[ . 1 . 2 . 3]" 1
742 1 41 ILE MD 1 59 ILE MG . . 7.000 3.092 2.763 3.488 . 0 0 "[ . 1 . 2 . 3]" 1
743 1 41 ILE MD 1 110 TRP HD1 . . 6.500 4.880 4.399 5.310 . 0 0 "[ . 1 . 2 . 3]" 1
744 1 41 ILE MD 1 110 TRP HE3 . . 4.300 2.604 2.169 3.119 . 0 0 "[ . 1 . 2 . 3]" 1
745 1 41 ILE HG12 1 59 ILE MG . . 6.000 1.979 1.805 2.412 . 0 0 "[ . 1 . 2 . 3]" 1
746 1 41 ILE HG13 1 59 ILE MG . . 6.000 2.787 2.034 3.779 . 0 0 "[ . 1 . 2 . 3]" 1
747 1 41 ILE MG 1 42 LYS H . . 4.300 2.771 2.411 3.075 . 0 0 "[ . 1 . 2 . 3]" 1
748 1 41 ILE MG 1 43 ILE MD . . 4.900 2.337 2.062 2.708 . 0 0 "[ . 1 . 2 . 3]" 1
749 1 41 ILE MG 1 43 ILE QG . . 5.180 2.344 1.942 3.114 . 0 0 "[ . 1 . 2 . 3]" 1
750 1 41 ILE MG 1 59 ILE HA . . 6.000 3.907 3.488 4.168 . 0 0 "[ . 1 . 2 . 3]" 1
751 1 41 ILE MG 1 59 ILE MD . . 5.300 3.220 2.886 3.483 . 0 0 "[ . 1 . 2 . 3]" 1
752 1 41 ILE MG 1 59 ILE MG . . 5.800 3.277 2.895 3.603 . 0 0 "[ . 1 . 2 . 3]" 1
753 1 41 ILE N 1 110 TRP O . 2.700 3.200 2.743 2.624 2.962 0.076 5 0 "[ . 1 . 2 . 3]" 1
754 1 41 ILE O 1 110 TRP H . . 2.400 2.035 1.753 2.241 0.047 7 0 "[ . 1 . 2 . 3]" 1
755 1 41 ILE O 1 110 TRP N . 2.700 3.200 2.965 2.642 3.222 0.058 21 0 "[ . 1 . 2 . 3]" 1
756 1 42 LYS H 1 42 LYS HB2 . . 3.300 2.969 2.739 3.278 . 0 0 "[ . 1 . 2 . 3]" 1
757 1 42 LYS H 1 42 LYS HB3 . . 3.300 2.679 2.470 2.857 . 0 0 "[ . 1 . 2 . 3]" 1
758 1 42 LYS H 1 43 ILE H . . 5.500 4.305 4.075 4.412 . 0 0 "[ . 1 . 2 . 3]" 1
759 1 42 LYS H 1 58 LEU H . . 5.500 2.998 2.784 3.305 . 0 0 "[ . 1 . 2 . 3]" 1
760 1 42 LYS H 1 58 LEU O . . 2.400 1.832 1.731 2.000 0.069 10 0 "[ . 1 . 2 . 3]" 1
761 1 42 LYS H 1 59 ILE H . . 5.500 4.747 4.512 5.018 . 0 0 "[ . 1 . 2 . 3]" 1
762 1 42 LYS H 1 59 ILE HA . . 5.500 3.237 3.022 3.520 . 0 0 "[ . 1 . 2 . 3]" 1
763 1 42 LYS HA 1 43 ILE H . . 2.900 2.188 2.177 2.198 . 0 0 "[ . 1 . 2 . 3]" 1
764 1 42 LYS HA 1 109 GLU HA . . 3.300 3.015 2.435 3.303 0.003 10 0 "[ . 1 . 2 . 3]" 1
765 1 42 LYS HA 1 109 GLU QB . . 5.800 4.501 2.930 5.195 . 0 0 "[ . 1 . 2 . 3]" 1
766 1 42 LYS HA 1 109 GLU QG . . 5.800 3.973 3.086 5.252 . 0 0 "[ . 1 . 2 . 3]" 1
767 1 42 LYS HA 1 110 TRP H . . 5.000 3.781 3.284 4.223 . 0 0 "[ . 1 . 2 . 3]" 1
768 1 42 LYS QB 1 100 TYR QE . . 6.300 2.855 2.000 3.719 . 0 0 "[ . 1 . 2 . 3]" 1
769 1 42 LYS HB2 1 43 ILE H . . 6.000 4.404 4.168 4.589 . 0 0 "[ . 1 . 2 . 3]" 1
770 1 42 LYS HB3 1 43 ILE H . . 5.000 4.300 4.104 4.537 . 0 0 "[ . 1 . 2 . 3]" 1
771 1 42 LYS QE 1 107 VAL HA . . 6.800 4.946 4.210 5.369 . 0 0 "[ . 1 . 2 . 3]" 1
772 1 42 LYS QE 1 107 VAL HB . . 4.100 3.092 2.165 3.684 . 0 0 "[ . 1 . 2 . 3]" 1
773 1 42 LYS QE 1 107 VAL MG1 . . 5.100 3.195 2.358 3.745 . 0 0 "[ . 1 . 2 . 3]" 1
774 1 42 LYS QE 1 107 VAL MG2 . . 4.500 1.877 1.704 2.335 . 0 0 "[ . 1 . 2 . 3]" 1
775 1 42 LYS N 1 58 LEU O . 2.700 3.200 2.769 2.649 2.973 0.051 12 0 "[ . 1 . 2 . 3]" 1
776 1 42 LYS O 1 58 LEU H . . 2.400 1.765 1.699 1.894 0.101 9 0 "[ . 1 . 2 . 3]" 1
777 1 42 LYS O 1 58 LEU N . 2.700 3.200 2.700 2.649 2.812 0.051 9 0 "[ . 1 . 2 . 3]" 1
778 1 43 ILE H 1 107 VAL HA . . 5.500 5.433 4.801 5.582 0.082 20 0 "[ . 1 . 2 . 3]" 1
779 1 43 ILE H 1 108 LEU H . . 5.000 3.374 2.842 3.660 . 0 0 "[ . 1 . 2 . 3]" 1
780 1 43 ILE H 1 108 LEU O . . 2.400 2.229 1.908 2.402 0.002 5 0 "[ . 1 . 2 . 3]" 1
781 1 43 ILE H 1 109 GLU HA . . 5.500 3.644 3.089 4.085 . 0 0 "[ . 1 . 2 . 3]" 1
782 1 43 ILE H 1 110 TRP H . . 5.500 4.974 4.729 5.480 . 0 0 "[ . 1 . 2 . 3]" 1
783 1 43 ILE HA 1 44 CYS H . . 2.900 2.177 2.175 2.178 . 0 0 "[ . 1 . 2 . 3]" 1
784 1 43 ILE HA 1 57 ILE HA . . 3.300 2.386 2.235 2.480 . 0 0 "[ . 1 . 2 . 3]" 1
785 1 43 ILE HA 1 57 ILE MD . . 6.000 4.205 3.647 4.599 . 0 0 "[ . 1 . 2 . 3]" 1
786 1 43 ILE HA 1 57 ILE HG12 . . 5.500 2.710 2.109 3.175 . 0 0 "[ . 1 . 2 . 3]" 1
787 1 43 ILE HA 1 57 ILE HG13 . . 5.500 4.069 3.554 4.683 . 0 0 "[ . 1 . 2 . 3]" 1
788 1 43 ILE HA 1 57 ILE MG . . 4.800 3.678 3.456 3.867 . 0 0 "[ . 1 . 2 . 3]" 1
789 1 43 ILE HA 1 58 LEU H . . 5.500 3.512 3.172 3.726 . 0 0 "[ . 1 . 2 . 3]" 1
790 1 43 ILE HB 1 44 CYS H . . 6.000 4.418 4.274 4.491 . 0 0 "[ . 1 . 2 . 3]" 1
791 1 43 ILE MD 1 55 LEU QD . . 8.200 3.992 3.716 4.246 . 0 0 "[ . 1 . 2 . 3]" 1
792 1 43 ILE MD 1 57 ILE MD . . 5.300 2.816 2.220 3.222 . 0 0 "[ . 1 . 2 . 3]" 1
793 1 43 ILE MD 1 57 ILE MG . . 5.300 3.381 3.212 3.499 . 0 0 "[ . 1 . 2 . 3]" 1
794 1 43 ILE MD 1 108 LEU MD1 . . 5.300 3.316 3.132 3.448 . 0 0 "[ . 1 . 2 . 3]" 1
795 1 43 ILE QG 1 57 ILE MD . . 5.150 2.444 1.882 3.040 . 0 0 "[ . 1 . 2 . 3]" 1
796 1 43 ILE HG12 1 57 ILE MD . . 6.000 2.470 1.894 3.091 . 0 0 "[ . 1 . 2 . 3]" 1
797 1 43 ILE HG12 1 57 ILE MG . . 6.000 2.437 2.219 2.690 . 0 0 "[ . 1 . 2 . 3]" 1
798 1 43 ILE HG13 1 57 ILE MD . . 6.000 3.923 3.222 4.509 . 0 0 "[ . 1 . 2 . 3]" 1
799 1 43 ILE HG13 1 57 ILE MG . . 6.000 3.208 2.609 3.735 . 0 0 "[ . 1 . 2 . 3]" 1
800 1 43 ILE MG 1 44 CYS H . . 4.300 2.983 2.788 3.064 . 0 0 "[ . 1 . 2 . 3]" 1
801 1 43 ILE MG 1 55 LEU QD . . 5.900 2.046 1.775 2.388 . 0 0 "[ . 1 . 2 . 3]" 1
802 1 43 ILE MG 1 57 ILE MD . . 7.500 2.787 2.189 3.288 . 0 0 "[ . 1 . 2 . 3]" 1
803 1 43 ILE MG 1 57 ILE MG . . 7.500 3.786 3.135 4.140 . 0 0 "[ . 1 . 2 . 3]" 1
804 1 43 ILE N 1 108 LEU O . 2.700 3.200 3.184 2.830 3.241 0.041 21 0 "[ . 1 . 2 . 3]" 1
805 1 43 ILE O 1 108 LEU H . . 2.400 2.015 1.780 2.284 0.020 10 0 "[ . 1 . 2 . 3]" 1
806 1 43 ILE O 1 108 LEU N . 2.700 3.200 2.955 2.709 3.219 0.019 15 0 "[ . 1 . 2 . 3]" 1
807 1 44 CYS H 1 45 ARG H . . 5.500 4.391 4.339 4.480 . 0 0 "[ . 1 . 2 . 3]" 1
808 1 44 CYS H 1 56 HIS H . . 5.000 3.549 3.333 3.854 . 0 0 "[ . 1 . 2 . 3]" 1
809 1 44 CYS H 1 56 HIS O . . 2.400 2.090 1.855 2.316 . 0 0 "[ . 1 . 2 . 3]" 1
810 1 44 CYS H 1 57 ILE HA . . 5.500 3.317 3.163 3.467 . 0 0 "[ . 1 . 2 . 3]" 1
811 1 44 CYS HA 1 45 ARG H . . 2.900 2.285 2.257 2.295 . 0 0 "[ . 1 . 2 . 3]" 1
812 1 44 CYS HA 1 107 VAL HA . . 3.300 3.053 2.730 3.321 0.021 17 0 "[ . 1 . 2 . 3]" 1
813 1 44 CYS HA 1 107 VAL MG1 . . 6.500 3.025 1.902 4.328 . 0 0 "[ . 1 . 2 . 3]" 1
814 1 44 CYS HA 1 107 VAL MG2 . . 4.300 3.607 3.302 3.755 . 0 0 "[ . 1 . 2 . 3]" 1
815 1 44 CYS HA 1 108 LEU H . . 5.000 3.721 3.459 4.223 . 0 0 "[ . 1 . 2 . 3]" 1
816 1 44 CYS QB 1 45 ARG H . . 5.180 3.563 2.993 3.722 . 0 0 "[ . 1 . 2 . 3]" 1
817 1 44 CYS QB 1 56 HIS HD2 . . 5.880 4.987 4.686 5.157 . 0 0 "[ . 1 . 2 . 3]" 1
818 1 44 CYS QB 1 107 VAL MG2 . . 6.190 3.326 3.025 4.073 . 0 0 "[ . 1 . 2 . 3]" 1
819 1 44 CYS HB2 1 45 ARG H . . 5.500 4.184 3.940 4.451 . 0 0 "[ . 1 . 2 . 3]" 1
820 1 44 CYS HB2 1 100 TYR QE . . 7.200 3.761 2.303 4.561 . 0 0 "[ . 1 . 2 . 3]" 1
821 1 44 CYS HB2 1 107 VAL MG2 . . 6.500 3.506 3.069 4.870 . 0 0 "[ . 1 . 2 . 3]" 1
822 1 44 CYS HB3 1 45 ARG H . . 5.500 3.913 3.093 4.260 . 0 0 "[ . 1 . 2 . 3]" 1
823 1 44 CYS HB3 1 100 TYR QE . . 7.200 3.456 2.436 5.027 . 0 0 "[ . 1 . 2 . 3]" 1
824 1 44 CYS HB3 1 107 VAL MG2 . . 6.500 4.650 3.864 5.135 . 0 0 "[ . 1 . 2 . 3]" 1
825 1 44 CYS N 1 56 HIS O . 2.700 3.200 2.970 2.829 3.116 . 0 0 "[ . 1 . 2 . 3]" 1
826 1 44 CYS O 1 56 HIS H . . 2.400 1.862 1.711 2.031 0.089 13 0 "[ . 1 . 2 . 3]" 1
827 1 44 CYS O 1 56 HIS N . 2.700 3.200 2.766 2.666 2.951 0.034 13 0 "[ . 1 . 2 . 3]" 1
828 1 45 ARG H 1 45 ARG HB3 . . 3.300 2.666 2.633 2.685 . 0 0 "[ . 1 . 2 . 3]" 1
829 1 45 ARG H 1 107 VAL HA . . 5.500 3.833 3.502 4.403 . 0 0 "[ . 1 . 2 . 3]" 1
830 1 45 ARG HA 1 46 GLU H . . 2.900 2.328 2.311 2.360 . 0 0 "[ . 1 . 2 . 3]" 1
831 1 45 ARG HA 1 55 LEU HA . . 3.300 2.454 2.137 2.900 . 0 0 "[ . 1 . 2 . 3]" 1
832 1 45 ARG HA 1 55 LEU MD1 . . 4.300 3.340 3.169 3.596 . 0 0 "[ . 1 . 2 . 3]" 1
833 1 45 ARG HA 1 55 LEU MD2 . . 4.300 2.384 1.939 3.533 . 0 0 "[ . 1 . 2 . 3]" 1
834 1 45 ARG HB2 1 46 GLU H . . 5.500 4.255 4.203 4.289 . 0 0 "[ . 1 . 2 . 3]" 1
835 1 45 ARG HB3 1 46 GLU H . . 3.800 3.832 3.751 3.875 0.075 18 0 "[ . 1 . 2 . 3]" 1
836 1 46 GLU H 1 46 GLU HB3 . . 3.300 2.844 2.741 2.978 . 0 0 "[ . 1 . 2 . 3]" 1
837 1 46 GLU H 1 47 LEU H . . 5.500 4.291 4.233 4.422 . 0 0 "[ . 1 . 2 . 3]" 1
838 1 46 GLU H 1 54 HIS H . . 5.500 3.855 3.545 4.078 . 0 0 "[ . 1 . 2 . 3]" 1
839 1 46 GLU H 1 54 HIS O . . 2.400 2.054 1.779 2.266 0.021 14 0 "[ . 1 . 2 . 3]" 1
840 1 46 GLU H 1 55 LEU HA . . 5.500 2.744 2.475 2.999 . 0 0 "[ . 1 . 2 . 3]" 1
841 1 46 GLU HA 1 47 LEU H . . 2.900 2.258 2.240 2.430 . 0 0 "[ . 1 . 2 . 3]" 1
842 1 46 GLU HB2 1 47 LEU H . . 5.000 4.224 4.025 4.374 . 0 0 "[ . 1 . 2 . 3]" 1
843 1 46 GLU HB2 1 48 HIS HD2 . . 5.500 5.471 5.268 5.535 0.035 18 0 "[ . 1 . 2 . 3]" 1
844 1 46 GLU HB2 1 54 HIS HE1 . . 5.000 4.460 3.823 4.986 . 0 0 "[ . 1 . 2 . 3]" 1
845 1 46 GLU HB2 1 56 HIS HD2 . . 5.000 3.970 3.377 4.819 . 0 0 "[ . 1 . 2 . 3]" 1
846 1 46 GLU HB3 1 47 LEU H . . 5.500 4.132 3.653 4.331 . 0 0 "[ . 1 . 2 . 3]" 1
847 1 46 GLU HB3 1 56 HIS HD2 . . 5.000 4.015 3.406 4.450 . 0 0 "[ . 1 . 2 . 3]" 1
848 1 46 GLU QG 1 48 HIS HD2 . . 5.800 2.820 2.480 3.497 . 0 0 "[ . 1 . 2 . 3]" 1
849 1 46 GLU QG 1 56 HIS HD2 . . 5.180 4.498 4.047 4.735 . 0 0 "[ . 1 . 2 . 3]" 1
850 1 46 GLU HG2 1 56 HIS HD2 . . 5.500 4.869 4.159 5.520 0.020 14 0 "[ . 1 . 2 . 3]" 1
851 1 46 GLU HG3 1 56 HIS HD2 . . 5.500 5.437 5.059 5.575 0.075 28 0 "[ . 1 . 2 . 3]" 1
852 1 46 GLU N 1 54 HIS O . 2.700 3.200 3.010 2.739 3.218 0.018 27 0 "[ . 1 . 2 . 3]" 1
853 1 46 GLU O 1 54 HIS H . . 2.400 2.044 1.822 2.343 . 0 0 "[ . 1 . 2 . 3]" 1
854 1 46 GLU O 1 54 HIS N . 2.700 3.200 2.824 2.661 3.089 0.039 14 0 "[ . 1 . 2 . 3]" 1
855 1 47 LEU H 1 47 LEU HB2 . . 3.300 2.326 2.272 2.532 . 0 0 "[ . 1 . 2 . 3]" 1
856 1 47 LEU H 1 53 PRO HA . . 5.500 5.471 5.141 5.582 0.082 9 0 "[ . 1 . 2 . 3]" 1
857 1 47 LEU HA 1 47 LEU HB3 . . 2.900 2.591 2.540 2.618 . 0 0 "[ . 1 . 2 . 3]" 1
858 1 47 LEU HA 1 48 HIS H . . 2.900 2.225 2.214 2.229 . 0 0 "[ . 1 . 2 . 3]" 1
859 1 47 LEU HA 1 48 HIS HD2 . . 5.500 4.123 3.819 4.475 . 0 0 "[ . 1 . 2 . 3]" 1
860 1 47 LEU HA 1 53 PRO HA . . 3.300 2.706 2.486 2.843 . 0 0 "[ . 1 . 2 . 3]" 1
861 1 47 LEU HA 1 54 HIS H . . 5.500 2.387 1.972 2.872 . 0 0 "[ . 1 . 2 . 3]" 1
862 1 47 LEU QB 1 48 HIS HB2 . . 5.800 5.058 5.004 5.162 . 0 0 "[ . 1 . 2 . 3]" 1
863 1 47 LEU HB2 1 48 HIS H . . 5.500 4.312 4.263 4.344 . 0 0 "[ . 1 . 2 . 3]" 1
864 1 47 LEU HB3 1 48 HIS H . . 3.300 3.221 3.198 3.274 . 0 0 "[ . 1 . 2 . 3]" 1
865 1 47 LEU MD1 1 53 PRO HA . . 3.700 2.227 1.809 2.984 . 0 0 "[ . 1 . 2 . 3]" 1
866 1 47 LEU MD1 1 53 PRO QB . . 6.800 2.320 1.850 3.215 . 0 0 "[ . 1 . 2 . 3]" 1
867 1 47 LEU MD1 1 53 PRO QG . . 6.800 3.887 3.429 4.903 . 0 0 "[ . 1 . 2 . 3]" 1
868 1 47 LEU MD2 1 53 PRO HA . . 4.300 3.331 2.830 3.620 . 0 0 "[ . 1 . 2 . 3]" 1
869 1 47 LEU MD2 1 53 PRO QG . . 7.300 4.996 4.374 5.269 . 0 0 "[ . 1 . 2 . 3]" 1
870 1 48 HIS H 1 48 HIS HB2 . . 2.900 2.289 2.227 2.423 . 0 0 "[ . 1 . 2 . 3]" 1
871 1 48 HIS H 1 48 HIS HB3 . . 3.800 3.532 3.500 3.600 . 0 0 "[ . 1 . 2 . 3]" 1
872 1 48 HIS H 1 51 GLY HA2 . . 5.500 5.275 4.915 5.533 0.033 7 0 "[ . 1 . 2 . 3]" 1
873 1 48 HIS H 1 52 GLU H . . 5.500 3.914 3.731 4.133 . 0 0 "[ . 1 . 2 . 3]" 1
874 1 48 HIS H 1 52 GLU O . . 2.400 2.027 1.852 2.267 . 0 0 "[ . 1 . 2 . 3]" 1
875 1 48 HIS H 1 53 PRO HA . . 5.000 3.307 3.155 3.786 . 0 0 "[ . 1 . 2 . 3]" 1
876 1 48 HIS H 1 54 HIS H . . 5.500 3.437 3.041 4.243 . 0 0 "[ . 1 . 2 . 3]" 1
877 1 48 HIS HA 1 48 HIS HB3 . . 2.900 2.578 2.483 2.624 . 0 0 "[ . 1 . 2 . 3]" 1
878 1 48 HIS HD2 1 52 GLU QG . . 5.800 4.730 4.417 5.117 . 0 0 "[ . 1 . 2 . 3]" 1
879 1 48 HIS HE1 1 52 GLU HG2 . . 5.500 5.522 5.488 5.580 0.080 23 0 "[ . 1 . 2 . 3]" 1
880 1 48 HIS HE1 1 52 GLU HG3 . . 5.500 4.738 4.260 5.588 0.088 10 0 "[ . 1 . 2 . 3]" 1
881 1 48 HIS N 1 52 GLU O . 2.700 3.200 2.977 2.825 3.237 0.037 29 0 "[ . 1 . 2 . 3]" 1
882 1 48 HIS O 1 51 GLY H . . 2.400 2.168 2.031 2.277 . 0 0 "[ . 1 . 2 . 3]" 1
883 1 48 HIS O 1 51 GLY N . 2.700 3.200 3.109 2.971 3.231 0.031 23 0 "[ . 1 . 2 . 3]" 1
884 1 49 GLU H 1 50 ASN H . . 3.300 2.575 2.524 2.653 . 0 0 "[ . 1 . 2 . 3]" 1
885 1 49 GLU HA 1 51 GLY H . . 5.000 3.231 3.126 3.305 . 0 0 "[ . 1 . 2 . 3]" 1
886 1 50 ASN H 1 51 GLY H . . 5.000 2.463 2.406 2.540 . 0 0 "[ . 1 . 2 . 3]" 1
887 1 50 ASN HA 1 51 GLY H . . 3.300 3.334 3.304 3.386 0.086 26 0 "[ . 1 . 2 . 3]" 1
888 1 50 ASN QB 1 50 ASN HD21 . . 3.040 2.186 2.076 2.431 . 0 0 "[ . 1 . 2 . 3]" 1
889 1 51 GLY H 1 52 GLU H . . 2.900 2.469 2.391 2.576 . 0 0 "[ . 1 . 2 . 3]" 1
890 1 51 GLY HA3 1 52 GLU H . . 3.300 3.385 3.342 3.417 0.117 14 0 "[ . 1 . 2 . 3]" 1
891 1 52 GLU H 1 52 GLU QB . . 3.680 2.670 2.524 2.723 . 0 0 "[ . 1 . 2 . 3]" 1
892 1 52 GLU HA 1 53 PRO HD2 . . 3.300 2.422 2.296 2.520 . 0 0 "[ . 1 . 2 . 3]" 1
893 1 52 GLU HA 1 53 PRO HD3 . . 3.300 1.935 1.928 1.971 . 0 0 "[ . 1 . 2 . 3]" 1
894 1 52 GLU QB 1 53 PRO QD . . 4.080 2.671 2.458 2.970 . 0 0 "[ . 1 . 2 . 3]" 1
895 1 52 GLU HB2 1 53 PRO HD2 . . 5.050 2.822 2.560 3.214 . 0 0 "[ . 1 . 2 . 3]" 1
896 1 52 GLU HB2 1 53 PRO HD3 . . 5.050 3.726 3.491 4.039 . 0 0 "[ . 1 . 2 . 3]" 1
897 1 52 GLU HB3 1 53 PRO HD2 . . 5.050 4.028 3.889 4.226 . 0 0 "[ . 1 . 2 . 3]" 1
898 1 52 GLU HB3 1 53 PRO HD3 . . 5.050 4.322 4.219 4.458 . 0 0 "[ . 1 . 2 . 3]" 1
899 1 53 PRO HA 1 54 HIS H . . 2.900 2.169 2.150 2.274 . 0 0 "[ . 1 . 2 . 3]" 1
900 1 54 HIS H 1 55 LEU H . . 5.500 4.499 4.382 4.542 . 0 0 "[ . 1 . 2 . 3]" 1
901 1 54 HIS HA 1 54 HIS HD2 . . 3.300 2.964 2.734 3.310 0.010 8 0 "[ . 1 . 2 . 3]" 1
902 1 54 HIS HA 1 55 LEU H . . 2.900 2.380 2.314 2.407 . 0 0 "[ . 1 . 2 . 3]" 1
903 1 54 HIS HB2 1 55 LEU H . . 3.800 3.754 3.627 3.878 0.078 23 0 "[ . 1 . 2 . 3]" 1
904 1 54 HIS HB3 1 55 LEU H . . 5.000 4.065 4.022 4.180 . 0 0 "[ . 1 . 2 . 3]" 1
905 1 55 LEU H 1 56 HIS H . . 5.500 4.381 4.341 4.443 . 0 0 "[ . 1 . 2 . 3]" 1
906 1 55 LEU HA 1 56 HIS H . . 2.900 2.252 2.223 2.279 . 0 0 "[ . 1 . 2 . 3]" 1
907 1 55 LEU HG 1 56 HIS H . . 5.500 4.032 2.731 4.451 . 0 0 "[ . 1 . 2 . 3]" 1
908 1 56 HIS HA 1 57 ILE H . . 2.900 2.285 2.240 2.347 . 0 0 "[ . 1 . 2 . 3]" 1
909 1 56 HIS QB 1 100 TYR QE . . 6.300 3.474 2.514 4.248 . 0 0 "[ . 1 . 2 . 3]" 1
910 1 56 HIS HD2 1 100 TYR QE . . 7.200 4.246 3.246 5.710 . 0 0 "[ . 1 . 2 . 3]" 1
911 1 57 ILE H 1 58 LEU H . . 5.500 4.314 4.279 4.362 . 0 0 "[ . 1 . 2 . 3]" 1
912 1 57 ILE HA 1 58 LEU H . . 2.900 2.243 2.223 2.270 . 0 0 "[ . 1 . 2 . 3]" 1
913 1 58 LEU H 1 58 LEU HB2 . . 3.300 3.267 3.135 3.356 0.056 12 0 "[ . 1 . 2 . 3]" 1
914 1 58 LEU H 1 100 TYR QE . . 7.200 4.078 3.615 4.814 . 0 0 "[ . 1 . 2 . 3]" 1
915 1 58 LEU HA 1 59 ILE H . . 2.900 2.182 2.180 2.185 . 0 0 "[ . 1 . 2 . 3]" 1
916 1 58 LEU HB2 1 59 ILE H . . 5.500 4.435 4.381 4.512 . 0 0 "[ . 1 . 2 . 3]" 1
917 1 58 LEU HB2 1 100 TYR QE . . 5.500 2.743 2.010 3.684 . 0 0 "[ . 1 . 2 . 3]" 1
918 1 58 LEU HB3 1 59 ILE H . . 5.000 4.481 4.399 4.532 . 0 0 "[ . 1 . 2 . 3]" 1
919 1 58 LEU MD1 1 97 VAL HB . . 6.500 2.308 2.110 2.598 . 0 0 "[ . 1 . 2 . 3]" 1
920 1 58 LEU MD1 1 97 VAL MG1 . . 5.300 3.175 2.776 3.451 . 0 0 "[ . 1 . 2 . 3]" 1
921 1 58 LEU MD1 1 97 VAL MG2 . . 5.300 3.475 3.220 3.563 . 0 0 "[ . 1 . 2 . 3]" 1
922 1 58 LEU MD1 1 100 TYR QD . . 5.900 3.001 2.611 3.375 . 0 0 "[ . 1 . 2 . 3]" 1
923 1 58 LEU MD1 1 100 TYR QE . . 6.500 3.263 2.732 3.581 . 0 0 "[ . 1 . 2 . 3]" 1
924 1 58 LEU MD1 1 113 PHE QD . . 6.500 3.634 3.330 4.198 . 0 0 "[ . 1 . 2 . 3]" 1
925 1 58 LEU MD1 1 113 PHE QE . . 6.100 2.589 2.076 3.291 . 0 0 "[ . 1 . 2 . 3]" 1
926 1 58 LEU MD1 1 113 PHE HZ . . 6.000 4.054 3.458 4.887 . 0 0 "[ . 1 . 2 . 3]" 1
927 1 58 LEU MD2 1 97 VAL MG1 . . 4.900 2.851 2.382 3.054 . 0 0 "[ . 1 . 2 . 3]" 1
928 1 58 LEU MD2 1 97 VAL MG2 . . 7.500 4.395 4.187 4.601 . 0 0 "[ . 1 . 2 . 3]" 1
929 1 59 ILE H 1 59 ILE MD . . 4.300 3.125 2.650 3.528 . 0 0 "[ . 1 . 2 . 3]" 1
930 1 59 ILE HA 1 60 GLN H . . 2.900 2.338 2.302 2.371 . 0 0 "[ . 1 . 2 . 3]" 1
931 1 59 ILE MD 1 60 GLN H . . 6.000 5.045 4.970 5.104 . 0 0 "[ . 1 . 2 . 3]" 1
932 1 59 ILE MD 1 61 PHE QE . . 6.500 4.052 3.776 4.200 . 0 0 "[ . 1 . 2 . 3]" 1
933 1 59 ILE MD 1 61 PHE HZ . . 4.800 3.708 3.462 3.852 . 0 0 "[ . 1 . 2 . 3]" 1
934 1 59 ILE MD 1 73 PHE QD . . 6.700 3.901 3.603 4.109 . 0 0 "[ . 1 . 2 . 3]" 1
935 1 59 ILE MD 1 73 PHE QE . . 5.900 2.356 2.107 2.577 . 0 0 "[ . 1 . 2 . 3]" 1
936 1 59 ILE MD 1 73 PHE HZ . . 4.300 3.417 3.243 3.538 . 0 0 "[ . 1 . 2 . 3]" 1
937 1 59 ILE MG 1 60 GLN H . . 3.900 2.074 1.869 2.250 . 0 0 "[ . 1 . 2 . 3]" 1
938 1 59 ILE MG 1 61 PHE QD . . 6.500 3.766 3.581 3.994 . 0 0 "[ . 1 . 2 . 3]" 1
939 1 59 ILE MG 1 61 PHE QE . . 5.900 3.258 3.010 3.341 . 0 0 "[ . 1 . 2 . 3]" 1
940 1 59 ILE MG 1 61 PHE HZ . . 4.300 3.349 3.145 3.448 . 0 0 "[ . 1 . 2 . 3]" 1
941 1 60 GLN H 1 61 PHE H . . 5.000 4.201 4.118 4.430 . 0 0 "[ . 1 . 2 . 3]" 1
942 1 60 GLN HA 1 61 PHE H . . 3.300 2.221 2.202 2.328 . 0 0 "[ . 1 . 2 . 3]" 1
943 1 60 GLN HE21 1 114 GLN H . . 5.000 4.736 3.624 5.004 0.004 20 0 "[ . 1 . 2 . 3]" 1
944 1 60 GLN HE22 1 114 GLN H . . 5.000 3.451 1.960 3.950 . 0 0 "[ . 1 . 2 . 3]" 1
945 1 60 GLN OE1 1 114 GLN H . . 2.400 2.183 1.860 2.444 0.044 11 0 "[ . 1 . 2 . 3]" 1
946 1 60 GLN OE1 1 114 GLN N . 2.700 3.200 3.081 2.789 3.358 0.158 11 0 "[ . 1 . 2 . 3]" 1
947 1 61 PHE H 1 61 PHE HB2 . . 3.300 2.416 2.271 2.516 . 0 0 "[ . 1 . 2 . 3]" 1
948 1 61 PHE H 1 62 GLU H . . 5.500 4.589 4.498 4.612 . 0 0 "[ . 1 . 2 . 3]" 1
949 1 61 PHE HA 1 62 GLU H . . 2.900 2.385 2.316 2.410 . 0 0 "[ . 1 . 2 . 3]" 1
950 1 61 PHE HA 1 63 GLY H . . 5.500 4.149 4.056 4.183 . 0 0 "[ . 1 . 2 . 3]" 1
951 1 61 PHE HB2 1 62 GLU H . . 5.000 3.779 3.679 4.032 . 0 0 "[ . 1 . 2 . 3]" 1
952 1 61 PHE HB3 1 62 GLU H . . 3.300 2.767 2.712 2.951 . 0 0 "[ . 1 . 2 . 3]" 1
953 1 61 PHE QD 1 62 GLU H . . 7.200 4.093 3.731 4.227 . 0 0 "[ . 1 . 2 . 3]" 1
954 1 61 PHE QD 1 65 TYR QD . . 9.400 3.605 3.214 4.021 . 0 0 "[ . 1 . 2 . 3]" 1
955 1 61 PHE QD 1 65 TYR QE . . 10.400 5.381 4.875 5.665 . 0 0 "[ . 1 . 2 . 3]" 1
956 1 61 PHE QE 1 65 TYR QD . . 7.300 2.554 2.038 3.303 . 0 0 "[ . 1 . 2 . 3]" 1
957 1 61 PHE QE 1 65 TYR QE . . 9.400 3.923 3.426 4.355 . 0 0 "[ . 1 . 2 . 3]" 1
958 1 61 PHE QE 1 73 PHE QE . . 10.400 4.263 4.055 4.507 . 0 0 "[ . 1 . 2 . 3]" 1
959 1 61 PHE HZ 1 65 TYR QD . . 7.200 3.375 3.019 4.075 . 0 0 "[ . 1 . 2 . 3]" 1
960 1 61 PHE HZ 1 65 TYR QE . . 7.700 3.654 3.026 4.238 . 0 0 "[ . 1 . 2 . 3]" 1
961 1 61 PHE HZ 1 73 PHE QE . . 5.500 3.712 3.405 4.067 . 0 0 "[ . 1 . 2 . 3]" 1
962 1 62 GLU H 1 62 GLU HA . . 2.900 2.767 2.754 2.790 . 0 0 "[ . 1 . 2 . 3]" 1
963 1 62 GLU H 1 62 GLU HB2 . . 2.900 2.253 2.233 2.286 . 0 0 "[ . 1 . 2 . 3]" 1
964 1 62 GLU H 1 62 GLU HB3 . . 3.300 2.722 2.697 2.745 . 0 0 "[ . 1 . 2 . 3]" 1
965 1 62 GLU H 1 63 GLY H . . 3.300 2.654 2.588 2.689 . 0 0 "[ . 1 . 2 . 3]" 1
966 1 62 GLU HA 1 62 GLU HB2 . . 2.900 2.600 2.596 2.605 . 0 0 "[ . 1 . 2 . 3]" 1
967 1 62 GLU HB2 1 63 GLY H . . 3.800 3.866 3.848 3.875 0.075 25 0 "[ . 1 . 2 . 3]" 1
968 1 62 GLU HB3 1 63 GLY H . . 5.000 2.895 2.873 2.905 . 0 0 "[ . 1 . 2 . 3]" 1
969 1 63 GLY H 1 63 GLY HA2 . . 2.900 2.960 2.954 2.961 0.061 8 0 "[ . 1 . 2 . 3]" 1
970 1 63 GLY H 1 64 LYS H . . 5.000 4.489 4.455 4.506 . 0 0 "[ . 1 . 2 . 3]" 1
971 1 63 GLY HA2 1 64 LYS H . . 2.900 2.390 2.347 2.490 . 0 0 "[ . 1 . 2 . 3]" 1
972 1 63 GLY HA3 1 64 LYS H . . 3.500 2.882 2.759 2.943 . 0 0 "[ . 1 . 2 . 3]" 1
973 1 64 LYS H 1 64 LYS HB2 . . 3.300 2.245 2.227 2.283 . 0 0 "[ . 1 . 2 . 3]" 1
974 1 64 LYS H 1 65 TYR H . . 5.500 4.476 4.394 4.533 . 0 0 "[ . 1 . 2 . 3]" 1
975 1 64 LYS HA 1 64 LYS HB3 . . 2.900 2.611 2.587 2.621 . 0 0 "[ . 1 . 2 . 3]" 1
976 1 64 LYS HA 1 65 TYR H . . 2.900 2.180 2.176 2.193 . 0 0 "[ . 1 . 2 . 3]" 1
977 1 64 LYS HB2 1 65 TYR H . . 5.000 4.552 4.502 4.600 . 0 0 "[ . 1 . 2 . 3]" 1
978 1 64 LYS HB3 1 65 TYR H . . 5.000 3.703 3.571 3.855 . 0 0 "[ . 1 . 2 . 3]" 1
979 1 65 TYR H 1 65 TYR HB2 . . 3.300 2.798 2.670 2.911 . 0 0 "[ . 1 . 2 . 3]" 1
980 1 65 TYR H 1 65 TYR HB3 . . 3.300 2.092 2.030 2.178 . 0 0 "[ . 1 . 2 . 3]" 1
981 1 65 TYR HA 1 65 TYR HB2 . . 2.900 2.448 2.421 2.482 . 0 0 "[ . 1 . 2 . 3]" 1
982 1 65 TYR HA 1 66 ASN H . . 2.900 2.256 2.220 2.283 . 0 0 "[ . 1 . 2 . 3]" 1
983 1 65 TYR HB2 1 66 ASN H . . 5.500 4.080 4.016 4.168 . 0 0 "[ . 1 . 2 . 3]" 1
984 1 65 TYR HB3 1 66 ASN H . . 5.000 4.279 4.198 4.380 . 0 0 "[ . 1 . 2 . 3]" 1
985 1 65 TYR QD 1 66 ASN H . . 7.200 2.051 1.927 3.341 . 0 0 "[ . 1 . 2 . 3]" 1
986 1 65 TYR QD 1 67 CYS QB . . 8.580 3.378 2.491 3.638 . 0 0 "[ . 1 . 2 . 3]" 1
987 1 65 TYR QD 1 73 PHE QE . . 9.400 4.008 3.718 4.581 . 0 0 "[ . 1 . 2 . 3]" 1
988 1 65 TYR QD 1 73 PHE HZ . . 5.500 3.726 3.442 5.018 . 0 0 "[ . 1 . 2 . 3]" 1
989 1 65 TYR QE 1 67 CYS HA . . 5.500 3.416 1.996 3.706 . 0 0 "[ . 1 . 2 . 3]" 1
990 1 65 TYR QE 1 67 CYS HB2 . . 5.500 2.759 1.981 3.164 . 0 0 "[ . 1 . 2 . 3]" 1
991 1 65 TYR QE 1 67 CYS HB3 . . 5.500 4.259 3.437 4.701 . 0 0 "[ . 1 . 2 . 3]" 1
992 1 65 TYR QE 1 72 PHE QD . . 9.400 2.885 2.362 3.778 . 0 0 "[ . 1 . 2 . 3]" 1
993 1 65 TYR QE 1 72 PHE QE . . 7.700 2.829 2.246 3.633 . 0 0 "[ . 1 . 2 . 3]" 1
994 1 65 TYR QE 1 72 PHE HZ . . 7.700 4.725 3.870 5.297 . 0 0 "[ . 1 . 2 . 3]" 1
995 1 65 TYR QE 1 73 PHE QD . . 10.400 4.218 3.981 4.872 . 0 0 "[ . 1 . 2 . 3]" 1
996 1 65 TYR QE 1 73 PHE QE . . 7.700 2.430 1.996 3.590 . 0 0 "[ . 1 . 2 . 3]" 1
997 1 65 TYR QE 1 73 PHE HZ . . 5.100 2.915 2.387 4.583 . 0 0 "[ . 1 . 2 . 3]" 1
998 1 66 ASN H 1 66 ASN HB3 . . 3.300 2.791 2.770 2.810 . 0 0 "[ . 1 . 2 . 3]" 1
999 1 66 ASN HA 1 66 ASN HD21 . . 3.800 2.511 2.451 2.556 . 0 0 "[ . 1 . 2 . 3]" 1
1000 1 66 ASN HA 1 66 ASN HD22 . . 5.000 3.512 3.475 3.541 . 0 0 "[ . 1 . 2 . 3]" 1
1001 1 66 ASN HA 1 67 CYS H . . 2.900 2.258 2.252 2.270 . 0 0 "[ . 1 . 2 . 3]" 1
1002 1 66 ASN HB2 1 67 CYS H . . 5.500 4.621 4.495 4.663 . 0 0 "[ . 1 . 2 . 3]" 1
1003 1 66 ASN HB3 1 67 CYS H . . 5.000 4.174 3.959 4.250 . 0 0 "[ . 1 . 2 . 3]" 1
1004 1 66 ASN HD21 1 67 CYS H . . 3.500 2.411 1.910 2.635 . 0 0 "[ . 1 . 2 . 3]" 1
1005 1 66 ASN HD21 1 68 THR H . . 2.400 2.487 2.462 2.526 0.126 13 0 "[ . 1 . 2 . 3]" 1
1006 1 66 ASN HD21 1 68 THR HA . . 5.000 3.874 3.790 3.980 . 0 0 "[ . 1 . 2 . 3]" 1
1007 1 66 ASN HD21 1 68 THR MG . . 4.300 2.679 2.539 2.936 . 0 0 "[ . 1 . 2 . 3]" 1
1008 1 66 ASN HD22 1 67 CYS H . . 5.000 3.750 3.241 3.973 . 0 0 "[ . 1 . 2 . 3]" 1
1009 1 66 ASN HD22 1 68 THR MG . . 3.700 2.919 2.817 3.056 . 0 0 "[ . 1 . 2 . 3]" 1
1010 1 66 ASN ND2 1 68 THR N . . 3.600 3.493 3.420 3.564 . 0 0 "[ . 1 . 2 . 3]" 1
1011 1 67 CYS HA 1 68 THR H . . 2.900 2.503 2.480 2.531 . 0 0 "[ . 1 . 2 . 3]" 1
1012 1 67 CYS HA 1 68 THR MG . . 6.500 3.949 3.856 4.010 . 0 0 "[ . 1 . 2 . 3]" 1
1013 1 67 CYS HA 1 69 ASN H . . 5.000 3.256 3.112 3.326 . 0 0 "[ . 1 . 2 . 3]" 1
1014 1 68 THR H 1 68 THR MG . . 4.300 1.920 1.845 1.990 . 0 0 "[ . 1 . 2 . 3]" 1
1015 1 68 THR H 1 69 ASN H . . 2.900 2.907 2.776 2.934 0.034 13 0 "[ . 1 . 2 . 3]" 1
1016 1 68 THR HA 1 68 THR HB . . 2.900 2.430 2.399 2.487 . 0 0 "[ . 1 . 2 . 3]" 1
1017 1 68 THR MG 1 69 ASN H . . 6.500 3.636 3.514 3.760 . 0 0 "[ . 1 . 2 . 3]" 1
1018 1 69 ASN H 1 69 ASN HA . . 2.900 2.834 2.800 2.864 . 0 0 "[ . 1 . 2 . 3]" 1
1019 1 69 ASN H 1 69 ASN HB2 . . 3.300 3.265 3.186 3.330 0.030 8 0 "[ . 1 . 2 . 3]" 1
1020 1 69 ASN H 1 69 ASN HB3 . . 3.300 3.109 2.975 3.203 . 0 0 "[ . 1 . 2 . 3]" 1
1021 1 69 ASN H 1 70 GLN H . . 5.500 3.948 3.718 4.096 . 0 0 "[ . 1 . 2 . 3]" 1
1022 1 69 ASN HA 1 70 GLN H . . 2.900 2.256 2.251 2.273 . 0 0 "[ . 1 . 2 . 3]" 1
1023 1 69 ASN HA 1 71 ARG H . . 5.000 3.997 3.694 4.299 . 0 0 "[ . 1 . 2 . 3]" 1
1024 1 69 ASN QB 1 69 ASN HD21 . . 2.880 2.227 2.169 2.255 . 0 0 "[ . 1 . 2 . 3]" 1
1025 1 69 ASN QB 1 69 ASN HD22 . . 3.550 3.232 3.231 3.233 . 0 0 "[ . 1 . 2 . 3]" 1
1026 1 69 ASN HB2 1 69 ASN HD21 . . 3.300 2.671 2.417 2.871 . 0 0 "[ . 1 . 2 . 3]" 1
1027 1 69 ASN HB2 1 69 ASN HD22 . . 3.800 3.694 3.577 3.789 . 0 0 "[ . 1 . 2 . 3]" 1
1028 1 69 ASN HB3 1 69 ASN HD21 . . 3.300 2.408 2.244 2.653 . 0 0 "[ . 1 . 2 . 3]" 1
1029 1 69 ASN HB3 1 69 ASN HD22 . . 3.800 3.574 3.503 3.684 . 0 0 "[ . 1 . 2 . 3]" 1
1030 1 69 ASN O 1 71 ARG H . . 2.400 2.175 1.780 2.443 0.043 21 0 "[ . 1 . 2 . 3]" 1
1031 1 69 ASN O 1 71 ARG N . 2.700 3.200 2.968 2.657 3.159 0.043 4 0 "[ . 1 . 2 . 3]" 1
1032 1 70 GLN H 1 71 ARG H . . 5.000 3.243 2.908 3.598 . 0 0 "[ . 1 . 2 . 3]" 1
1033 1 70 GLN HA 1 71 ARG H . . 3.300 2.805 2.631 3.007 . 0 0 "[ . 1 . 2 . 3]" 1
1034 1 70 GLN HA 1 72 PHE H . . 5.500 3.564 3.449 3.690 . 0 0 "[ . 1 . 2 . 3]" 1
1035 1 70 GLN HA 1 85 HIS HE1 . . 5.500 4.368 3.952 4.739 . 0 0 "[ . 1 . 2 . 3]" 1
1036 1 70 GLN HA 1 88 ILE MD . . 4.300 1.861 1.762 2.076 . 0 0 "[ . 1 . 2 . 3]" 1
1037 1 70 GLN HB2 1 85 HIS HE1 . . 3.300 2.889 2.001 3.376 0.076 3 0 "[ . 1 . 2 . 3]" 1
1038 1 70 GLN HB3 1 85 HIS HE1 . . 3.300 2.508 1.988 3.339 0.039 21 0 "[ . 1 . 2 . 3]" 1
1039 1 70 GLN QG 1 71 ARG H . . 5.800 4.177 3.539 4.465 . 0 0 "[ . 1 . 2 . 3]" 1
1040 1 70 GLN QG 1 85 HIS HE1 . . 4.230 3.294 2.549 3.848 . 0 0 "[ . 1 . 2 . 3]" 1
1041 1 70 GLN HG2 1 85 HIS HE1 . . 5.000 3.853 2.575 4.881 . 0 0 "[ . 1 . 2 . 3]" 1
1042 1 70 GLN HG3 1 85 HIS HE1 . . 5.000 4.058 3.202 4.641 . 0 0 "[ . 1 . 2 . 3]" 1
1043 1 70 GLN OE1 1 85 HIS HE2 . . 2.400 2.320 2.011 2.443 0.043 23 0 "[ . 1 . 2 . 3]" 1
1044 1 70 GLN OE1 1 85 HIS NE2 . 2.700 3.200 3.028 2.694 3.215 0.015 17 0 "[ . 1 . 2 . 3]" 1
1045 1 71 ARG H 1 71 ARG HB2 . . 3.300 2.520 2.471 2.570 . 0 0 "[ . 1 . 2 . 3]" 1
1046 1 71 ARG H 1 71 ARG QD . . 5.800 4.641 4.470 4.766 . 0 0 "[ . 1 . 2 . 3]" 1
1047 1 71 ARG H 1 71 ARG QG . . 3.300 2.973 2.833 3.034 . 0 0 "[ . 1 . 2 . 3]" 1
1048 1 71 ARG H 1 72 PHE H . . 2.900 1.850 1.782 1.942 . 0 0 "[ . 1 . 2 . 3]" 1
1049 1 71 ARG HB2 1 72 PHE H . . 5.000 3.198 2.941 3.412 . 0 0 "[ . 1 . 2 . 3]" 1
1050 1 71 ARG HB3 1 72 PHE H . . 5.500 4.069 3.926 4.205 . 0 0 "[ . 1 . 2 . 3]" 1
1051 1 71 ARG QG 1 72 PHE H . . 5.000 4.268 4.148 4.369 . 0 0 "[ . 1 . 2 . 3]" 1
1052 1 72 PHE H 1 72 PHE HB2 . . 3.300 2.669 2.508 2.750 . 0 0 "[ . 1 . 2 . 3]" 1
1053 1 72 PHE H 1 72 PHE HB3 . . 3.300 2.112 2.052 2.246 . 0 0 "[ . 1 . 2 . 3]" 1
1054 1 72 PHE H 1 73 PHE H . . 3.300 2.472 2.436 2.496 . 0 0 "[ . 1 . 2 . 3]" 1
1055 1 72 PHE H 1 74 ASP H . . 5.000 3.821 3.778 3.895 . 0 0 "[ . 1 . 2 . 3]" 1
1056 1 72 PHE HB2 1 73 PHE H . . 5.500 4.025 3.886 4.164 . 0 0 "[ . 1 . 2 . 3]" 1
1057 1 72 PHE HB2 1 74 ASP H . . 5.500 5.369 5.313 5.566 0.066 30 0 "[ . 1 . 2 . 3]" 1
1058 1 72 PHE HB3 1 73 PHE H . . 3.300 2.694 2.541 3.007 . 0 0 "[ . 1 . 2 . 3]" 1
1059 1 72 PHE QD 1 73 PHE QD . . 9.400 3.357 3.067 3.692 . 0 0 "[ . 1 . 2 . 3]" 1
1060 1 72 PHE QD 1 73 PHE QE . . 7.700 3.398 3.004 3.956 . 0 0 "[ . 1 . 2 . 3]" 1
1061 1 72 PHE QE 1 73 PHE QD . . 9.400 4.235 3.871 4.449 . 0 0 "[ . 1 . 2 . 3]" 1
1062 1 72 PHE QE 1 73 PHE QE . . 9.900 3.365 3.039 3.715 . 0 0 "[ . 1 . 2 . 3]" 1
1063 1 73 PHE H 1 73 PHE HB2 . . 3.300 2.107 2.080 2.233 . 0 0 "[ . 1 . 2 . 3]" 1
1064 1 73 PHE H 1 74 ASP H . . 3.300 2.622 2.324 2.672 . 0 0 "[ . 1 . 2 . 3]" 1
1065 1 73 PHE HA 1 73 PHE HB3 . . 2.900 2.691 2.680 2.699 . 0 0 "[ . 1 . 2 . 3]" 1
1066 1 73 PHE HB2 1 74 ASP H . . 5.000 3.801 3.786 3.828 . 0 0 "[ . 1 . 2 . 3]" 1
1067 1 73 PHE HB3 1 74 ASP H . . 5.500 4.267 4.256 4.293 . 0 0 "[ . 1 . 2 . 3]" 1
1068 1 73 PHE QD 1 88 ILE MD . . 5.900 2.116 1.903 2.899 . 0 0 "[ . 1 . 2 . 3]" 1
1069 1 73 PHE QD 1 88 ILE MG . . 8.200 2.773 2.168 3.179 . 0 0 "[ . 1 . 2 . 3]" 1
1070 1 73 PHE QE 1 88 ILE MD . . 6.500 3.711 3.354 4.183 . 0 0 "[ . 1 . 2 . 3]" 1
1071 1 73 PHE QE 1 88 ILE MG . . 8.200 2.399 1.962 2.793 . 0 0 "[ . 1 . 2 . 3]" 1
1072 1 74 ASP H 1 74 ASP HB2 . . 2.700 2.219 2.202 2.231 . 0 0 "[ . 1 . 2 . 3]" 1
1073 1 74 ASP HA 1 75 LEU H . . 2.900 2.264 2.256 2.270 . 0 0 "[ . 1 . 2 . 3]" 1
1074 1 74 ASP HA 1 85 HIS HA . . 5.000 3.203 2.963 3.381 . 0 0 "[ . 1 . 2 . 3]" 1
1075 1 74 ASP HB2 1 75 LEU H . . 5.500 4.553 4.530 4.575 . 0 0 "[ . 1 . 2 . 3]" 1
1076 1 74 ASP HB3 1 75 LEU H . . 3.800 3.785 3.717 3.835 0.035 30 0 "[ . 1 . 2 . 3]" 1
1077 1 75 LEU H 1 75 LEU HB2 . . 3.300 2.343 2.297 2.389 . 0 0 "[ . 1 . 2 . 3]" 1
1078 1 75 LEU H 1 75 LEU HG . . 3.500 3.507 3.416 3.604 0.104 16 0 "[ . 1 . 2 . 3]" 1
1079 1 75 LEU H 1 76 VAL H . . 5.500 4.497 4.475 4.518 . 0 0 "[ . 1 . 2 . 3]" 1
1080 1 75 LEU H 1 84 PHE H . . 3.800 3.825 3.780 3.869 0.069 17 0 "[ . 1 . 2 . 3]" 1
1081 1 75 LEU H 1 84 PHE O . . 2.400 2.382 2.299 2.436 0.036 1 0 "[ . 1 . 2 . 3]" 1
1082 1 75 LEU HA 1 76 VAL H . . 2.900 2.235 2.229 2.251 . 0 0 "[ . 1 . 2 . 3]" 1
1083 1 75 LEU HB2 1 76 VAL H . . 5.000 4.303 4.265 4.324 . 0 0 "[ . 1 . 2 . 3]" 1
1084 1 75 LEU HB3 1 76 VAL H . . 3.300 3.188 3.122 3.217 . 0 0 "[ . 1 . 2 . 3]" 1
1085 1 75 LEU MD2 1 84 PHE HB2 . . 6.500 5.374 5.325 5.417 . 0 0 "[ . 1 . 2 . 3]" 1
1086 1 75 LEU MD2 1 84 PHE QD . . 9.200 4.780 4.626 4.924 . 0 0 "[ . 1 . 2 . 3]" 1
1087 1 75 LEU N 1 84 PHE O . 2.700 3.200 3.180 3.077 3.230 0.030 22 0 "[ . 1 . 2 . 3]" 1
1088 1 75 LEU O 1 84 PHE H . . 2.400 1.772 1.731 1.801 0.069 8 0 "[ . 1 . 2 . 3]" 1
1089 1 75 LEU O 1 84 PHE N . 2.700 3.200 2.676 2.652 2.693 0.048 15 0 "[ . 1 . 2 . 3]" 1
1090 1 76 VAL H 1 76 VAL MG1 . . 3.700 2.575 2.462 2.684 . 0 0 "[ . 1 . 2 . 3]" 1
1091 1 76 VAL H 1 76 VAL MG2 . . 4.300 2.295 2.145 2.367 . 0 0 "[ . 1 . 2 . 3]" 1
1092 1 76 VAL H 1 77 SER H . . 5.500 4.475 4.458 4.487 . 0 0 "[ . 1 . 2 . 3]" 1
1093 1 76 VAL HA 1 76 VAL HB . . 2.900 2.341 2.318 2.376 . 0 0 "[ . 1 . 2 . 3]" 1
1094 1 76 VAL HA 1 77 SER H . . 2.900 2.473 2.463 2.483 . 0 0 "[ . 1 . 2 . 3]" 1
1095 1 76 VAL HA 1 83 HIS HA . . 2.900 2.188 2.134 2.238 . 0 0 "[ . 1 . 2 . 3]" 1
1096 1 76 VAL HA 1 83 HIS QB . . 5.800 4.060 4.008 4.124 . 0 0 "[ . 1 . 2 . 3]" 1
1097 1 76 VAL HA 1 84 PHE H . . 3.500 2.594 2.529 2.680 . 0 0 "[ . 1 . 2 . 3]" 1
1098 1 76 VAL HA 1 84 PHE QD . . 7.700 2.915 2.500 3.238 . 0 0 "[ . 1 . 2 . 3]" 1
1099 1 76 VAL HB 1 77 SER H . . 2.900 2.583 2.541 2.616 . 0 0 "[ . 1 . 2 . 3]" 1
1100 1 76 VAL HB 1 83 HIS HA . . 5.000 2.508 2.439 2.589 . 0 0 "[ . 1 . 2 . 3]" 1
1101 1 76 VAL MG1 1 77 SER H . . 4.800 3.984 3.918 4.023 . 0 0 "[ . 1 . 2 . 3]" 1
1102 1 76 VAL MG1 1 83 HIS HA . . 6.000 2.365 2.081 2.638 . 0 0 "[ . 1 . 2 . 3]" 1
1103 1 76 VAL MG1 1 83 HIS QB . . 7.800 2.582 2.321 2.858 . 0 0 "[ . 1 . 2 . 3]" 1
1104 1 76 VAL MG1 1 83 HIS HD2 . . 6.000 2.850 2.721 3.060 . 0 0 "[ . 1 . 2 . 3]" 1
1105 1 76 VAL MG1 1 83 HIS HE1 . . 4.300 3.074 2.871 3.229 . 0 0 "[ . 1 . 2 . 3]" 1
1106 1 76 VAL MG2 1 77 SER H . . 4.300 3.120 2.950 3.311 . 0 0 "[ . 1 . 2 . 3]" 1
1107 1 76 VAL MG2 1 81 SER HA . . 6.500 4.909 4.664 5.132 . 0 0 "[ . 1 . 2 . 3]" 1
1108 1 76 VAL MG2 1 83 HIS HA . . 4.800 4.083 4.008 4.102 . 0 0 "[ . 1 . 2 . 3]" 1
1109 1 76 VAL MG2 1 83 HIS QB . . 6.800 4.884 4.803 4.970 . 0 0 "[ . 1 . 2 . 3]" 1
1110 1 76 VAL MG2 1 83 HIS HD2 . . 4.300 3.465 3.397 3.517 . 0 0 "[ . 1 . 2 . 3]" 1
1111 1 76 VAL MG2 1 83 HIS HE1 . . 6.000 4.406 4.033 4.686 . 0 0 "[ . 1 . 2 . 3]" 1
1112 1 77 SER H 1 77 SER HB2 . . 3.300 2.581 2.451 2.753 . 0 0 "[ . 1 . 2 . 3]" 1
1113 1 77 SER H 1 77 SER QB . . 2.880 2.255 2.223 2.270 . 0 0 "[ . 1 . 2 . 3]" 1
1114 1 77 SER H 1 77 SER HB3 . . 3.300 2.511 2.346 2.644 . 0 0 "[ . 1 . 2 . 3]" 1
1115 1 77 SER H 1 82 ALA H . . 5.000 3.192 3.085 3.288 . 0 0 "[ . 1 . 2 . 3]" 1
1116 1 77 SER H 1 82 ALA O . . 2.400 1.886 1.827 1.965 . 0 0 "[ . 1 . 2 . 3]" 1
1117 1 77 SER H 1 83 HIS HA . . 3.300 3.336 3.311 3.355 0.055 24 0 "[ . 1 . 2 . 3]" 1
1118 1 77 SER H 1 84 PHE H . . 6.000 4.713 4.626 4.805 . 0 0 "[ . 1 . 2 . 3]" 1
1119 1 77 SER HA 1 78 PRO HD2 . . 3.300 2.303 2.289 2.310 . 0 0 "[ . 1 . 2 . 3]" 1
1120 1 77 SER HA 1 78 PRO HD3 . . 3.300 1.983 1.979 1.998 . 0 0 "[ . 1 . 2 . 3]" 1
1121 1 77 SER HA 1 78 PRO QG . . 5.800 3.838 3.837 3.840 . 0 0 "[ . 1 . 2 . 3]" 1
1122 1 77 SER QB 1 78 PRO QD . . 5.810 3.557 3.505 3.594 . 0 0 "[ . 1 . 2 . 3]" 1
1123 1 77 SER QB 1 82 ALA H . . 4.100 2.619 2.408 2.841 . 0 0 "[ . 1 . 2 . 3]" 1
1124 1 77 SER QB 1 84 PHE QD . . 8.500 4.084 3.932 4.266 . 0 0 "[ . 1 . 2 . 3]" 1
1125 1 77 SER QB 1 84 PHE QE . . 6.300 2.015 1.966 2.199 . 0 0 "[ . 1 . 2 . 3]" 1
1126 1 77 SER QB 1 84 PHE HZ . . 2.880 1.974 1.948 2.066 . 0 0 "[ . 1 . 2 . 3]" 1
1127 1 77 SER HB2 1 78 PRO HD2 . . 6.750 4.280 4.104 4.390 . 0 0 "[ . 1 . 2 . 3]" 1
1128 1 77 SER HB2 1 78 PRO HD3 . . 6.750 4.494 4.381 4.568 . 0 0 "[ . 1 . 2 . 3]" 1
1129 1 77 SER HB2 1 84 PHE HZ . . 3.300 1.989 1.961 2.090 . 0 0 "[ . 1 . 2 . 3]" 1
1130 1 77 SER HB3 1 78 PRO HD2 . . 6.750 4.476 4.366 4.585 . 0 0 "[ . 1 . 2 . 3]" 1
1131 1 77 SER HB3 1 78 PRO HD3 . . 6.750 4.789 4.739 4.835 . 0 0 "[ . 1 . 2 . 3]" 1
1132 1 77 SER HB3 1 84 PHE HZ . . 3.300 3.322 3.212 3.382 0.082 30 0 "[ . 1 . 2 . 3]" 1
1133 1 77 SER N 1 82 ALA O . 2.700 3.200 2.868 2.802 2.938 . 0 0 "[ . 1 . 2 . 3]" 1
1134 1 78 PRO HB2 1 79 THR MG . . 6.500 3.570 3.118 4.362 . 0 0 "[ . 1 . 2 . 3]" 1
1135 1 78 PRO HB3 1 79 THR MG . . 6.500 4.726 4.419 5.204 . 0 0 "[ . 1 . 2 . 3]" 1
1136 1 78 PRO QG 1 79 THR MG . . 5.100 2.934 2.633 3.285 . 0 0 "[ . 1 . 2 . 3]" 1
1137 1 79 THR HA 1 79 THR HB . . 2.900 2.474 2.360 2.589 . 0 0 "[ . 1 . 2 . 3]" 1
1138 1 80 ARG QD 1 81 SER QB . . 7.100 4.762 2.991 5.550 . 0 0 "[ . 1 . 2 . 3]" 1
1139 1 80 ARG O 1 82 ALA H . . 2.400 1.804 1.785 1.827 0.015 16 0 "[ . 1 . 2 . 3]" 1
1140 1 80 ARG O 1 82 ALA N . 2.700 3.200 2.677 2.658 2.701 0.042 5 0 "[ . 1 . 2 . 3]" 1
1141 1 81 SER HA 1 82 ALA H . . 2.900 2.643 2.597 2.664 . 0 0 "[ . 1 . 2 . 3]" 1
1142 1 81 SER HA 1 82 ALA HA . . 6.000 4.410 4.402 4.424 . 0 0 "[ . 1 . 2 . 3]" 1
1143 1 81 SER QB 1 82 ALA HA . . 5.800 4.404 4.257 4.657 . 0 0 "[ . 1 . 2 . 3]" 1
1144 1 82 ALA HA 1 83 HIS H . . 2.900 2.245 2.195 2.291 . 0 0 "[ . 1 . 2 . 3]" 1
1145 1 82 ALA HA 1 83 HIS HD2 . . 5.500 3.660 3.559 3.813 . 0 0 "[ . 1 . 2 . 3]" 1
1146 1 83 HIS HA 1 83 HIS HD2 . . 3.300 2.601 2.522 2.688 . 0 0 "[ . 1 . 2 . 3]" 1
1147 1 83 HIS HA 1 84 PHE H . . 2.900 2.317 2.289 2.327 . 0 0 "[ . 1 . 2 . 3]" 1
1148 1 84 PHE H 1 84 PHE HB2 . . 3.300 2.662 2.620 2.716 . 0 0 "[ . 1 . 2 . 3]" 1
1149 1 84 PHE H 1 85 HIS H . . 5.500 4.389 4.350 4.419 . 0 0 "[ . 1 . 2 . 3]" 1
1150 1 84 PHE HA 1 84 PHE HB3 . . 2.900 2.462 2.437 2.483 . 0 0 "[ . 1 . 2 . 3]" 1
1151 1 84 PHE HA 1 85 HIS H . . 2.900 2.227 2.208 2.248 . 0 0 "[ . 1 . 2 . 3]" 1
1152 1 84 PHE HB2 1 85 HIS H . . 5.500 4.063 3.975 4.165 . 0 0 "[ . 1 . 2 . 3]" 1
1153 1 84 PHE HB3 1 85 HIS H . . 5.000 3.325 3.217 3.426 . 0 0 "[ . 1 . 2 . 3]" 1
1154 1 84 PHE QD 1 85 HIS H . . 5.500 4.304 4.182 4.457 . 0 0 "[ . 1 . 2 . 3]" 1
1155 1 85 HIS H 1 85 HIS HB2 . . 3.300 3.202 3.152 3.325 0.025 15 0 "[ . 1 . 2 . 3]" 1
1156 1 85 HIS H 1 85 HIS HB3 . . 3.300 2.368 2.330 2.471 . 0 0 "[ . 1 . 2 . 3]" 1
1157 1 85 HIS HA 1 86 PRO HD2 . . 3.300 2.188 2.186 2.193 . 0 0 "[ . 1 . 2 . 3]" 1
1158 1 85 HIS HA 1 86 PRO HD3 . . 3.300 2.127 2.100 2.148 . 0 0 "[ . 1 . 2 . 3]" 1
1159 1 85 HIS HB2 1 85 HIS HD2 . . 3.300 3.276 3.238 3.341 0.041 16 0 "[ . 1 . 2 . 3]" 1
1160 1 85 HIS HB2 1 85 HIS HE1 . . 5.200 5.151 5.121 5.167 . 0 0 "[ . 1 . 2 . 3]" 1
1161 1 85 HIS HB3 1 85 HIS HD2 . . 2.900 2.892 2.845 2.919 0.019 23 0 "[ . 1 . 2 . 3]" 1
1162 1 85 HIS HE1 1 87 ASN HA . . 3.300 3.328 3.292 3.363 0.063 19 0 "[ . 1 . 2 . 3]" 1
1163 1 85 HIS HE1 1 88 ILE MD . . 6.000 3.212 2.837 3.679 . 0 0 "[ . 1 . 2 . 3]" 1
1164 1 86 PRO HA 1 87 ASN H . . 3.300 2.364 2.282 2.419 . 0 0 "[ . 1 . 2 . 3]" 1
1165 1 87 ASN HA 1 88 ILE H . . 2.900 2.259 2.252 2.284 . 0 0 "[ . 1 . 2 . 3]" 1
1166 1 88 ILE H 1 88 ILE HB . . 3.300 2.499 2.378 2.621 . 0 0 "[ . 1 . 2 . 3]" 1
1167 1 88 ILE H 1 89 GLN H . . 5.500 4.524 4.423 4.571 . 0 0 "[ . 1 . 2 . 3]" 1
1168 1 88 ILE HA 1 89 GLN H . . 2.900 2.196 2.178 2.217 . 0 0 "[ . 1 . 2 . 3]" 1
1169 1 88 ILE HB 1 89 GLN H . . 6.000 4.209 4.044 4.306 . 0 0 "[ . 1 . 2 . 3]" 1
1170 1 88 ILE MG 1 89 GLN H . . 4.300 2.605 2.361 2.757 . 0 0 "[ . 1 . 2 . 3]" 1
1171 1 89 GLN H 1 89 GLN QG . . 4.100 3.469 2.064 3.764 . 0 0 "[ . 1 . 2 . 3]" 1
1172 1 89 GLN HA 1 90 GLY H . . 2.900 2.244 2.242 2.247 . 0 0 "[ . 1 . 2 . 3]" 1
1173 1 90 GLY H 1 90 GLY HA3 . . 2.900 2.323 2.294 2.354 . 0 0 "[ . 1 . 2 . 3]" 1
1174 1 90 GLY H 1 91 ALA H . . 5.500 4.427 4.376 4.529 . 0 0 "[ . 1 . 2 . 3]" 1
1175 1 90 GLY HA2 1 91 ALA H . . 2.900 2.205 2.199 2.210 . 0 0 "[ . 1 . 2 . 3]" 1
1176 1 90 GLY HA3 1 91 ALA H . . 3.300 3.353 3.227 3.391 0.091 28 0 "[ . 1 . 2 . 3]" 1
1177 1 91 ALA HA 1 92 LYS H . . 3.300 2.189 2.187 2.190 . 0 0 "[ . 1 . 2 . 3]" 1
1178 1 92 LYS HA 1 93 SER H . . 3.300 3.184 2.781 3.439 0.139 22 0 "[ . 1 . 2 . 3]" 1
1179 1 95 SER H 1 96 ASP H . . 2.900 2.444 2.354 2.489 . 0 0 "[ . 1 . 2 . 3]" 1
1180 1 95 SER H 1 97 VAL H . . 5.500 4.385 4.056 4.518 . 0 0 "[ . 1 . 2 . 3]" 1
1181 1 95 SER HA 1 97 VAL H . . 5.000 3.248 3.189 3.391 . 0 0 "[ . 1 . 2 . 3]" 1
1182 1 95 SER HA 1 97 VAL HB . . 5.500 5.632 5.573 5.733 0.233 29 0 "[ . 1 . 2 . 3]" 1
1183 1 95 SER HA 1 97 VAL MG1 . . 6.000 4.205 4.051 4.465 . 0 0 "[ . 1 . 2 . 3]" 1
1184 1 95 SER HA 1 97 VAL MG2 . . 6.500 2.581 2.509 2.693 . 0 0 "[ . 1 . 2 . 3]" 1
1185 1 95 SER HA 1 98 LYS H . . 5.000 3.069 3.029 3.098 . 0 0 "[ . 1 . 2 . 3]" 1
1186 1 95 SER HA 1 98 LYS QB . . 4.100 3.304 3.144 3.382 . 0 0 "[ . 1 . 2 . 3]" 1
1187 1 95 SER HA 1 98 LYS QG . . 5.800 5.131 4.953 5.218 . 0 0 "[ . 1 . 2 . 3]" 1
1188 1 95 SER QB 1 97 VAL MG1 . . 7.300 5.389 5.309 5.437 . 0 0 "[ . 1 . 2 . 3]" 1
1189 1 95 SER QB 1 98 LYS QB . . 7.100 2.896 2.556 3.617 . 0 0 "[ . 1 . 2 . 3]" 1
1190 1 95 SER O 1 99 SER H . . 2.400 2.257 2.018 2.403 0.003 1 0 "[ . 1 . 2 . 3]" 1
1191 1 95 SER O 1 99 SER N . 2.700 3.200 3.163 2.956 3.278 0.078 1 0 "[ . 1 . 2 . 3]" 1
1192 1 96 ASP H 1 96 ASP HB3 . . 2.900 2.558 2.190 2.876 . 0 0 "[ . 1 . 2 . 3]" 1
1193 1 96 ASP H 1 97 VAL H . . 2.900 2.826 2.801 2.839 . 0 0 "[ . 1 . 2 . 3]" 1
1194 1 96 ASP H 1 98 LYS H . . 5.000 4.438 4.333 4.487 . 0 0 "[ . 1 . 2 . 3]" 1
1195 1 96 ASP HA 1 98 LYS H . . 5.500 4.350 4.114 4.447 . 0 0 "[ . 1 . 2 . 3]" 1
1196 1 96 ASP HA 1 99 SER H . . 5.500 3.304 3.185 3.392 . 0 0 "[ . 1 . 2 . 3]" 1
1197 1 96 ASP HA 1 99 SER QB . . 4.100 2.589 2.311 2.892 . 0 0 "[ . 1 . 2 . 3]" 1
1198 1 96 ASP HA 1 100 TYR H . . 5.500 4.347 3.854 4.712 . 0 0 "[ . 1 . 2 . 3]" 1
1199 1 96 ASP O 1 100 TYR H . . 2.400 2.154 1.829 2.411 0.011 16 0 "[ . 1 . 2 . 3]" 1
1200 1 96 ASP O 1 100 TYR N . 2.700 3.200 3.097 2.804 3.296 0.096 16 0 "[ . 1 . 2 . 3]" 1
1201 1 97 VAL H 1 97 VAL HB . . 3.500 3.533 3.529 3.536 0.036 19 0 "[ . 1 . 2 . 3]" 1
1202 1 97 VAL H 1 98 LYS H . . 2.900 2.588 2.551 2.606 . 0 0 "[ . 1 . 2 . 3]" 1
1203 1 97 VAL H 1 100 TYR H . . 5.500 4.784 4.616 4.925 . 0 0 "[ . 1 . 2 . 3]" 1
1204 1 97 VAL HA 1 100 TYR H . . 5.000 3.386 3.236 3.537 . 0 0 "[ . 1 . 2 . 3]" 1
1205 1 97 VAL HA 1 100 TYR QB . . 4.100 2.591 2.346 2.752 . 0 0 "[ . 1 . 2 . 3]" 1
1206 1 97 VAL HB 1 98 LYS H . . 5.500 3.826 3.786 3.928 . 0 0 "[ . 1 . 2 . 3]" 1
1207 1 97 VAL MG1 1 100 TYR QD . . 8.200 4.723 4.073 5.251 . 0 0 "[ . 1 . 2 . 3]" 1
1208 1 97 VAL MG1 1 100 TYR QE . . 8.700 6.009 5.431 6.357 . 0 0 "[ . 1 . 2 . 3]" 1
1209 1 97 VAL MG1 1 101 ILE MD . . 7.000 4.224 3.949 4.491 . 0 0 "[ . 1 . 2 . 3]" 1
1210 1 97 VAL MG1 1 113 PHE QE . . 6.500 3.902 3.036 4.281 . 0 0 "[ . 1 . 2 . 3]" 1
1211 1 97 VAL MG1 1 113 PHE HZ . . 4.300 3.444 2.616 3.599 . 0 0 "[ . 1 . 2 . 3]" 1
1212 1 97 VAL MG2 1 101 ILE MD . . 4.700 2.596 2.263 2.860 . 0 0 "[ . 1 . 2 . 3]" 1
1213 1 97 VAL MG2 1 101 ILE MG . . 7.500 4.999 4.907 5.078 . 0 0 "[ . 1 . 2 . 3]" 1
1214 1 97 VAL MG2 1 113 PHE QD . . 8.700 3.982 3.520 4.287 . 0 0 "[ . 1 . 2 . 3]" 1
1215 1 97 VAL MG2 1 113 PHE QE . . 8.200 2.581 1.928 2.782 . 0 0 "[ . 1 . 2 . 3]" 1
1216 1 97 VAL MG2 1 113 PHE HZ . . 6.500 1.833 1.752 1.965 . 0 0 "[ . 1 . 2 . 3]" 1
1217 1 97 VAL MG2 1 115 ILE MD . . 7.000 4.042 2.627 4.804 . 0 0 "[ . 1 . 2 . 3]" 1
1218 1 97 VAL O 1 101 ILE H . . 2.400 1.845 1.768 1.936 0.032 28 0 "[ . 1 . 2 . 3]" 1
1219 1 97 VAL O 1 101 ILE N . 2.700 3.200 2.735 2.658 2.814 0.042 28 0 "[ . 1 . 2 . 3]" 1
1220 1 98 LYS H 1 99 SER H . . 2.900 2.683 2.581 2.766 . 0 0 "[ . 1 . 2 . 3]" 1
1221 1 98 LYS H 1 100 TYR H . . 5.500 4.266 4.123 4.415 . 0 0 "[ . 1 . 2 . 3]" 1
1222 1 98 LYS H 1 101 ILE H . . 5.500 4.547 4.478 4.599 . 0 0 "[ . 1 . 2 . 3]" 1
1223 1 98 LYS HA 1 100 TYR H . . 5.500 4.478 4.311 4.697 . 0 0 "[ . 1 . 2 . 3]" 1
1224 1 98 LYS HA 1 101 ILE H . . 5.000 3.202 3.114 3.353 . 0 0 "[ . 1 . 2 . 3]" 1
1225 1 98 LYS HA 1 101 ILE HB . . 3.800 2.192 2.038 2.373 . 0 0 "[ . 1 . 2 . 3]" 1
1226 1 98 LYS HA 1 101 ILE MD . . 4.300 2.411 1.971 2.815 . 0 0 "[ . 1 . 2 . 3]" 1
1227 1 98 LYS HA 1 101 ILE QG . . 5.880 3.519 2.984 3.937 . 0 0 "[ . 1 . 2 . 3]" 1
1228 1 98 LYS HA 1 101 ILE MG . . 6.000 3.477 3.319 3.700 . 0 0 "[ . 1 . 2 . 3]" 1
1229 1 98 LYS HA 1 102 ASP H . . 5.500 4.146 3.938 4.423 . 0 0 "[ . 1 . 2 . 3]" 1
1230 1 98 LYS QG 1 115 ILE MD . . 5.100 2.416 1.752 3.396 . 0 0 "[ . 1 . 2 . 3]" 1
1231 1 98 LYS QG 1 115 ILE MG . . 7.300 4.297 2.025 5.253 . 0 0 "[ . 1 . 2 . 3]" 1
1232 1 98 LYS O 1 102 ASP H . . 2.400 2.005 1.810 2.274 . 0 0 "[ . 1 . 2 . 3]" 1
1233 1 98 LYS O 1 102 ASP N . 2.700 3.200 2.851 2.708 3.093 . 0 0 "[ . 1 . 2 . 3]" 1
1234 1 99 SER H 1 100 TYR H . . 2.900 2.783 2.730 2.847 . 0 0 "[ . 1 . 2 . 3]" 1
1235 1 99 SER H 1 101 ILE H . . 5.500 3.978 3.919 4.093 . 0 0 "[ . 1 . 2 . 3]" 1
1236 1 99 SER H 1 102 ASP H . . 5.500 4.736 4.606 4.940 . 0 0 "[ . 1 . 2 . 3]" 1
1237 1 99 SER HA 1 100 TYR QD . . 7.200 6.617 6.527 6.683 . 0 0 "[ . 1 . 2 . 3]" 1
1238 1 99 SER HA 1 102 ASP H . . 5.000 3.525 3.343 3.660 . 0 0 "[ . 1 . 2 . 3]" 1
1239 1 99 SER HA 1 102 ASP HB2 . . 5.000 3.148 2.579 4.427 . 0 0 "[ . 1 . 2 . 3]" 1
1240 1 99 SER HA 1 102 ASP HB3 . . 5.000 3.682 2.543 4.436 . 0 0 "[ . 1 . 2 . 3]" 1
1241 1 99 SER HA 1 103 LYS H . . 5.500 4.786 4.470 5.289 . 0 0 "[ . 1 . 2 . 3]" 1
1242 1 100 TYR H 1 101 ILE H . . 2.900 2.586 2.533 2.669 . 0 0 "[ . 1 . 2 . 3]" 1
1243 1 100 TYR H 1 102 ASP H . . 5.000 4.062 3.888 4.418 . 0 0 "[ . 1 . 2 . 3]" 1
1244 1 100 TYR HA 1 103 LYS H . . 5.000 3.150 2.945 3.285 . 0 0 "[ . 1 . 2 . 3]" 1
1245 1 100 TYR HA 1 103 LYS QB . . 3.500 2.508 1.954 3.017 . 0 0 "[ . 1 . 2 . 3]" 1
1246 1 100 TYR HA 1 103 LYS QD . . 4.100 2.812 1.843 3.722 . 0 0 "[ . 1 . 2 . 3]" 1
1247 1 100 TYR HA 1 103 LYS QE . . 6.300 4.464 1.961 5.616 . 0 0 "[ . 1 . 2 . 3]" 1
1248 1 100 TYR HA 1 103 LYS QG . . 4.100 3.251 1.915 3.824 . 0 0 "[ . 1 . 2 . 3]" 1
1249 1 100 TYR QD 1 101 ILE MD . . 8.200 4.057 3.604 4.595 . 0 0 "[ . 1 . 2 . 3]" 1
1250 1 100 TYR QD 1 101 ILE MG . . 8.200 4.919 4.371 5.502 . 0 0 "[ . 1 . 2 . 3]" 1
1251 1 100 TYR QD 1 103 LYS QB . . 6.300 3.635 2.713 4.699 . 0 0 "[ . 1 . 2 . 3]" 1
1252 1 100 TYR QD 1 103 LYS QD . . 6.300 3.557 1.965 4.530 . 0 0 "[ . 1 . 2 . 3]" 1
1253 1 100 TYR QD 1 103 LYS QE . . 8.500 5.100 1.971 6.346 . 0 0 "[ . 1 . 2 . 3]" 1
1254 1 100 TYR QE 1 101 ILE MG . . 8.700 5.592 5.013 6.072 . 0 0 "[ . 1 . 2 . 3]" 1
1255 1 100 TYR QE 1 103 LYS QD . . 8.000 5.090 3.883 5.911 . 0 0 "[ . 1 . 2 . 3]" 1
1256 1 100 TYR O 1 103 LYS H . . 2.400 2.261 1.942 2.468 0.068 25 0 "[ . 1 . 2 . 3]" 1
1257 1 100 TYR O 1 103 LYS N . 2.700 3.200 2.977 2.758 3.142 . 0 0 "[ . 1 . 2 . 3]" 1
1258 1 101 ILE H 1 101 ILE HB . . 2.900 2.216 2.147 2.307 . 0 0 "[ . 1 . 2 . 3]" 1
1259 1 101 ILE H 1 102 ASP H . . 2.900 2.597 2.512 2.738 . 0 0 "[ . 1 . 2 . 3]" 1
1260 1 101 ILE HA 1 103 LYS H . . 6.000 3.976 3.732 4.459 . 0 0 "[ . 1 . 2 . 3]" 1
1261 1 101 ILE HA 1 104 ASP H . . 6.000 5.987 4.708 6.153 0.153 30 0 "[ . 1 . 2 . 3]" 1
1262 1 101 ILE HB 1 102 ASP H . . 3.300 2.978 2.660 3.153 . 0 0 "[ . 1 . 2 . 3]" 1
1263 1 101 ILE MD 1 113 PHE HB3 . . 4.300 3.496 3.258 3.690 . 0 0 "[ . 1 . 2 . 3]" 1
1264 1 101 ILE MD 1 113 PHE QD . . 6.100 2.433 1.936 2.948 . 0 0 "[ . 1 . 2 . 3]" 1
1265 1 101 ILE MD 1 113 PHE QE . . 6.500 2.708 2.059 3.556 . 0 0 "[ . 1 . 2 . 3]" 1
1266 1 101 ILE MD 1 113 PHE HZ . . 6.500 3.640 2.636 4.597 . 0 0 "[ . 1 . 2 . 3]" 1
1267 1 101 ILE MG 1 102 ASP H . . 6.000 3.372 3.153 3.702 . 0 0 "[ . 1 . 2 . 3]" 1
1268 1 101 ILE MG 1 102 ASP HA . . 6.000 3.303 3.099 3.543 . 0 0 "[ . 1 . 2 . 3]" 1
1269 1 101 ILE MG 1 113 PHE HB3 . . 6.500 4.068 3.443 5.101 . 0 0 "[ . 1 . 2 . 3]" 1
1270 1 101 ILE MG 1 113 PHE QD . . 8.200 4.172 3.300 5.194 . 0 0 "[ . 1 . 2 . 3]" 1
1271 1 101 ILE MG 1 113 PHE QE . . 8.200 5.177 4.142 6.094 . 0 0 "[ . 1 . 2 . 3]" 1
1272 1 102 ASP H 1 103 LYS H . . 3.300 2.489 2.347 2.554 . 0 0 "[ . 1 . 2 . 3]" 1
1273 1 103 LYS H 1 104 ASP H . . 5.500 3.803 3.182 3.922 . 0 0 "[ . 1 . 2 . 3]" 1
1274 1 103 LYS HA 1 104 ASP H . . 2.900 2.488 2.412 2.886 . 0 0 "[ . 1 . 2 . 3]" 1
1275 1 104 ASP H 1 105 GLY H . . 5.500 4.536 4.370 4.624 . 0 0 "[ . 1 . 2 . 3]" 1
1276 1 104 ASP HA 1 105 GLY H . . 2.900 2.679 2.436 2.918 0.018 4 0 "[ . 1 . 2 . 3]" 1
1277 1 104 ASP HA 1 107 VAL MG1 . . 4.300 2.605 1.919 3.110 . 0 0 "[ . 1 . 2 . 3]" 1
1278 1 104 ASP HA 1 107 VAL MG2 . . 6.000 2.959 2.214 4.110 . 0 0 "[ . 1 . 2 . 3]" 1
1279 1 104 ASP QB 1 107 VAL MG1 . . 6.800 3.401 2.075 4.243 . 0 0 "[ . 1 . 2 . 3]" 1
1280 1 105 GLY H 1 105 GLY HA3 . . 2.900 2.940 2.897 2.961 0.061 27 0 "[ . 1 . 2 . 3]" 1
1281 1 105 GLY H 1 106 ASP H . . 5.500 3.007 2.443 3.237 . 0 0 "[ . 1 . 2 . 3]" 1
1282 1 105 GLY H 1 107 VAL MG1 . . 4.300 2.055 1.727 2.888 . 0 0 "[ . 1 . 2 . 3]" 1
1283 1 105 GLY H 1 107 VAL MG2 . . 6.000 3.165 2.234 4.509 . 0 0 "[ . 1 . 2 . 3]" 1
1284 1 105 GLY HA2 1 106 ASP H . . 3.300 2.329 2.258 2.539 . 0 0 "[ . 1 . 2 . 3]" 1
1285 1 106 ASP H 1 107 VAL H . . 5.500 2.705 2.536 3.127 . 0 0 "[ . 1 . 2 . 3]" 1
1286 1 106 ASP HA 1 107 VAL H . . 2.900 2.797 2.462 2.974 0.074 19 0 "[ . 1 . 2 . 3]" 1
1287 1 106 ASP QB 1 107 VAL H . . 4.180 3.867 3.802 3.944 . 0 0 "[ . 1 . 2 . 3]" 1
1288 1 107 VAL H 1 107 VAL MG1 . . 3.700 2.314 1.919 2.981 . 0 0 "[ . 1 . 2 . 3]" 1
1289 1 107 VAL H 1 108 LEU H . . 5.500 4.460 4.411 4.518 . 0 0 "[ . 1 . 2 . 3]" 1
1290 1 107 VAL HA 1 108 LEU H . . 2.900 2.482 2.401 2.524 . 0 0 "[ . 1 . 2 . 3]" 1
1291 1 107 VAL HB 1 108 LEU H . . 3.300 2.855 2.498 3.371 0.071 4 0 "[ . 1 . 2 . 3]" 1
1292 1 107 VAL MG1 1 108 LEU H . . 6.500 4.064 3.875 4.141 . 0 0 "[ . 1 . 2 . 3]" 1
1293 1 107 VAL MG2 1 108 LEU H . . 4.300 2.560 1.843 3.284 . 0 0 "[ . 1 . 2 . 3]" 1
1294 1 108 LEU HA 1 109 GLU H . . 2.900 2.244 2.176 2.322 . 0 0 "[ . 1 . 2 . 3]" 1
1295 1 109 GLU HA 1 110 TRP H . . 2.900 2.248 2.208 2.328 . 0 0 "[ . 1 . 2 . 3]" 1
1296 1 110 TRP H 1 111 GLY H . . 5.500 4.381 4.259 4.435 . 0 0 "[ . 1 . 2 . 3]" 1
1297 1 110 TRP HA 1 111 GLY H . . 2.900 2.350 2.242 2.392 . 0 0 "[ . 1 . 2 . 3]" 1
1298 1 110 TRP HD1 1 111 GLY H . . 5.000 4.371 4.015 4.706 . 0 0 "[ . 1 . 2 . 3]" 1
1299 1 111 GLY H 1 111 GLY HA3 . . 2.900 2.826 2.774 2.873 . 0 0 "[ . 1 . 2 . 3]" 1
1300 1 111 GLY HA2 1 112 THR H . . 2.900 2.636 2.546 2.778 . 0 0 "[ . 1 . 2 . 3]" 1
1301 1 111 GLY HA3 1 112 THR H . . 3.300 2.604 2.473 2.694 . 0 0 "[ . 1 . 2 . 3]" 1
1302 1 112 THR H 1 112 THR HB . . 3.300 2.466 2.449 2.498 . 0 0 "[ . 1 . 2 . 3]" 1
1303 1 112 THR HA 1 113 PHE H . . 2.900 2.160 2.149 2.207 . 0 0 "[ . 1 . 2 . 3]" 1
1304 1 112 THR HB 1 113 PHE H . . 5.000 4.492 4.345 4.563 . 0 0 "[ . 1 . 2 . 3]" 1
1305 1 112 THR MG 1 113 PHE H . . 4.300 2.812 2.521 3.069 . 0 0 "[ . 1 . 2 . 3]" 1
1306 1 112 THR MG 1 114 GLN HE21 . . 4.300 3.283 2.789 3.487 . 0 0 "[ . 1 . 2 . 3]" 1
1307 1 112 THR MG 1 114 GLN HE22 . . 4.300 3.035 2.187 3.445 . 0 0 "[ . 1 . 2 . 3]" 1
1308 1 113 PHE H 1 113 PHE HB2 . . 3.300 2.240 2.210 2.327 . 0 0 "[ . 1 . 2 . 3]" 1
1309 1 113 PHE H 1 113 PHE HB3 . . 3.300 2.533 2.438 2.569 . 0 0 "[ . 1 . 2 . 3]" 1
1310 1 113 PHE H 1 114 GLN H . . 5.500 4.638 4.633 4.640 . 0 0 "[ . 1 . 2 . 3]" 1
1311 1 113 PHE HA 1 114 GLN H . . 2.900 2.330 2.302 2.346 . 0 0 "[ . 1 . 2 . 3]" 1
1312 1 113 PHE HA 1 114 GLN HE21 . . 5.000 2.925 2.615 4.773 . 0 0 "[ . 1 . 2 . 3]" 1
1313 1 113 PHE HA 1 114 GLN HE22 . . 5.500 4.304 3.686 5.116 . 0 0 "[ . 1 . 2 . 3]" 1
1314 1 113 PHE HB2 1 114 GLN H . . 5.000 4.236 4.167 4.290 . 0 0 "[ . 1 . 2 . 3]" 1
1315 1 113 PHE HB3 1 114 GLN H . . 3.800 3.781 3.726 3.828 0.028 30 0 "[ . 1 . 2 . 3]" 1
1316 1 113 PHE QD 1 114 GLN H . . 7.200 2.692 2.335 3.421 . 0 0 "[ . 1 . 2 . 3]" 1
1317 1 113 PHE QD 1 115 ILE HA . . 7.700 3.912 2.981 4.995 . 0 0 "[ . 1 . 2 . 3]" 1
1318 1 113 PHE QD 1 115 ILE MD . . 6.500 2.759 1.945 3.649 . 0 0 "[ . 1 . 2 . 3]" 1
1319 1 113 PHE QD 1 115 ILE MG . . 8.700 5.007 4.329 5.517 . 0 0 "[ . 1 . 2 . 3]" 1
1320 1 113 PHE QE 1 114 GLN H . . 7.700 3.888 3.684 4.345 . 0 0 "[ . 1 . 2 . 3]" 1
1321 1 113 PHE QE 1 115 ILE HA . . 5.500 3.272 2.648 4.344 . 0 0 "[ . 1 . 2 . 3]" 1
1322 1 113 PHE QE 1 115 ILE MD . . 8.200 3.172 1.976 4.474 . 0 0 "[ . 1 . 2 . 3]" 1
1323 1 113 PHE QE 1 115 ILE MG . . 8.700 4.351 3.491 4.903 . 0 0 "[ . 1 . 2 . 3]" 1
1324 1 113 PHE HZ 1 114 GLN H . . 5.500 5.186 5.020 5.321 . 0 0 "[ . 1 . 2 . 3]" 1
1325 1 113 PHE HZ 1 115 ILE HA . . 5.500 5.295 4.815 5.558 0.058 7 0 "[ . 1 . 2 . 3]" 1
1326 1 114 GLN H 1 114 GLN QG . . 4.100 2.215 1.928 3.640 . 0 0 "[ . 1 . 2 . 3]" 1
1327 1 114 GLN H 1 115 ILE H . . 5.500 4.161 3.795 4.558 . 0 0 "[ . 1 . 2 . 3]" 1
1328 1 114 GLN HA 1 114 GLN HE21 . . 5.000 3.998 3.399 4.328 . 0 0 "[ . 1 . 2 . 3]" 1
1329 1 114 GLN HA 1 114 GLN HE22 . . 5.500 4.925 3.717 5.569 0.069 5 0 "[ . 1 . 2 . 3]" 1
1330 1 114 GLN HA 1 115 ILE H . . 2.900 2.267 2.202 2.432 . 0 0 "[ . 1 . 2 . 3]" 1
1331 1 115 ILE H 1 115 ILE HB . . 2.900 2.359 2.179 2.500 . 0 0 "[ . 1 . 2 . 3]" 1
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