NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
381612 |
1j3x   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1j3x
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 1289
_Distance_constraint_stats_list.Viol_count 1265
_Distance_constraint_stats_list.Viol_total 935.198
_Distance_constraint_stats_list.Viol_max 0.300
_Distance_constraint_stats_list.Viol_rms 0.0084
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0008
_Distance_constraint_stats_list.Viol_average_violations_only 0.0246
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 3 LYS 0.005 0.002 1 0 "[ . 1 . 2 . 3]"
1 4 GLY 0.022 0.013 29 0 "[ . 1 . 2 . 3]"
1 5 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 6 PRO 3.233 0.215 25 0 "[ . 1 . 2 . 3]"
1 7 ASN 3.645 0.215 25 0 "[ . 1 . 2 . 3]"
1 8 LYS 0.426 0.144 4 0 "[ . 1 . 2 . 3]"
1 9 PRO 0.034 0.009 26 0 "[ . 1 . 2 . 3]"
1 10 ARG 0.241 0.045 26 0 "[ . 1 . 2 . 3]"
1 11 GLY 0.009 0.005 26 0 "[ . 1 . 2 . 3]"
1 12 LYS 0.221 0.039 24 0 "[ . 1 . 2 . 3]"
1 13 MET 0.243 0.034 10 0 "[ . 1 . 2 . 3]"
1 14 SER 0.204 0.035 20 0 "[ . 1 . 2 . 3]"
1 15 SER 0.035 0.006 7 0 "[ . 1 . 2 . 3]"
1 16 TYR 0.068 0.013 20 0 "[ . 1 . 2 . 3]"
1 17 ALA 0.134 0.035 20 0 "[ . 1 . 2 . 3]"
1 18 PHE 0.019 0.007 7 0 "[ . 1 . 2 . 3]"
1 19 PHE 0.293 0.019 19 0 "[ . 1 . 2 . 3]"
1 20 VAL 0.695 0.029 28 0 "[ . 1 . 2 . 3]"
1 21 GLN 0.006 0.004 3 0 "[ . 1 . 2 . 3]"
1 22 THR 0.123 0.021 28 0 "[ . 1 . 2 . 3]"
1 23 SER 0.025 0.017 29 0 "[ . 1 . 2 . 3]"
1 24 ARG 0.247 0.027 14 0 "[ . 1 . 2 . 3]"
1 25 GLU 0.778 0.117 11 0 "[ . 1 . 2 . 3]"
1 26 GLU 0.136 0.021 28 0 "[ . 1 . 2 . 3]"
1 27 HIS 1.525 0.068 17 0 "[ . 1 . 2 . 3]"
1 28 LYS 0.410 0.038 12 0 "[ . 1 . 2 . 3]"
1 29 LYS 0.002 0.002 3 0 "[ . 1 . 2 . 3]"
1 30 LYS 2.642 0.181 21 0 "[ . 1 . 2 . 3]"
1 31 HIS 2.764 0.079 28 0 "[ . 1 . 2 . 3]"
1 32 PRO 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 33 ASP 0.043 0.009 17 0 "[ . 1 . 2 . 3]"
1 34 SER 0.038 0.009 17 0 "[ . 1 . 2 . 3]"
1 35 SER 1.659 0.124 28 0 "[ . 1 . 2 . 3]"
1 36 VAL 1.354 0.124 28 0 "[ . 1 . 2 . 3]"
1 37 ASN 0.065 0.028 30 0 "[ . 1 . 2 . 3]"
1 38 PHE 3.203 0.124 15 0 "[ . 1 . 2 . 3]"
1 39 ALA 5.900 0.231 24 0 "[ . 1 . 2 . 3]"
1 40 GLU 1.871 0.097 9 0 "[ . 1 . 2 . 3]"
1 41 PHE 7.108 0.231 24 0 "[ . 1 . 2 . 3]"
1 42 SER 5.040 0.300 24 0 "[ . 1 . 2 . 3]"
1 43 LYS 3.422 0.097 9 0 "[ . 1 . 2 . 3]"
1 44 LYS 0.261 0.058 23 0 "[ . 1 . 2 . 3]"
1 45 CYS 1.187 0.029 28 0 "[ . 1 . 2 . 3]"
1 46 SER 1.057 0.160 15 0 "[ . 1 . 2 . 3]"
1 47 GLU 0.142 0.018 27 0 "[ . 1 . 2 . 3]"
1 48 ARG 0.022 0.012 14 0 "[ . 1 . 2 . 3]"
1 49 TRP 0.104 0.011 15 0 "[ . 1 . 2 . 3]"
1 50 LYS 0.582 0.026 26 0 "[ . 1 . 2 . 3]"
1 51 THR 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 52 MET 0.251 0.034 13 0 "[ . 1 . 2 . 3]"
1 53 SER 0.013 0.003 9 0 "[ . 1 . 2 . 3]"
1 54 ALA 0.343 0.052 13 0 "[ . 1 . 2 . 3]"
1 55 LYS 0.643 0.031 25 0 "[ . 1 . 2 . 3]"
1 56 GLU 1.086 0.031 25 0 "[ . 1 . 2 . 3]"
1 57 LYS 0.475 0.052 13 0 "[ . 1 . 2 . 3]"
1 58 SER 0.417 0.013 25 0 "[ . 1 . 2 . 3]"
1 59 LYS 0.002 0.001 27 0 "[ . 1 . 2 . 3]"
1 60 PHE 0.017 0.006 7 0 "[ . 1 . 2 . 3]"
1 61 GLU 0.053 0.006 20 0 "[ . 1 . 2 . 3]"
1 62 ASP 0.029 0.004 28 0 "[ . 1 . 2 . 3]"
1 63 MET 0.031 0.007 23 0 "[ . 1 . 2 . 3]"
1 64 ALA 0.015 0.004 8 0 "[ . 1 . 2 . 3]"
1 65 LYS 0.015 0.004 1 0 "[ . 1 . 2 . 3]"
1 66 SER 0.002 0.001 29 0 "[ . 1 . 2 . 3]"
1 67 ASP 0.028 0.004 23 0 "[ . 1 . 2 . 3]"
1 68 LYS 0.081 0.012 29 0 "[ . 1 . 2 . 3]"
1 69 ALA 0.021 0.015 29 0 "[ . 1 . 2 . 3]"
1 70 ARG 0.086 0.021 11 0 "[ . 1 . 2 . 3]"
1 71 TYR 0.103 0.025 6 0 "[ . 1 . 2 . 3]"
1 72 ASP 0.048 0.011 29 0 "[ . 1 . 2 . 3]"
1 73 ARG 0.001 0.001 8 0 "[ . 1 . 2 . 3]"
1 74 GLU 0.469 0.049 23 0 "[ . 1 . 2 . 3]"
1 75 MET 0.053 0.009 23 0 "[ . 1 . 2 . 3]"
1 76 LYS 0.064 0.014 6 0 "[ . 1 . 2 . 3]"
1 77 ASN 0.000 0.000 . 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 3 LYS H 1 10 ARG HA 3.400 . 6.000 5.258 3.019 6.002 0.002 1 0 "[ . 1 . 2 . 3]" 1
2 1 3 LYS HB2 1 3 LYS HG3 2.700 . 3.600 2.545 2.289 3.027 . 0 0 "[ . 1 . 2 . 3]" 1
3 1 3 LYS HB3 1 3 LYS HG2 3.000 . 4.100 2.528 2.315 3.018 . 0 0 "[ . 1 . 2 . 3]" 1
4 1 3 LYS HB3 1 3 LYS HG3 2.900 . 3.900 2.897 2.553 3.034 . 0 0 "[ . 1 . 2 . 3]" 1
5 1 4 GLY H 1 5 ASP HA 2.800 . 6.000 5.239 4.465 5.710 . 0 0 "[ . 1 . 2 . 3]" 1
6 1 4 GLY H 1 10 ARG HA 4.000 . 6.000 5.149 3.055 6.013 0.013 29 0 "[ . 1 . 2 . 3]" 1
7 1 4 GLY QA 1 5 ASP H 3.000 . 5.100 2.379 2.152 2.817 . 0 0 "[ . 1 . 2 . 3]" 1
8 1 5 ASP HA 1 5 ASP HB3 2.800 . 3.800 2.695 2.462 3.030 . 0 0 "[ . 1 . 2 . 3]" 1
9 1 6 PRO HA 1 6 PRO HB3 2.400 . 3.100 2.328 2.323 2.351 . 0 0 "[ . 1 . 2 . 3]" 1
10 1 6 PRO HB2 1 6 PRO HD2 3.600 . 5.200 4.032 4.017 4.065 . 0 0 "[ . 1 . 2 . 3]" 1
11 1 6 PRO HB2 1 6 PRO HD3 3.600 . 5.200 3.938 3.903 3.953 . 0 0 "[ . 1 . 2 . 3]" 1
12 1 6 PRO HB2 1 7 ASN H 4.100 . 6.000 3.012 1.988 3.065 0.012 25 0 "[ . 1 . 2 . 3]" 1
13 1 6 PRO HB2 1 7 ASN HD21 4.500 . 6.000 2.735 2.690 2.894 . 0 0 "[ . 1 . 2 . 3]" 1
14 1 6 PRO HB2 1 7 ASN HD22 4.300 . 6.000 4.355 4.271 4.564 . 0 0 "[ . 1 . 2 . 3]" 1
15 1 6 PRO HB3 1 6 PRO HD2 3.600 . 5.200 3.879 3.851 3.891 . 0 0 "[ . 1 . 2 . 3]" 1
16 1 6 PRO HB3 1 6 PRO HD3 3.100 . 4.300 3.010 2.924 3.048 . 0 0 "[ . 1 . 2 . 3]" 1
17 1 6 PRO HB3 1 7 ASN H 4.600 . 6.000 3.915 3.249 3.958 . 0 0 "[ . 1 . 2 . 3]" 1
18 1 6 PRO HB3 1 7 ASN HD21 4.900 . 6.000 4.441 4.419 4.462 . 0 0 "[ . 1 . 2 . 3]" 1
19 1 6 PRO HB3 1 7 ASN HD22 5.200 . 6.000 6.019 6.011 6.049 0.049 25 0 "[ . 1 . 2 . 3]" 1
20 1 6 PRO HD2 1 6 PRO HG2 2.800 . 3.800 2.295 2.286 2.308 . 0 0 "[ . 1 . 2 . 3]" 1
21 1 6 PRO HD3 1 6 PRO HG3 2.700 . 3.600 2.299 2.292 2.317 . 0 0 "[ . 1 . 2 . 3]" 1
22 1 6 PRO HG3 1 7 ASN HB2 3.400 . 6.000 4.470 4.416 4.607 . 0 0 "[ . 1 . 2 . 3]" 1
23 1 6 PRO HG3 1 7 ASN HB3 2.600 . 6.000 6.088 6.062 6.215 0.215 25 0 "[ . 1 . 2 . 3]" 1
24 1 7 ASN H 1 7 ASN HB2 3.000 . 4.100 2.397 2.212 2.989 . 0 0 "[ . 1 . 2 . 3]" 1
25 1 7 ASN H 1 7 ASN HB3 3.300 . 4.600 3.389 3.294 3.990 . 0 0 "[ . 1 . 2 . 3]" 1
26 1 7 ASN H 1 8 LYS H 3.000 . 4.100 2.679 1.982 4.244 0.144 4 0 "[ . 1 . 2 . 3]" 1
27 1 7 ASN HA 1 7 ASN HB2 2.900 . 3.900 2.919 2.914 2.932 . 0 0 "[ . 1 . 2 . 3]" 1
28 1 7 ASN HA 1 7 ASN HB3 2.700 . 3.600 2.816 2.796 2.831 . 0 0 "[ . 1 . 2 . 3]" 1
29 1 7 ASN HB2 1 7 ASN HD21 3.500 . 5.000 2.479 2.398 2.527 . 0 0 "[ . 1 . 2 . 3]" 1
30 1 7 ASN HB3 1 7 ASN HD21 3.500 . 5.100 3.592 3.562 3.603 . 0 0 "[ . 1 . 2 . 3]" 1
31 1 7 ASN HB3 1 7 ASN HD22 4.100 . 6.000 4.110 4.097 4.116 . 0 0 "[ . 1 . 2 . 3]" 1
32 1 8 LYS HA 1 8 LYS HB2 2.600 . 3.400 2.908 2.480 3.032 . 0 0 "[ . 1 . 2 . 3]" 1
33 1 8 LYS HA 1 8 LYS HB3 2.900 . 3.900 2.714 2.466 3.033 . 0 0 "[ . 1 . 2 . 3]" 1
34 1 8 LYS HA 1 8 LYS QG 3.100 . 5.300 2.248 2.002 3.345 . 0 0 "[ . 1 . 2 . 3]" 1
35 1 8 LYS HA 1 9 PRO HD2 2.200 . 2.800 2.501 2.117 2.733 . 0 0 "[ . 1 . 2 . 3]" 1
36 1 8 LYS HA 1 9 PRO HD3 2.400 . 3.100 2.413 2.262 3.108 0.008 4 0 "[ . 1 . 2 . 3]" 1
37 1 8 LYS HB2 1 8 LYS QG 2.500 . 4.300 2.373 2.171 2.554 . 0 0 "[ . 1 . 2 . 3]" 1
38 1 8 LYS HB3 1 8 LYS QG 2.500 . 4.300 2.350 2.170 2.533 . 0 0 "[ . 1 . 2 . 3]" 1
39 1 9 PRO HA 1 9 PRO HB2 2.600 . 3.400 2.736 2.734 2.737 . 0 0 "[ . 1 . 2 . 3]" 1
40 1 9 PRO HA 1 9 PRO HB3 2.600 . 3.500 2.314 2.312 2.316 . 0 0 "[ . 1 . 2 . 3]" 1
41 1 9 PRO HA 1 9 PRO QG 3.400 . 5.800 3.514 3.513 3.516 . 0 0 "[ . 1 . 2 . 3]" 1
42 1 9 PRO HA 1 10 ARG H 2.200 . 2.800 2.544 2.213 2.763 . 0 0 "[ . 1 . 2 . 3]" 1
43 1 9 PRO HB2 1 10 ARG HB2 2.700 . 6.000 5.057 3.747 6.009 0.009 26 0 "[ . 1 . 2 . 3]" 1
44 1 9 PRO HB2 1 10 ARG HB3 2.600 . 6.000 5.030 4.048 6.006 0.006 20 0 "[ . 1 . 2 . 3]" 1
45 1 9 PRO HB2 1 74 GLU HG2 2.700 . 6.000 4.594 2.629 5.316 . 0 0 "[ . 1 . 2 . 3]" 1
46 1 9 PRO HB2 1 74 GLU HG3 2.400 . 6.000 5.610 3.985 6.001 0.001 17 0 "[ . 1 . 2 . 3]" 1
47 1 9 PRO HB3 1 9 PRO HD2 3.600 . 5.300 3.900 3.895 3.907 . 0 0 "[ . 1 . 2 . 3]" 1
48 1 9 PRO HB3 1 9 PRO HD3 3.000 . 4.200 3.080 3.060 3.111 . 0 0 "[ . 1 . 2 . 3]" 1
49 1 9 PRO HB3 1 10 ARG H 4.000 . 6.000 3.473 3.239 4.176 . 0 0 "[ . 1 . 2 . 3]" 1
50 1 9 PRO HB3 1 71 TYR QD 3.600 . 7.200 4.986 3.508 6.552 . 0 0 "[ . 1 . 2 . 3]" 1
51 1 9 PRO HB3 1 71 TYR QE 4.300 . 9.000 4.484 1.997 6.443 . 0 0 "[ . 1 . 2 . 3]" 1
52 1 9 PRO HB3 1 75 MET HG2 2.600 . 6.000 4.864 3.141 6.001 0.001 30 0 "[ . 1 . 2 . 3]" 1
53 1 9 PRO HB3 1 75 MET HG3 2.800 . 6.000 5.143 3.350 6.001 0.001 26 0 "[ . 1 . 2 . 3]" 1
54 1 9 PRO HD2 1 9 PRO QG 2.600 . 4.400 2.176 2.174 2.177 . 0 0 "[ . 1 . 2 . 3]" 1
55 1 9 PRO HD2 1 74 GLU QB 2.700 . 7.000 5.838 4.826 6.253 . 0 0 "[ . 1 . 2 . 3]" 1
56 1 9 PRO HD3 1 9 PRO QG 2.600 . 4.500 2.214 2.208 2.216 . 0 0 "[ . 1 . 2 . 3]" 1
57 1 9 PRO HD3 1 74 GLU QB 3.200 . 7.000 5.138 3.499 5.824 . 0 0 "[ . 1 . 2 . 3]" 1
58 1 9 PRO QG 1 71 TYR QE 3.700 . 9.400 2.937 2.041 4.174 . 0 0 "[ . 1 . 2 . 3]" 1
59 1 9 PRO QG 1 75 MET HA 2.800 . 7.000 4.544 2.183 5.974 . 0 0 "[ . 1 . 2 . 3]" 1
60 1 10 ARG H 1 10 ARG HA 2.800 . 3.800 2.959 2.841 2.995 . 0 0 "[ . 1 . 2 . 3]" 1
61 1 10 ARG H 1 10 ARG HB2 2.700 . 3.600 2.794 1.993 3.645 0.045 26 0 "[ . 1 . 2 . 3]" 1
62 1 10 ARG H 1 10 ARG HB3 2.500 . 3.300 2.782 2.439 3.322 0.022 2 0 "[ . 1 . 2 . 3]" 1
63 1 10 ARG H 1 10 ARG QD 4.600 . 7.000 4.272 2.157 5.046 . 0 0 "[ . 1 . 2 . 3]" 1
64 1 10 ARG H 1 10 ARG QG 3.100 . 5.300 3.394 1.936 4.263 . 0 0 "[ . 1 . 2 . 3]" 1
65 1 10 ARG HA 1 10 ARG HB2 2.400 . 3.100 2.611 2.480 2.945 . 0 0 "[ . 1 . 2 . 3]" 1
66 1 10 ARG HA 1 10 ARG HB3 2.600 . 3.400 2.841 2.455 3.033 . 0 0 "[ . 1 . 2 . 3]" 1
67 1 10 ARG HA 1 10 ARG QD 4.100 . 7.000 3.868 2.260 4.493 . 0 0 "[ . 1 . 2 . 3]" 1
68 1 10 ARG HA 1 10 ARG QG 2.800 . 4.800 2.516 2.078 3.357 . 0 0 "[ . 1 . 2 . 3]" 1
69 1 10 ARG HA 1 11 GLY H 2.300 . 3.000 2.657 2.213 3.005 0.005 26 0 "[ . 1 . 2 . 3]" 1
70 1 10 ARG HB2 1 10 ARG QD 3.200 . 5.500 2.578 2.109 3.305 . 0 0 "[ . 1 . 2 . 3]" 1
71 1 10 ARG HB2 1 11 GLY H 3.700 . 5.400 3.983 2.236 4.576 . 0 0 "[ . 1 . 2 . 3]" 1
72 1 10 ARG HB3 1 10 ARG QD 3.400 . 5.800 2.510 2.094 3.413 . 0 0 "[ . 1 . 2 . 3]" 1
73 1 10 ARG HB3 1 11 GLY H 3.600 . 5.200 3.701 2.023 4.601 . 0 0 "[ . 1 . 2 . 3]" 1
74 1 10 ARG QD 1 13 MET ME 2.500 . 8.500 4.330 2.206 5.961 . 0 0 "[ . 1 . 2 . 3]" 1
75 1 11 GLY H 1 11 GLY HA2 2.700 . 3.600 2.715 2.350 2.994 . 0 0 "[ . 1 . 2 . 3]" 1
76 1 11 GLY H 1 11 GLY HA3 2.800 . 3.800 2.617 2.347 2.977 . 0 0 "[ . 1 . 2 . 3]" 1
77 1 11 GLY H 1 12 LYS H 3.600 . 5.200 4.180 2.090 4.683 . 0 0 "[ . 1 . 2 . 3]" 1
78 1 11 GLY HA2 1 12 LYS H 2.400 . 3.100 2.665 2.217 3.071 . 0 0 "[ . 1 . 2 . 3]" 1
79 1 11 GLY HA2 1 71 TYR QD 3.800 . 7.600 4.260 2.857 6.305 . 0 0 "[ . 1 . 2 . 3]" 1
80 1 11 GLY HA2 1 71 TYR QE 3.300 . 7.700 3.394 2.021 6.568 . 0 0 "[ . 1 . 2 . 3]" 1
81 1 11 GLY HA3 1 12 LYS H 3.000 . 4.100 2.796 2.242 3.587 . 0 0 "[ . 1 . 2 . 3]" 1
82 1 11 GLY HA3 1 71 TYR QD 4.500 . 8.000 5.519 3.967 7.357 . 0 0 "[ . 1 . 2 . 3]" 1
83 1 11 GLY HA3 1 71 TYR QE 3.500 . 8.000 4.723 2.398 7.378 . 0 0 "[ . 1 . 2 . 3]" 1
84 1 12 LYS H 1 12 LYS HA 2.700 . 3.600 2.898 2.360 3.004 . 0 0 "[ . 1 . 2 . 3]" 1
85 1 12 LYS H 1 12 LYS HB2 3.000 . 4.100 2.457 2.017 3.495 . 0 0 "[ . 1 . 2 . 3]" 1
86 1 12 LYS H 1 12 LYS HB3 3.400 . 4.900 3.614 2.984 4.040 . 0 0 "[ . 1 . 2 . 3]" 1
87 1 12 LYS H 1 12 LYS HG2 3.600 . 5.200 3.974 3.065 4.771 . 0 0 "[ . 1 . 2 . 3]" 1
88 1 12 LYS H 1 12 LYS HG3 2.900 . 3.900 2.990 2.370 3.907 0.007 21 0 "[ . 1 . 2 . 3]" 1
89 1 12 LYS H 1 13 MET H 4.100 . 6.000 4.333 2.051 4.705 . 0 0 "[ . 1 . 2 . 3]" 1
90 1 12 LYS H 1 71 TYR QD 4.900 . 8.000 4.611 3.291 5.679 . 0 0 "[ . 1 . 2 . 3]" 1
91 1 12 LYS H 1 71 TYR QE 4.300 . 9.000 4.741 3.403 5.840 . 0 0 "[ . 1 . 2 . 3]" 1
92 1 12 LYS HA 1 12 LYS HB2 2.900 . 3.900 2.999 2.734 3.039 . 0 0 "[ . 1 . 2 . 3]" 1
93 1 12 LYS HA 1 12 LYS HB3 2.400 . 3.100 2.590 2.473 2.963 . 0 0 "[ . 1 . 2 . 3]" 1
94 1 12 LYS HA 1 12 LYS HG2 2.700 . 3.600 2.620 2.222 3.359 . 0 0 "[ . 1 . 2 . 3]" 1
95 1 12 LYS HB2 1 12 LYS QD 2.900 . 5.000 2.473 2.126 3.151 . 0 0 "[ . 1 . 2 . 3]" 1
96 1 12 LYS HB2 1 12 LYS HG2 2.800 . 3.800 2.984 2.764 3.036 . 0 0 "[ . 1 . 2 . 3]" 1
97 1 12 LYS HB2 1 12 LYS HG3 2.300 . 3.000 2.554 2.265 2.948 . 0 0 "[ . 1 . 2 . 3]" 1
98 1 12 LYS HB2 1 13 MET H 3.900 . 5.800 3.343 2.975 4.061 . 0 0 "[ . 1 . 2 . 3]" 1
99 1 12 LYS HB2 1 13 MET HA 3.000 . 6.000 4.869 4.507 5.619 . 0 0 "[ . 1 . 2 . 3]" 1
100 1 12 LYS HB2 1 68 LYS H 3.900 . 6.000 5.952 4.640 6.012 0.012 29 0 "[ . 1 . 2 . 3]" 1
101 1 12 LYS HB2 1 71 TYR QD 4.100 . 8.000 4.926 3.453 5.801 . 0 0 "[ . 1 . 2 . 3]" 1
102 1 12 LYS HB2 1 71 TYR QE 3.100 . 9.000 5.756 4.473 6.809 . 0 0 "[ . 1 . 2 . 3]" 1
103 1 12 LYS HB3 1 12 LYS QD 2.700 . 4.600 2.536 2.007 3.158 . 0 0 "[ . 1 . 2 . 3]" 1
104 1 12 LYS HB3 1 12 LYS HG2 2.300 . 2.900 2.435 2.266 2.939 0.039 24 0 "[ . 1 . 2 . 3]" 1
105 1 12 LYS HB3 1 12 LYS HG3 2.800 . 3.800 2.982 2.761 3.033 . 0 0 "[ . 1 . 2 . 3]" 1
106 1 12 LYS HB3 1 13 MET H 3.200 . 4.400 2.221 1.993 3.228 0.007 10 0 "[ . 1 . 2 . 3]" 1
107 1 12 LYS HB3 1 13 MET HA 3.400 . 4.800 4.517 4.087 4.818 0.018 30 0 "[ . 1 . 2 . 3]" 1
108 1 12 LYS HB3 1 68 LYS H 3.100 . 6.000 4.606 4.242 6.004 0.004 8 0 "[ . 1 . 2 . 3]" 1
109 1 12 LYS HB3 1 71 TYR QD 4.500 . 8.000 5.286 3.398 6.732 . 0 0 "[ . 1 . 2 . 3]" 1
110 1 12 LYS HB3 1 71 TYR QE 4.700 . 9.000 6.491 4.661 7.979 . 0 0 "[ . 1 . 2 . 3]" 1
111 1 12 LYS QD 1 68 LYS H 3.900 . 6.800 4.453 3.457 5.226 . 0 0 "[ . 1 . 2 . 3]" 1
112 1 12 LYS QD 1 68 LYS HB3 3.200 . 5.500 4.339 3.548 4.843 . 0 0 "[ . 1 . 2 . 3]" 1
113 1 12 LYS QD 1 71 TYR HB2 3.100 . 5.300 2.901 1.996 4.648 . 0 0 "[ . 1 . 2 . 3]" 1
114 1 12 LYS QD 1 71 TYR QD 3.000 . 7.100 3.429 2.064 4.666 . 0 0 "[ . 1 . 2 . 3]" 1
115 1 12 LYS QD 1 71 TYR QE 4.200 . 10.000 4.870 4.154 5.982 . 0 0 "[ . 1 . 2 . 3]" 1
116 1 12 LYS HE2 1 71 TYR QE 3.700 . 8.400 4.949 2.981 7.456 . 0 0 "[ . 1 . 2 . 3]" 1
117 1 12 LYS HE3 1 71 TYR QE 4.200 . 9.000 5.327 3.410 8.235 . 0 0 "[ . 1 . 2 . 3]" 1
118 1 12 LYS HG2 1 13 MET H 4.800 . 6.000 3.937 2.006 5.091 . 0 0 "[ . 1 . 2 . 3]" 1
119 1 12 LYS HG2 1 71 TYR QD 4.300 . 8.000 3.743 2.578 5.922 . 0 0 "[ . 1 . 2 . 3]" 1
120 1 12 LYS HG2 1 71 TYR QE 5.200 . 9.000 5.319 4.041 7.568 . 0 0 "[ . 1 . 2 . 3]" 1
121 1 12 LYS HG3 1 13 MET H 5.200 . 6.000 4.529 3.149 4.966 . 0 0 "[ . 1 . 2 . 3]" 1
122 1 12 LYS HG3 1 71 TYR QD 3.500 . 7.000 3.228 2.167 5.527 . 0 0 "[ . 1 . 2 . 3]" 1
123 1 12 LYS HG3 1 71 TYR QE 4.200 . 9.000 4.434 3.295 6.828 . 0 0 "[ . 1 . 2 . 3]" 1
124 1 13 MET H 1 13 MET HA 2.400 . 3.100 2.944 2.358 3.004 . 0 0 "[ . 1 . 2 . 3]" 1
125 1 13 MET H 1 13 MET HB2 2.800 . 3.800 2.600 2.151 3.831 0.031 26 0 "[ . 1 . 2 . 3]" 1
126 1 13 MET H 1 13 MET HB3 3.400 . 4.800 3.593 2.945 4.072 . 0 0 "[ . 1 . 2 . 3]" 1
127 1 13 MET H 1 13 MET HG2 4.100 . 6.000 4.177 2.247 5.053 . 0 0 "[ . 1 . 2 . 3]" 1
128 1 13 MET H 1 13 MET HG3 3.800 . 5.600 3.715 2.832 4.703 . 0 0 "[ . 1 . 2 . 3]" 1
129 1 13 MET H 1 14 SER H 4.000 . 6.000 4.069 1.974 4.658 0.026 8 0 "[ . 1 . 2 . 3]" 1
130 1 13 MET H 1 14 SER HB2 3.600 . 6.000 5.446 3.924 5.752 . 0 0 "[ . 1 . 2 . 3]" 1
131 1 13 MET H 1 14 SER HB3 3.400 . 6.000 5.945 5.041 6.034 0.034 10 0 "[ . 1 . 2 . 3]" 1
132 1 13 MET H 1 17 ALA MB 4.400 . 7.500 5.259 3.580 5.957 . 0 0 "[ . 1 . 2 . 3]" 1
133 1 13 MET H 1 18 PHE QE 4.900 . 9.000 4.546 2.852 5.697 . 0 0 "[ . 1 . 2 . 3]" 1
134 1 13 MET H 1 67 ASP QB 4.100 . 7.000 3.517 2.629 5.817 . 0 0 "[ . 1 . 2 . 3]" 1
135 1 13 MET HA 1 13 MET HB2 2.900 . 4.000 2.943 2.554 3.039 . 0 0 "[ . 1 . 2 . 3]" 1
136 1 13 MET HA 1 13 MET HB3 2.700 . 3.600 2.661 2.397 3.019 . 0 0 "[ . 1 . 2 . 3]" 1
137 1 13 MET HA 1 13 MET HG2 2.800 . 3.800 2.832 2.138 3.598 . 0 0 "[ . 1 . 2 . 3]" 1
138 1 13 MET HA 1 13 MET HG3 3.300 . 4.600 2.739 2.109 4.236 . 0 0 "[ . 1 . 2 . 3]" 1
139 1 13 MET HA 1 17 ALA MB 3.500 . 6.500 3.251 2.349 4.218 . 0 0 "[ . 1 . 2 . 3]" 1
140 1 13 MET HB2 1 14 SER H 3.500 . 5.000 3.733 1.998 4.664 0.002 7 0 "[ . 1 . 2 . 3]" 1
141 1 13 MET HB2 1 17 ALA MB 3.700 . 6.900 4.173 2.007 5.077 . 0 0 "[ . 1 . 2 . 3]" 1
142 1 13 MET HB2 1 18 PHE QE 2.500 . 6.300 2.843 1.999 4.546 . 0 0 "[ . 1 . 2 . 3]" 1
143 1 13 MET HB3 1 14 SER H 3.300 . 4.700 2.887 1.979 4.380 . 0 0 "[ . 1 . 2 . 3]" 1
144 1 13 MET HB3 1 17 ALA MB 2.700 . 5.100 3.044 1.906 4.153 . 0 0 "[ . 1 . 2 . 3]" 1
145 1 13 MET HB3 1 18 PHE QE 3.400 . 9.000 2.768 1.997 5.878 . 0 0 "[ . 1 . 2 . 3]" 1
146 1 13 MET ME 1 18 PHE QD 2.900 . 9.500 5.158 3.375 6.424 . 0 0 "[ . 1 . 2 . 3]" 1
147 1 13 MET HG2 1 14 SER H 4.800 . 6.000 4.143 1.993 5.918 . 0 0 "[ . 1 . 2 . 3]" 1
148 1 13 MET HG2 1 17 ALA MB 3.600 . 6.700 3.417 1.947 4.422 . 0 0 "[ . 1 . 2 . 3]" 1
149 1 13 MET HG2 1 18 PHE QD 4.000 . 8.000 4.927 2.676 7.068 . 0 0 "[ . 1 . 2 . 3]" 1
150 1 13 MET HG3 1 14 SER H 4.900 . 6.000 4.356 2.000 5.449 . 0 0 "[ . 1 . 2 . 3]" 1
151 1 13 MET HG3 1 17 ALA MB 3.800 . 7.100 3.862 2.039 5.304 . 0 0 "[ . 1 . 2 . 3]" 1
152 1 13 MET HG3 1 18 PHE QD 4.100 . 8.000 5.376 3.586 7.347 . 0 0 "[ . 1 . 2 . 3]" 1
153 1 14 SER H 1 14 SER HA 3.000 . 4.100 2.907 2.356 2.988 . 0 0 "[ . 1 . 2 . 3]" 1
154 1 14 SER H 1 14 SER HB3 2.200 . 6.000 2.597 2.162 3.802 . 0 0 "[ . 1 . 2 . 3]" 1
155 1 14 SER H 1 15 SER H 4.800 . 6.000 4.421 2.445 4.708 . 0 0 "[ . 1 . 2 . 3]" 1
156 1 14 SER H 1 16 TYR H 4.000 . 6.000 4.817 4.222 5.750 . 0 0 "[ . 1 . 2 . 3]" 1
157 1 14 SER H 1 17 ALA H 3.600 . 5.200 3.627 2.907 5.235 0.035 20 0 "[ . 1 . 2 . 3]" 1
158 1 14 SER H 1 17 ALA MB 2.600 . 4.900 2.471 1.879 4.011 . 0 0 "[ . 1 . 2 . 3]" 1
159 1 14 SER H 1 18 PHE QD 4.300 . 8.000 3.992 2.786 5.449 . 0 0 "[ . 1 . 2 . 3]" 1
160 1 14 SER HA 1 14 SER HB2 2.600 . 3.400 2.400 2.338 2.660 . 0 0 "[ . 1 . 2 . 3]" 1
161 1 14 SER HA 1 14 SER HB3 2.800 . 3.700 3.022 3.002 3.039 . 0 0 "[ . 1 . 2 . 3]" 1
162 1 14 SER HA 1 15 SER H 2.900 . 4.000 2.590 2.398 2.872 . 0 0 "[ . 1 . 2 . 3]" 1
163 1 14 SER HA 1 16 TYR H 4.200 . 6.000 4.368 4.243 4.577 . 0 0 "[ . 1 . 2 . 3]" 1
164 1 14 SER HA 1 17 ALA H 3.900 . 5.800 4.728 4.504 5.061 . 0 0 "[ . 1 . 2 . 3]" 1
165 1 14 SER HA 1 64 ALA MB 3.200 . 5.900 2.060 1.841 2.834 . 0 0 "[ . 1 . 2 . 3]" 1
166 1 14 SER HB2 1 16 TYR H 3.600 . 5.200 4.338 4.269 5.163 . 0 0 "[ . 1 . 2 . 3]" 1
167 1 14 SER HB2 1 17 ALA H 4.600 . 6.000 4.635 4.090 5.095 . 0 0 "[ . 1 . 2 . 3]" 1
168 1 14 SER HB3 1 16 TYR H 4.300 . 6.000 3.278 2.672 3.819 . 0 0 "[ . 1 . 2 . 3]" 1
169 1 14 SER HB3 1 17 ALA H 4.700 . 6.000 3.021 2.404 3.550 . 0 0 "[ . 1 . 2 . 3]" 1
170 1 15 SER H 1 15 SER HB2 4.100 . 6.000 3.551 3.512 3.925 . 0 0 "[ . 1 . 2 . 3]" 1
171 1 15 SER H 1 15 SER HB3 3.300 . 4.600 2.528 2.314 3.062 . 0 0 "[ . 1 . 2 . 3]" 1
172 1 15 SER H 1 17 ALA H 4.200 . 6.000 4.120 3.713 4.358 . 0 0 "[ . 1 . 2 . 3]" 1
173 1 15 SER H 1 64 ALA MB 3.700 . 6.900 2.680 1.982 3.355 . 0 0 "[ . 1 . 2 . 3]" 1
174 1 15 SER HA 1 16 TYR H 3.200 . 4.500 3.523 3.496 3.609 . 0 0 "[ . 1 . 2 . 3]" 1
175 1 15 SER HA 1 18 PHE HB3 4.100 . 6.000 4.208 3.967 4.583 . 0 0 "[ . 1 . 2 . 3]" 1
176 1 15 SER HA 1 60 PHE HA 3.100 . 4.300 4.134 3.748 4.306 0.006 7 0 "[ . 1 . 2 . 3]" 1
177 1 15 SER HA 1 64 ALA MB 2.900 . 5.500 2.691 2.286 3.320 . 0 0 "[ . 1 . 2 . 3]" 1
178 1 15 SER HB2 1 16 TYR H 3.400 . 4.900 3.854 3.686 3.975 . 0 0 "[ . 1 . 2 . 3]" 1
179 1 15 SER HB2 1 49 TRP HZ2 3.300 . 4.700 2.706 2.281 3.070 . 0 0 "[ . 1 . 2 . 3]" 1
180 1 15 SER HB2 1 61 GLU H 3.200 . 4.500 3.972 3.588 4.503 0.003 8 0 "[ . 1 . 2 . 3]" 1
181 1 15 SER HB2 1 64 ALA H 3.900 . 5.800 5.589 5.159 5.804 0.004 8 0 "[ . 1 . 2 . 3]" 1
182 1 15 SER HB3 1 16 TYR H 3.600 . 5.200 3.977 3.388 4.162 . 0 0 "[ . 1 . 2 . 3]" 1
183 1 15 SER HB3 1 49 TRP HZ2 3.200 . 4.500 3.859 3.387 4.397 . 0 0 "[ . 1 . 2 . 3]" 1
184 1 15 SER HB3 1 61 GLU H 3.200 . 4.500 4.081 3.619 4.499 . 0 0 "[ . 1 . 2 . 3]" 1
185 1 15 SER HB3 1 64 ALA H 3.500 . 6.000 4.518 4.099 5.327 . 0 0 "[ . 1 . 2 . 3]" 1
186 1 16 TYR H 1 16 TYR HA 3.000 . 4.200 2.900 2.850 2.965 . 0 0 "[ . 1 . 2 . 3]" 1
187 1 16 TYR H 1 16 TYR QB 2.400 . 4.100 2.141 2.043 2.242 . 0 0 "[ . 1 . 2 . 3]" 1
188 1 16 TYR H 1 16 TYR QD 4.500 . 8.000 4.064 3.869 4.174 . 0 0 "[ . 1 . 2 . 3]" 1
189 1 16 TYR H 1 17 ALA HA 5.000 . 6.000 5.235 5.021 5.374 . 0 0 "[ . 1 . 2 . 3]" 1
190 1 16 TYR H 1 19 PHE HB3 4.700 . 6.000 5.789 5.447 6.013 0.013 20 0 "[ . 1 . 2 . 3]" 1
191 1 16 TYR H 1 49 TRP HH2 4.500 . 6.000 5.550 4.844 5.865 . 0 0 "[ . 1 . 2 . 3]" 1
192 1 16 TYR H 1 49 TRP HZ2 3.900 . 5.800 4.433 3.825 5.083 . 0 0 "[ . 1 . 2 . 3]" 1
193 1 16 TYR HA 1 16 TYR QB 2.500 . 4.300 2.456 2.405 2.496 . 0 0 "[ . 1 . 2 . 3]" 1
194 1 16 TYR HA 1 16 TYR QD 2.800 . 5.800 2.856 2.543 3.053 . 0 0 "[ . 1 . 2 . 3]" 1
195 1 16 TYR HA 1 16 TYR QE 4.300 . 9.000 4.456 4.318 4.586 . 0 0 "[ . 1 . 2 . 3]" 1
196 1 16 TYR HA 1 19 PHE H 3.600 . 5.200 3.551 3.397 3.775 . 0 0 "[ . 1 . 2 . 3]" 1
197 1 16 TYR HA 1 49 TRP HZ3 3.900 . 5.800 5.717 5.163 5.806 0.006 14 0 "[ . 1 . 2 . 3]" 1
198 1 16 TYR QB 1 16 TYR QD 2.700 . 6.600 2.151 2.149 2.156 . 0 0 "[ . 1 . 2 . 3]" 1
199 1 16 TYR QB 1 16 TYR QE 4.000 . 10.000 3.964 3.961 3.967 . 0 0 "[ . 1 . 2 . 3]" 1
200 1 16 TYR QB 1 17 ALA H 2.900 . 4.900 2.726 2.467 2.847 . 0 0 "[ . 1 . 2 . 3]" 1
201 1 16 TYR QB 1 49 TRP HD1 4.200 . 7.000 5.199 4.695 5.993 . 0 0 "[ . 1 . 2 . 3]" 1
202 1 16 TYR QB 1 49 TRP HE1 3.500 . 6.000 3.960 3.169 4.887 . 0 0 "[ . 1 . 2 . 3]" 1
203 1 16 TYR QD 1 17 ALA H 4.200 . 8.000 4.064 3.597 4.329 . 0 0 "[ . 1 . 2 . 3]" 1
204 1 16 TYR QD 1 17 ALA HA 3.500 . 7.100 3.696 3.158 4.194 . 0 0 "[ . 1 . 2 . 3]" 1
205 1 16 TYR QD 1 19 PHE HB2 4.500 . 8.000 5.045 4.614 5.322 . 0 0 "[ . 1 . 2 . 3]" 1
206 1 16 TYR QD 1 19 PHE HB3 3.700 . 7.400 4.623 4.292 4.889 . 0 0 "[ . 1 . 2 . 3]" 1
207 1 16 TYR QD 1 19 PHE QE 4.300 . 11.000 6.577 5.854 7.031 . 0 0 "[ . 1 . 2 . 3]" 1
208 1 16 TYR QD 1 20 VAL MG1 4.800 . 9.500 5.522 4.980 5.929 . 0 0 "[ . 1 . 2 . 3]" 1
209 1 16 TYR QD 1 20 VAL MG2 4.100 . 9.500 3.591 3.076 4.021 . 0 0 "[ . 1 . 2 . 3]" 1
210 1 16 TYR QD 1 45 CYS HB2 4.700 . 8.000 6.404 5.786 7.034 . 0 0 "[ . 1 . 2 . 3]" 1
211 1 16 TYR QD 1 45 CYS HB3 4.200 . 8.000 6.640 5.681 7.384 . 0 0 "[ . 1 . 2 . 3]" 1
212 1 16 TYR QD 1 46 SER HA 4.000 . 8.000 5.377 4.419 5.841 . 0 0 "[ . 1 . 2 . 3]" 1
213 1 16 TYR QD 1 49 TRP HB2 3.100 . 6.300 5.136 4.367 5.887 . 0 0 "[ . 1 . 2 . 3]" 1
214 1 16 TYR QD 1 49 TRP HB3 4.000 . 8.000 4.864 4.036 5.436 . 0 0 "[ . 1 . 2 . 3]" 1
215 1 16 TYR QD 1 49 TRP HD1 3.400 . 6.800 3.173 2.591 3.923 . 0 0 "[ . 1 . 2 . 3]" 1
216 1 16 TYR QD 1 49 TRP HE1 4.200 . 8.000 2.717 2.004 3.397 . 0 0 "[ . 1 . 2 . 3]" 1
217 1 16 TYR QD 1 49 TRP HE3 3.800 . 7.600 6.049 5.257 6.695 . 0 0 "[ . 1 . 2 . 3]" 1
218 1 16 TYR QD 1 49 TRP HZ2 4.000 . 8.000 4.558 3.887 5.005 . 0 0 "[ . 1 . 2 . 3]" 1
219 1 16 TYR QE 1 20 VAL MG1 3.700 . 9.900 5.145 4.378 5.592 . 0 0 "[ . 1 . 2 . 3]" 1
220 1 16 TYR QE 1 20 VAL MG2 3.300 . 9.100 3.305 2.571 3.793 . 0 0 "[ . 1 . 2 . 3]" 1
221 1 16 TYR QE 1 45 CYS HB2 3.300 . 7.600 5.292 4.846 5.831 . 0 0 "[ . 1 . 2 . 3]" 1
222 1 16 TYR QE 1 45 CYS HB3 3.100 . 7.300 5.661 4.585 6.347 . 0 0 "[ . 1 . 2 . 3]" 1
223 1 16 TYR QE 1 46 SER H 4.100 . 9.000 5.183 4.229 5.795 . 0 0 "[ . 1 . 2 . 3]" 1
224 1 16 TYR QE 1 46 SER HA 2.300 . 6.000 3.487 2.413 4.196 . 0 0 "[ . 1 . 2 . 3]" 1
225 1 16 TYR QE 1 46 SER HB2 4.300 . 9.000 4.302 3.589 4.921 . 0 0 "[ . 1 . 2 . 3]" 1
226 1 16 TYR QE 1 46 SER HB3 3.800 . 8.600 3.981 3.081 5.369 . 0 0 "[ . 1 . 2 . 3]" 1
227 1 16 TYR QE 1 49 TRP H 4.600 . 9.000 5.915 5.149 6.536 . 0 0 "[ . 1 . 2 . 3]" 1
228 1 16 TYR QE 1 49 TRP HA 4.100 . 9.000 6.366 5.515 6.875 . 0 0 "[ . 1 . 2 . 3]" 1
229 1 16 TYR QE 1 49 TRP HB2 2.800 . 6.800 4.616 3.669 5.477 . 0 0 "[ . 1 . 2 . 3]" 1
230 1 16 TYR QE 1 49 TRP HB3 3.300 . 7.700 3.812 3.063 4.527 . 0 0 "[ . 1 . 2 . 3]" 1
231 1 16 TYR QE 1 49 TRP HD1 3.600 . 8.200 2.736 2.206 3.426 . 0 0 "[ . 1 . 2 . 3]" 1
232 1 17 ALA H 1 17 ALA HA 2.800 . 3.800 2.919 2.888 2.936 . 0 0 "[ . 1 . 2 . 3]" 1
233 1 17 ALA H 1 17 ALA MB 2.300 . 4.400 2.146 1.980 2.182 . 0 0 "[ . 1 . 2 . 3]" 1
234 1 17 ALA H 1 18 PHE H 2.800 . 3.700 2.487 2.421 2.663 . 0 0 "[ . 1 . 2 . 3]" 1
235 1 17 ALA H 1 18 PHE HB3 5.900 . 6.000 5.838 5.536 6.007 0.007 7 0 "[ . 1 . 2 . 3]" 1
236 1 17 ALA H 1 19 PHE H 2.900 . 4.000 3.929 3.860 4.012 0.012 20 0 "[ . 1 . 2 . 3]" 1
237 1 17 ALA HA 1 17 ALA MB 2.200 . 4.300 2.152 2.121 2.157 . 0 0 "[ . 1 . 2 . 3]" 1
238 1 17 ALA HA 1 18 PHE H 3.500 . 5.100 3.539 3.518 3.578 . 0 0 "[ . 1 . 2 . 3]" 1
239 1 17 ALA HA 1 20 VAL H 3.200 . 4.500 3.894 3.719 4.084 . 0 0 "[ . 1 . 2 . 3]" 1
240 1 17 ALA HA 1 20 VAL HB 2.700 . 3.600 3.576 3.332 3.607 0.007 26 0 "[ . 1 . 2 . 3]" 1
241 1 17 ALA HA 1 20 VAL MG1 3.400 . 6.300 4.857 4.621 4.934 . 0 0 "[ . 1 . 2 . 3]" 1
242 1 17 ALA HA 1 21 GLN H 3.900 . 5.800 4.427 4.144 4.886 . 0 0 "[ . 1 . 2 . 3]" 1
243 1 17 ALA MB 1 18 PHE H 2.800 . 5.300 2.594 2.321 2.792 . 0 0 "[ . 1 . 2 . 3]" 1
244 1 17 ALA MB 1 18 PHE HA 2.900 . 5.500 3.902 3.821 3.952 . 0 0 "[ . 1 . 2 . 3]" 1
245 1 17 ALA MB 1 18 PHE QD 2.600 . 6.900 3.522 2.460 4.463 . 0 0 "[ . 1 . 2 . 3]" 1
246 1 17 ALA MB 1 19 PHE H 4.600 . 7.500 4.419 4.258 4.482 . 0 0 "[ . 1 . 2 . 3]" 1
247 1 17 ALA MB 1 20 VAL H 4.500 . 7.500 5.019 4.853 5.194 . 0 0 "[ . 1 . 2 . 3]" 1
248 1 18 PHE H 1 18 PHE HA 3.000 . 4.100 2.912 2.862 2.938 . 0 0 "[ . 1 . 2 . 3]" 1
249 1 18 PHE H 1 18 PHE HB2 2.600 . 3.500 2.083 1.977 2.243 . 0 0 "[ . 1 . 2 . 3]" 1
250 1 18 PHE H 1 18 PHE HB3 4.000 . 6.000 3.431 3.192 3.515 . 0 0 "[ . 1 . 2 . 3]" 1
251 1 18 PHE H 1 18 PHE QD 2.900 . 5.900 2.906 2.237 3.639 . 0 0 "[ . 1 . 2 . 3]" 1
252 1 18 PHE H 1 19 PHE H 2.700 . 3.600 2.488 2.388 2.660 . 0 0 "[ . 1 . 2 . 3]" 1
253 1 18 PHE H 1 20 VAL H 3.700 . 5.400 4.500 4.168 4.852 . 0 0 "[ . 1 . 2 . 3]" 1
254 1 18 PHE H 1 64 ALA MB 3.600 . 7.500 4.631 4.107 5.130 . 0 0 "[ . 1 . 2 . 3]" 1
255 1 18 PHE HA 1 18 PHE HB3 3.000 . 4.100 2.679 2.570 2.876 . 0 0 "[ . 1 . 2 . 3]" 1
256 1 18 PHE HA 1 18 PHE QD 2.500 . 5.300 2.481 2.144 3.018 . 0 0 "[ . 1 . 2 . 3]" 1
257 1 18 PHE HA 1 19 PHE H 3.700 . 5.400 3.520 3.511 3.523 . 0 0 "[ . 1 . 2 . 3]" 1
258 1 18 PHE HA 1 20 VAL H 4.500 . 6.000 4.681 4.328 4.963 . 0 0 "[ . 1 . 2 . 3]" 1
259 1 18 PHE HA 1 21 GLN H 3.300 . 4.700 3.400 3.292 3.512 . 0 0 "[ . 1 . 2 . 3]" 1
260 1 18 PHE HA 1 21 GLN QB 2.600 . 4.500 2.300 2.084 2.592 . 0 0 "[ . 1 . 2 . 3]" 1
261 1 18 PHE HA 1 22 THR H 3.900 . 5.800 3.860 3.476 4.502 . 0 0 "[ . 1 . 2 . 3]" 1
262 1 18 PHE HB2 1 18 PHE QD 2.900 . 5.900 2.351 2.299 2.602 . 0 0 "[ . 1 . 2 . 3]" 1
263 1 18 PHE HB2 1 60 PHE QD 3.000 . 6.200 2.754 2.123 3.882 . 0 0 "[ . 1 . 2 . 3]" 1
264 1 18 PHE HB3 1 18 PHE QD 2.400 . 5.100 2.559 2.307 2.676 . 0 0 "[ . 1 . 2 . 3]" 1
265 1 18 PHE HB3 1 19 PHE H 3.900 . 5.800 3.509 3.152 3.769 . 0 0 "[ . 1 . 2 . 3]" 1
266 1 18 PHE HB3 1 60 PHE QE 4.100 . 9.000 3.194 2.140 4.021 . 0 0 "[ . 1 . 2 . 3]" 1
267 1 18 PHE QD 1 19 PHE H 5.000 . 8.000 4.569 4.340 4.659 . 0 0 "[ . 1 . 2 . 3]" 1
268 1 18 PHE QD 1 21 GLN QB 3.500 . 8.000 3.464 2.802 4.380 . 0 0 "[ . 1 . 2 . 3]" 1
269 1 18 PHE QD 1 60 PHE HA 3.300 . 6.700 4.743 4.013 5.180 . 0 0 "[ . 1 . 2 . 3]" 1
270 1 18 PHE QD 1 60 PHE QD 3.500 . 9.100 4.025 2.890 4.572 . 0 0 "[ . 1 . 2 . 3]" 1
271 1 18 PHE QD 1 63 MET HA 4.600 . 8.000 5.924 5.272 6.607 . 0 0 "[ . 1 . 2 . 3]" 1
272 1 18 PHE QD 1 63 MET HB3 2.900 . 5.900 3.942 2.850 4.855 . 0 0 "[ . 1 . 2 . 3]" 1
273 1 18 PHE QE 1 64 ALA H 3.700 . 8.400 4.630 3.846 5.664 . 0 0 "[ . 1 . 2 . 3]" 1
274 1 18 PHE QE 1 64 ALA HA 2.300 . 5.900 2.656 2.104 3.755 . 0 0 "[ . 1 . 2 . 3]" 1
275 1 18 PHE QE 1 64 ALA MB 2.600 . 8.000 3.464 2.237 4.371 . 0 0 "[ . 1 . 2 . 3]" 1
276 1 18 PHE QE 1 67 ASP QB 3.000 . 8.100 3.791 3.114 4.430 . 0 0 "[ . 1 . 2 . 3]" 1
277 1 18 PHE HZ 1 67 ASP H 4.900 . 6.000 5.765 5.176 6.004 0.004 20 0 "[ . 1 . 2 . 3]" 1
278 1 19 PHE H 1 19 PHE HA 3.000 . 4.100 2.865 2.855 2.888 . 0 0 "[ . 1 . 2 . 3]" 1
279 1 19 PHE H 1 19 PHE HB3 2.700 . 3.600 2.661 2.565 2.758 . 0 0 "[ . 1 . 2 . 3]" 1
280 1 19 PHE H 1 19 PHE QD 4.300 . 8.000 4.035 3.945 4.106 . 0 0 "[ . 1 . 2 . 3]" 1
281 1 19 PHE H 1 20 VAL HB 4.700 . 6.000 4.837 4.755 4.934 . 0 0 "[ . 1 . 2 . 3]" 1
282 1 19 PHE H 1 20 VAL MG1 5.100 . 7.500 5.945 5.871 6.010 . 0 0 "[ . 1 . 2 . 3]" 1
283 1 19 PHE H 1 20 VAL MG2 4.700 . 7.500 4.190 4.027 4.368 . 0 0 "[ . 1 . 2 . 3]" 1
284 1 19 PHE H 1 60 PHE QD 3.800 . 7.600 3.667 3.096 4.420 . 0 0 "[ . 1 . 2 . 3]" 1
285 1 19 PHE HA 1 19 PHE QD 2.600 . 5.400 2.386 2.085 2.922 . 0 0 "[ . 1 . 2 . 3]" 1
286 1 19 PHE HA 1 19 PHE QE 4.300 . 9.000 4.311 4.152 4.524 . 0 0 "[ . 1 . 2 . 3]" 1
287 1 19 PHE HA 1 21 GLN QB 3.300 . 7.000 5.067 4.816 5.343 . 0 0 "[ . 1 . 2 . 3]" 1
288 1 19 PHE HA 1 22 THR H 3.600 . 5.200 3.739 3.405 3.942 . 0 0 "[ . 1 . 2 . 3]" 1
289 1 19 PHE HA 1 60 PHE QD 3.300 . 6.700 3.565 3.042 4.407 . 0 0 "[ . 1 . 2 . 3]" 1
290 1 19 PHE HA 1 60 PHE QE 2.800 . 6.800 2.744 2.184 3.710 . 0 0 "[ . 1 . 2 . 3]" 1
291 1 19 PHE HA 1 60 PHE HZ 4.700 . 6.000 3.741 2.998 4.261 . 0 0 "[ . 1 . 2 . 3]" 1
292 1 19 PHE HB2 1 19 PHE QD 2.900 . 5.900 2.588 2.397 2.693 . 0 0 "[ . 1 . 2 . 3]" 1
293 1 19 PHE HB2 1 20 VAL H 4.700 . 6.000 3.548 3.423 3.727 . 0 0 "[ . 1 . 2 . 3]" 1
294 1 19 PHE HB2 1 49 TRP HE3 3.600 . 5.300 3.916 3.589 4.199 . 0 0 "[ . 1 . 2 . 3]" 1
295 1 19 PHE HB3 1 19 PHE QD 2.600 . 5.500 2.318 2.297 2.428 . 0 0 "[ . 1 . 2 . 3]" 1
296 1 19 PHE HB3 1 19 PHE QE 4.400 . 9.000 4.420 4.413 4.450 . 0 0 "[ . 1 . 2 . 3]" 1
297 1 19 PHE HB3 1 20 VAL H 3.000 . 4.100 2.248 2.021 2.563 . 0 0 "[ . 1 . 2 . 3]" 1
298 1 19 PHE HB3 1 20 VAL HA 3.600 . 5.200 4.149 4.066 4.257 . 0 0 "[ . 1 . 2 . 3]" 1
299 1 19 PHE HB3 1 22 THR HB 4.200 . 6.000 5.968 5.697 6.006 0.006 28 0 "[ . 1 . 2 . 3]" 1
300 1 19 PHE QD 1 20 VAL H 4.000 . 8.000 3.662 3.281 4.019 . 0 0 "[ . 1 . 2 . 3]" 1
301 1 19 PHE QD 1 60 PHE QE 3.200 . 9.500 3.190 2.895 3.603 . 0 0 "[ . 1 . 2 . 3]" 1
302 1 19 PHE QD 1 60 PHE HZ 3.200 . 6.500 3.545 3.004 4.135 . 0 0 "[ . 1 . 2 . 3]" 1
303 1 19 PHE QE 1 20 VAL MG1 4.600 . 10.500 6.329 5.925 6.771 . 0 0 "[ . 1 . 2 . 3]" 1
304 1 19 PHE QE 1 20 VAL MG2 4.400 . 10.500 4.649 4.266 5.083 . 0 0 "[ . 1 . 2 . 3]" 1
305 1 19 PHE QE 1 22 THR MG 4.200 . 10.500 5.916 5.215 6.315 . 0 0 "[ . 1 . 2 . 3]" 1
306 1 19 PHE QE 1 45 CYS HB2 3.900 . 8.800 3.164 2.366 3.631 . 0 0 "[ . 1 . 2 . 3]" 1
307 1 19 PHE QE 1 45 CYS HB3 2.800 . 6.800 2.766 1.988 3.958 . 0 0 "[ . 1 . 2 . 3]" 1
308 1 19 PHE QE 1 46 SER HA 3.900 . 8.800 4.686 4.375 5.747 . 0 0 "[ . 1 . 2 . 3]" 1
309 1 19 PHE QE 1 48 ARG QD 3.500 . 9.100 4.093 3.034 5.091 . 0 0 "[ . 1 . 2 . 3]" 1
310 1 19 PHE QE 1 48 ARG QG 3.700 . 9.400 4.200 3.428 4.888 . 0 0 "[ . 1 . 2 . 3]" 1
311 1 19 PHE QE 1 49 TRP HA 3.700 . 8.400 3.736 3.352 4.167 . 0 0 "[ . 1 . 2 . 3]" 1
312 1 19 PHE QE 1 49 TRP HB2 3.200 . 7.500 2.807 2.333 3.871 . 0 0 "[ . 1 . 2 . 3]" 1
313 1 19 PHE QE 1 49 TRP HE3 3.600 . 8.200 2.813 2.311 3.294 . 0 0 "[ . 1 . 2 . 3]" 1
314 1 19 PHE QE 1 52 MET HB2 3.200 . 9.000 5.078 3.976 5.463 . 0 0 "[ . 1 . 2 . 3]" 1
315 1 19 PHE QE 1 52 MET HB3 3.300 . 9.000 5.238 4.442 5.687 . 0 0 "[ . 1 . 2 . 3]" 1
316 1 19 PHE QE 1 60 PHE QE 4.200 . 12.000 3.442 2.561 4.361 . 0 0 "[ . 1 . 2 . 3]" 1
317 1 19 PHE QE 1 60 PHE HZ 3.900 . 8.800 4.152 3.192 5.392 . 0 0 "[ . 1 . 2 . 3]" 1
318 1 19 PHE HZ 1 45 CYS HB2 3.500 . 6.000 5.540 4.719 6.019 0.019 19 0 "[ . 1 . 2 . 3]" 1
319 1 19 PHE HZ 1 45 CYS HB3 4.200 . 6.000 5.102 4.402 6.004 0.004 30 0 "[ . 1 . 2 . 3]" 1
320 1 19 PHE HZ 1 48 ARG QD 2.800 . 4.800 3.172 2.084 4.351 . 0 0 "[ . 1 . 2 . 3]" 1
321 1 19 PHE HZ 1 48 ARG QG 3.000 . 5.100 3.291 2.296 4.316 . 0 0 "[ . 1 . 2 . 3]" 1
322 1 19 PHE HZ 1 49 TRP HE3 4.100 . 6.000 3.632 3.314 4.074 . 0 0 "[ . 1 . 2 . 3]" 1
323 1 19 PHE HZ 1 52 MET HB2 3.500 . 6.000 5.336 4.537 5.730 . 0 0 "[ . 1 . 2 . 3]" 1
324 1 19 PHE HZ 1 52 MET HB3 3.700 . 6.000 5.936 4.864 6.011 0.011 14 0 "[ . 1 . 2 . 3]" 1
325 1 20 VAL H 1 20 VAL HB 2.600 . 3.500 2.389 2.348 2.415 . 0 0 "[ . 1 . 2 . 3]" 1
326 1 20 VAL H 1 20 VAL MG1 3.500 . 6.500 3.716 3.714 3.719 . 0 0 "[ . 1 . 2 . 3]" 1
327 1 20 VAL H 1 20 VAL MG2 3.200 . 6.000 2.007 1.963 2.131 . 0 0 "[ . 1 . 2 . 3]" 1
328 1 20 VAL H 1 21 GLN H 2.900 . 3.900 2.578 2.425 2.684 . 0 0 "[ . 1 . 2 . 3]" 1
329 1 20 VAL H 1 21 GLN QB 4.600 . 7.000 4.250 4.085 4.369 . 0 0 "[ . 1 . 2 . 3]" 1
330 1 20 VAL H 1 22 THR H 3.800 . 5.600 4.269 3.957 4.662 . 0 0 "[ . 1 . 2 . 3]" 1
331 1 20 VAL HA 1 20 VAL HB 2.800 . 3.800 3.040 3.038 3.041 . 0 0 "[ . 1 . 2 . 3]" 1
332 1 20 VAL HA 1 20 VAL MG1 2.400 . 4.600 2.357 2.323 2.402 . 0 0 "[ . 1 . 2 . 3]" 1
333 1 20 VAL HA 1 20 VAL MG2 2.400 . 4.600 2.350 2.318 2.393 . 0 0 "[ . 1 . 2 . 3]" 1
334 1 20 VAL HA 1 21 GLN H 3.700 . 5.400 3.529 3.520 3.553 . 0 0 "[ . 1 . 2 . 3]" 1
335 1 20 VAL HA 1 22 THR H 4.500 . 6.000 4.470 4.066 5.013 . 0 0 "[ . 1 . 2 . 3]" 1
336 1 20 VAL HA 1 23 SER H 3.600 . 5.200 3.428 3.199 3.661 . 0 0 "[ . 1 . 2 . 3]" 1
337 1 20 VAL HA 1 23 SER HB3 4.100 . 6.000 4.003 3.624 4.419 . 0 0 "[ . 1 . 2 . 3]" 1
338 1 20 VAL HA 1 24 ARG H 4.400 . 6.000 3.827 3.294 4.725 . 0 0 "[ . 1 . 2 . 3]" 1
339 1 20 VAL HB 1 20 VAL MG1 2.200 . 4.300 2.146 2.127 2.152 . 0 0 "[ . 1 . 2 . 3]" 1
340 1 20 VAL HB 1 20 VAL MG2 2.300 . 4.400 2.151 2.150 2.152 . 0 0 "[ . 1 . 2 . 3]" 1
341 1 20 VAL HB 1 21 GLN H 2.700 . 3.600 2.763 2.626 2.825 . 0 0 "[ . 1 . 2 . 3]" 1
342 1 20 VAL HB 1 21 GLN HA 3.300 . 4.700 4.398 4.358 4.442 . 0 0 "[ . 1 . 2 . 3]" 1
343 1 20 VAL HB 1 45 CYS HB2 2.800 . 6.000 5.984 5.775 6.029 0.029 28 0 "[ . 1 . 2 . 3]" 1
344 1 20 VAL HB 1 45 CYS HB3 2.900 . 6.000 5.954 5.764 6.028 0.028 12 0 "[ . 1 . 2 . 3]" 1
345 1 20 VAL MG1 1 20 VAL MG2 2.300 . 5.900 2.068 2.042 2.079 . 0 0 "[ . 1 . 2 . 3]" 1
346 1 20 VAL MG1 1 21 GLN H 4.000 . 7.500 3.613 3.498 3.670 . 0 0 "[ . 1 . 2 . 3]" 1
347 1 20 VAL MG1 1 21 GLN QB 3.500 . 7.500 4.432 4.268 4.801 . 0 0 "[ . 1 . 2 . 3]" 1
348 1 20 VAL MG1 1 23 SER H 4.600 . 7.500 4.736 4.431 4.919 . 0 0 "[ . 1 . 2 . 3]" 1
349 1 20 VAL MG1 1 23 SER HB3 4.000 . 7.500 5.081 4.800 5.576 . 0 0 "[ . 1 . 2 . 3]" 1
350 1 20 VAL MG1 1 24 ARG H 4.700 . 7.500 4.081 3.744 4.773 . 0 0 "[ . 1 . 2 . 3]" 1
351 1 20 VAL MG1 1 24 ARG HB2 3.500 . 6.500 3.174 2.623 3.868 . 0 0 "[ . 1 . 2 . 3]" 1
352 1 20 VAL MG1 1 24 ARG HB3 3.800 . 7.100 4.319 3.583 5.050 . 0 0 "[ . 1 . 2 . 3]" 1
353 1 20 VAL MG1 1 38 PHE QD 4.000 . 9.500 3.306 2.825 3.958 . 0 0 "[ . 1 . 2 . 3]" 1
354 1 20 VAL MG1 1 38 PHE HZ 3.200 . 7.500 6.232 6.186 6.272 . 0 0 "[ . 1 . 2 . 3]" 1
355 1 20 VAL MG1 1 41 PHE QD 4.000 . 9.500 2.188 1.968 2.570 . 0 0 "[ . 1 . 2 . 3]" 1
356 1 20 VAL MG1 1 41 PHE QE 3.900 . 10.300 3.058 2.493 3.385 . 0 0 "[ . 1 . 2 . 3]" 1
357 1 20 VAL MG1 1 41 PHE HZ 5.400 . 7.500 5.190 4.701 5.463 . 0 0 "[ . 1 . 2 . 3]" 1
358 1 20 VAL MG1 1 42 SER HB2 3.000 . 7.500 4.421 3.463 5.732 . 0 0 "[ . 1 . 2 . 3]" 1
359 1 20 VAL MG1 1 42 SER HB3 2.800 . 7.500 3.752 2.757 5.197 . 0 0 "[ . 1 . 2 . 3]" 1
360 1 20 VAL MG1 1 45 CYS HB2 3.300 . 6.200 4.616 4.106 5.056 . 0 0 "[ . 1 . 2 . 3]" 1
361 1 20 VAL MG1 1 45 CYS HB3 3.600 . 6.700 4.592 4.170 5.016 . 0 0 "[ . 1 . 2 . 3]" 1
362 1 20 VAL MG2 1 21 GLN H 4.500 . 7.500 3.871 3.832 3.898 . 0 0 "[ . 1 . 2 . 3]" 1
363 1 20 VAL MG2 1 21 GLN QB 3.900 . 8.300 5.103 5.024 5.308 . 0 0 "[ . 1 . 2 . 3]" 1
364 1 20 VAL MG2 1 23 SER H 5.000 . 7.500 5.108 4.989 5.294 . 0 0 "[ . 1 . 2 . 3]" 1
365 1 20 VAL MG2 1 23 SER HB3 4.100 . 7.500 5.293 4.934 5.705 . 0 0 "[ . 1 . 2 . 3]" 1
366 1 20 VAL MG2 1 24 ARG H 5.100 . 7.500 5.497 5.071 6.240 . 0 0 "[ . 1 . 2 . 3]" 1
367 1 20 VAL MG2 1 24 ARG HB2 3.700 . 7.500 5.373 4.746 5.917 . 0 0 "[ . 1 . 2 . 3]" 1
368 1 20 VAL MG2 1 41 PHE QD 4.600 . 9.500 3.635 2.426 4.088 . 0 0 "[ . 1 . 2 . 3]" 1
369 1 20 VAL MG2 1 41 PHE QE 4.400 . 10.500 4.038 3.279 4.406 . 0 0 "[ . 1 . 2 . 3]" 1
370 1 20 VAL MG2 1 41 PHE HZ 5.600 . 7.500 5.854 5.423 6.076 . 0 0 "[ . 1 . 2 . 3]" 1
371 1 20 VAL MG2 1 42 SER HB2 3.000 . 7.500 3.767 2.930 4.824 . 0 0 "[ . 1 . 2 . 3]" 1
372 1 20 VAL MG2 1 42 SER HB3 3.200 . 6.000 3.917 3.033 4.880 . 0 0 "[ . 1 . 2 . 3]" 1
373 1 20 VAL MG2 1 45 CYS HB2 3.200 . 5.900 2.975 2.864 3.271 . 0 0 "[ . 1 . 2 . 3]" 1
374 1 20 VAL MG2 1 45 CYS HB3 2.900 . 5.500 3.038 2.902 3.209 . 0 0 "[ . 1 . 2 . 3]" 1
375 1 21 GLN H 1 21 GLN HA 2.800 . 3.800 2.896 2.867 2.924 . 0 0 "[ . 1 . 2 . 3]" 1
376 1 21 GLN H 1 21 GLN QB 2.400 . 4.100 2.128 2.034 2.195 . 0 0 "[ . 1 . 2 . 3]" 1
377 1 21 GLN H 1 21 GLN QG 4.100 . 7.000 3.667 2.559 4.022 . 0 0 "[ . 1 . 2 . 3]" 1
378 1 21 GLN H 1 22 THR H 3.000 . 4.100 2.617 2.453 2.846 . 0 0 "[ . 1 . 2 . 3]" 1
379 1 21 GLN H 1 23 SER H 3.400 . 4.800 3.866 3.753 4.028 . 0 0 "[ . 1 . 2 . 3]" 1
380 1 21 GLN HA 1 21 GLN QB 2.400 . 4.100 2.460 2.414 2.511 . 0 0 "[ . 1 . 2 . 3]" 1
381 1 21 GLN HA 1 21 GLN QG 2.600 . 4.500 2.297 2.139 2.737 . 0 0 "[ . 1 . 2 . 3]" 1
382 1 21 GLN HA 1 22 THR H 3.600 . 5.200 3.556 3.520 3.589 . 0 0 "[ . 1 . 2 . 3]" 1
383 1 21 GLN QB 1 21 GLN HE22 4.800 . 7.000 4.001 3.384 4.245 . 0 0 "[ . 1 . 2 . 3]" 1
384 1 21 GLN QB 1 22 THR H 2.700 . 4.600 2.506 2.079 2.819 . 0 0 "[ . 1 . 2 . 3]" 1
385 1 21 GLN QB 1 24 ARG H 4.900 . 7.000 5.015 4.747 5.291 . 0 0 "[ . 1 . 2 . 3]" 1
386 1 21 GLN HE21 1 21 GLN QG 2.900 . 4.900 2.269 2.214 2.598 . 0 0 "[ . 1 . 2 . 3]" 1
387 1 21 GLN HE21 1 25 GLU HG2 4.100 . 6.000 4.825 3.723 6.004 0.004 3 0 "[ . 1 . 2 . 3]" 1
388 1 21 GLN HE21 1 25 GLU HG3 3.800 . 5.600 3.864 2.415 5.333 . 0 0 "[ . 1 . 2 . 3]" 1
389 1 21 GLN HE22 1 21 GLN QG 3.600 . 6.300 3.317 3.284 3.435 . 0 0 "[ . 1 . 2 . 3]" 1
390 1 21 GLN HE22 1 25 GLU HG2 4.000 . 6.000 4.805 3.543 6.002 0.002 25 0 "[ . 1 . 2 . 3]" 1
391 1 21 GLN QG 1 22 THR H 4.200 . 7.000 4.242 3.618 4.458 . 0 0 "[ . 1 . 2 . 3]" 1
392 1 22 THR H 1 22 THR HA 3.000 . 4.100 2.926 2.863 2.977 . 0 0 "[ . 1 . 2 . 3]" 1
393 1 22 THR H 1 22 THR HB 2.800 . 3.800 2.481 2.429 2.565 . 0 0 "[ . 1 . 2 . 3]" 1
394 1 22 THR H 1 22 THR MG 3.800 . 7.100 3.727 3.702 3.765 . 0 0 "[ . 1 . 2 . 3]" 1
395 1 22 THR H 1 23 SER H 2.700 . 3.600 2.425 2.190 2.660 . 0 0 "[ . 1 . 2 . 3]" 1
396 1 22 THR H 1 24 ARG H 4.400 . 6.000 3.933 3.779 4.125 . 0 0 "[ . 1 . 2 . 3]" 1
397 1 22 THR H 1 60 PHE QE 4.800 . 9.000 4.073 3.592 5.111 . 0 0 "[ . 1 . 2 . 3]" 1
398 1 22 THR HA 1 22 THR HB 2.800 . 3.800 3.036 3.032 3.039 . 0 0 "[ . 1 . 2 . 3]" 1
399 1 22 THR HA 1 22 THR MG 2.700 . 5.100 2.306 2.277 2.383 . 0 0 "[ . 1 . 2 . 3]" 1
400 1 22 THR HA 1 23 SER H 3.200 . 4.500 3.521 3.516 3.535 . 0 0 "[ . 1 . 2 . 3]" 1
401 1 22 THR HA 1 25 GLU H 3.200 . 4.500 3.743 3.504 4.078 . 0 0 "[ . 1 . 2 . 3]" 1
402 1 22 THR HA 1 26 GLU HB3 2.600 . 6.000 5.996 5.834 6.021 0.021 28 0 "[ . 1 . 2 . 3]" 1
403 1 22 THR HA 1 60 PHE QE 3.900 . 8.800 5.199 4.731 5.992 . 0 0 "[ . 1 . 2 . 3]" 1
404 1 22 THR HB 1 22 THR MG 2.300 . 4.400 2.146 2.144 2.147 . 0 0 "[ . 1 . 2 . 3]" 1
405 1 22 THR HB 1 60 PHE QD 3.700 . 7.400 4.937 4.424 5.639 . 0 0 "[ . 1 . 2 . 3]" 1
406 1 22 THR HB 1 60 PHE QE 2.800 . 6.800 2.765 2.127 3.733 . 0 0 "[ . 1 . 2 . 3]" 1
407 1 22 THR HB 1 60 PHE HZ 3.600 . 5.200 3.388 2.338 4.593 . 0 0 "[ . 1 . 2 . 3]" 1
408 1 22 THR MG 1 23 SER H 3.600 . 6.700 3.758 3.650 3.810 . 0 0 "[ . 1 . 2 . 3]" 1
409 1 22 THR MG 1 25 GLU H 4.300 . 7.500 4.983 4.746 5.252 . 0 0 "[ . 1 . 2 . 3]" 1
410 1 22 THR MG 1 26 GLU H 4.000 . 7.500 4.605 4.262 5.074 . 0 0 "[ . 1 . 2 . 3]" 1
411 1 22 THR MG 1 60 PHE QD 3.500 . 9.500 4.974 4.366 5.434 . 0 0 "[ . 1 . 2 . 3]" 1
412 1 22 THR MG 1 60 PHE QE 2.800 . 8.200 3.133 2.275 3.566 . 0 0 "[ . 1 . 2 . 3]" 1
413 1 22 THR MG 1 60 PHE HZ 2.900 . 5.400 3.029 2.338 4.127 . 0 0 "[ . 1 . 2 . 3]" 1
414 1 23 SER H 1 23 SER HA 2.600 . 3.400 2.928 2.898 2.958 . 0 0 "[ . 1 . 2 . 3]" 1
415 1 23 SER H 1 23 SER HB2 2.500 . 3.300 2.351 2.229 2.537 . 0 0 "[ . 1 . 2 . 3]" 1
416 1 23 SER H 1 23 SER HB3 3.600 . 5.300 3.545 3.520 3.583 . 0 0 "[ . 1 . 2 . 3]" 1
417 1 23 SER H 1 24 ARG HB2 4.700 . 6.000 4.470 4.086 4.673 . 0 0 "[ . 1 . 2 . 3]" 1
418 1 23 SER H 1 24 ARG HB3 5.500 . 6.000 4.891 4.522 5.875 . 0 0 "[ . 1 . 2 . 3]" 1
419 1 23 SER H 1 41 PHE QE 4.800 . 9.000 3.990 3.685 4.273 . 0 0 "[ . 1 . 2 . 3]" 1
420 1 23 SER H 1 41 PHE HZ 5.400 . 6.000 5.058 4.484 5.461 . 0 0 "[ . 1 . 2 . 3]" 1
421 1 23 SER HA 1 23 SER HB2 3.000 . 4.100 3.032 3.026 3.037 . 0 0 "[ . 1 . 2 . 3]" 1
422 1 23 SER HA 1 23 SER HB3 2.500 . 3.300 2.498 2.409 2.563 . 0 0 "[ . 1 . 2 . 3]" 1
423 1 23 SER HA 1 24 ARG H 3.700 . 5.400 3.514 3.318 3.549 . 0 0 "[ . 1 . 2 . 3]" 1
424 1 23 SER HA 1 26 GLU H 3.300 . 4.600 3.650 3.363 3.887 . 0 0 "[ . 1 . 2 . 3]" 1
425 1 23 SER HA 1 26 GLU HB2 3.200 . 4.500 3.877 3.262 4.517 0.017 29 0 "[ . 1 . 2 . 3]" 1
426 1 23 SER HA 1 26 GLU HB3 3.800 . 5.700 3.043 2.594 3.847 . 0 0 "[ . 1 . 2 . 3]" 1
427 1 23 SER HB2 1 24 ARG H 2.800 . 3.800 2.841 2.686 3.573 . 0 0 "[ . 1 . 2 . 3]" 1
428 1 23 SER HB2 1 24 ARG HB2 4.000 . 6.000 4.268 4.038 4.701 . 0 0 "[ . 1 . 2 . 3]" 1
429 1 23 SER HB2 1 24 ARG HB3 4.300 . 6.000 5.299 5.001 5.990 . 0 0 "[ . 1 . 2 . 3]" 1
430 1 23 SER HB2 1 25 GLU H 4.100 . 6.000 5.221 5.013 5.823 . 0 0 "[ . 1 . 2 . 3]" 1
431 1 23 SER HB2 1 41 PHE HZ 3.400 . 4.900 3.125 2.384 3.505 . 0 0 "[ . 1 . 2 . 3]" 1
432 1 23 SER HB3 1 24 ARG H 4.000 . 6.000 3.852 3.616 4.344 . 0 0 "[ . 1 . 2 . 3]" 1
433 1 23 SER HB3 1 41 PHE QE 3.500 . 8.000 2.558 2.105 3.171 . 0 0 "[ . 1 . 2 . 3]" 1
434 1 23 SER HB3 1 41 PHE HZ 2.700 . 3.600 2.015 1.991 2.157 . 0 0 "[ . 1 . 2 . 3]" 1
435 1 24 ARG H 1 24 ARG HB2 2.700 . 3.600 2.321 2.013 2.481 . 0 0 "[ . 1 . 2 . 3]" 1
436 1 24 ARG H 1 24 ARG HB3 3.600 . 5.200 2.669 2.441 3.447 . 0 0 "[ . 1 . 2 . 3]" 1
437 1 24 ARG H 1 24 ARG QD 5.100 . 7.000 4.330 4.094 4.725 . 0 0 "[ . 1 . 2 . 3]" 1
438 1 24 ARG H 1 24 ARG QG 3.100 . 5.300 3.802 2.764 3.979 . 0 0 "[ . 1 . 2 . 3]" 1
439 1 24 ARG H 1 25 GLU HB2 4.800 . 6.000 4.544 4.243 6.013 0.013 27 0 "[ . 1 . 2 . 3]" 1
440 1 24 ARG H 1 25 GLU HB3 5.600 . 6.000 5.808 4.819 6.027 0.027 14 0 "[ . 1 . 2 . 3]" 1
441 1 24 ARG H 1 41 PHE QE 3.800 . 8.600 3.194 2.685 4.013 . 0 0 "[ . 1 . 2 . 3]" 1
442 1 24 ARG H 1 41 PHE HZ 4.200 . 6.000 4.419 3.634 5.127 . 0 0 "[ . 1 . 2 . 3]" 1
443 1 24 ARG HA 1 25 GLU H 3.400 . 4.900 3.562 3.536 3.585 . 0 0 "[ . 1 . 2 . 3]" 1
444 1 24 ARG HA 1 26 GLU H 4.300 . 6.000 4.486 4.030 4.891 . 0 0 "[ . 1 . 2 . 3]" 1
445 1 24 ARG HA 1 27 HIS HB2 3.300 . 4.600 3.086 2.419 3.907 . 0 0 "[ . 1 . 2 . 3]" 1
446 1 24 ARG HA 1 28 LYS H 4.600 . 6.000 5.021 4.217 6.018 0.018 28 0 "[ . 1 . 2 . 3]" 1
447 1 24 ARG HA 1 41 PHE QE 3.000 . 7.100 3.363 2.833 3.808 . 0 0 "[ . 1 . 2 . 3]" 1
448 1 24 ARG HA 1 41 PHE HZ 3.100 . 4.300 3.829 3.097 4.308 0.008 14 0 "[ . 1 . 2 . 3]" 1
449 1 24 ARG HB2 1 25 GLU H 2.800 . 3.800 3.596 2.661 3.809 0.009 23 0 "[ . 1 . 2 . 3]" 1
450 1 24 ARG HB2 1 41 PHE QE 4.300 . 9.000 3.516 2.710 4.510 . 0 0 "[ . 1 . 2 . 3]" 1
451 1 24 ARG HB3 1 25 GLU H 3.600 . 5.200 2.586 2.336 3.156 . 0 0 "[ . 1 . 2 . 3]" 1
452 1 24 ARG HB3 1 41 PHE QE 4.300 . 9.000 4.839 4.086 5.566 . 0 0 "[ . 1 . 2 . 3]" 1
453 1 24 ARG QD 1 27 HIS HD2 4.700 . 7.000 5.695 4.294 6.293 . 0 0 "[ . 1 . 2 . 3]" 1
454 1 24 ARG QD 1 41 PHE QD 4.100 . 9.000 5.317 3.022 6.568 . 0 0 "[ . 1 . 2 . 3]" 1
455 1 24 ARG QD 1 41 PHE QE 4.600 . 10.000 5.372 3.865 6.087 . 0 0 "[ . 1 . 2 . 3]" 1
456 1 24 ARG QG 1 25 GLU H 4.200 . 7.000 4.120 3.618 4.418 . 0 0 "[ . 1 . 2 . 3]" 1
457 1 24 ARG QG 1 41 PHE QE 3.200 . 8.500 4.187 2.541 4.933 . 0 0 "[ . 1 . 2 . 3]" 1
458 1 25 GLU H 1 25 GLU HA 2.700 . 3.600 2.866 2.835 2.891 . 0 0 "[ . 1 . 2 . 3]" 1
459 1 25 GLU H 1 25 GLU HB2 2.600 . 3.400 2.286 2.041 3.517 0.117 11 0 "[ . 1 . 2 . 3]" 1
460 1 25 GLU H 1 25 GLU HB3 3.100 . 4.300 3.357 2.420 3.532 . 0 0 "[ . 1 . 2 . 3]" 1
461 1 25 GLU H 1 25 GLU HG2 3.500 . 5.000 3.442 1.988 4.577 0.012 11 0 "[ . 1 . 2 . 3]" 1
462 1 25 GLU H 1 25 GLU HG3 2.900 . 4.000 2.707 2.252 4.004 0.004 5 0 "[ . 1 . 2 . 3]" 1
463 1 25 GLU H 1 26 GLU H 2.600 . 3.400 2.714 2.601 2.876 . 0 0 "[ . 1 . 2 . 3]" 1
464 1 25 GLU HA 1 25 GLU HB2 2.900 . 3.900 2.944 2.476 3.034 . 0 0 "[ . 1 . 2 . 3]" 1
465 1 25 GLU HA 1 25 GLU HB3 2.500 . 3.300 2.637 2.465 2.976 . 0 0 "[ . 1 . 2 . 3]" 1
466 1 25 GLU HA 1 25 GLU HG2 2.900 . 4.000 2.407 2.179 3.790 . 0 0 "[ . 1 . 2 . 3]" 1
467 1 25 GLU HA 1 25 GLU HG3 3.500 . 5.000 3.006 2.067 3.684 . 0 0 "[ . 1 . 2 . 3]" 1
468 1 25 GLU HA 1 26 GLU H 2.800 . 3.800 3.557 3.511 3.588 . 0 0 "[ . 1 . 2 . 3]" 1
469 1 25 GLU HA 1 28 LYS H 3.200 . 4.400 4.043 3.411 4.419 0.019 30 0 "[ . 1 . 2 . 3]" 1
470 1 25 GLU HG2 1 27 HIS H 4.800 . 6.000 5.882 4.873 6.014 0.014 24 0 "[ . 1 . 2 . 3]" 1
471 1 25 GLU HG3 1 27 HIS H 4.700 . 6.000 5.889 4.488 6.012 0.012 14 0 "[ . 1 . 2 . 3]" 1
472 1 26 GLU H 1 26 GLU HA 2.500 . 3.300 2.897 2.852 2.975 . 0 0 "[ . 1 . 2 . 3]" 1
473 1 26 GLU H 1 26 GLU HB2 2.300 . 6.000 2.484 2.299 3.544 . 0 0 "[ . 1 . 2 . 3]" 1
474 1 26 GLU H 1 26 GLU HB3 2.900 . 4.000 2.495 2.389 2.607 . 0 0 "[ . 1 . 2 . 3]" 1
475 1 26 GLU H 1 26 GLU HG2 3.700 . 5.400 4.380 1.992 4.652 0.008 29 0 "[ . 1 . 2 . 3]" 1
476 1 26 GLU H 1 26 GLU HG3 3.700 . 5.400 4.360 2.832 4.569 . 0 0 "[ . 1 . 2 . 3]" 1
477 1 26 GLU H 1 27 HIS HB2 4.800 . 6.000 4.636 4.084 4.931 . 0 0 "[ . 1 . 2 . 3]" 1
478 1 26 GLU H 1 27 HIS HB3 4.900 . 6.000 4.851 4.564 5.117 . 0 0 "[ . 1 . 2 . 3]" 1
479 1 26 GLU H 1 28 LYS QB 4.300 . 7.000 5.255 4.725 5.926 . 0 0 "[ . 1 . 2 . 3]" 1
480 1 26 GLU H 1 29 LYS QD 3.600 . 7.000 5.355 4.340 6.203 . 0 0 "[ . 1 . 2 . 3]" 1
481 1 26 GLU HA 1 26 GLU HB2 2.500 . 3.300 2.508 2.471 2.578 . 0 0 "[ . 1 . 2 . 3]" 1
482 1 26 GLU HA 1 26 GLU HB3 2.400 . 3.100 3.016 2.461 3.040 . 0 0 "[ . 1 . 2 . 3]" 1
483 1 26 GLU HA 1 26 GLU HG2 3.200 . 4.500 3.149 2.306 3.836 . 0 0 "[ . 1 . 2 . 3]" 1
484 1 26 GLU HA 1 26 GLU HG3 3.300 . 4.700 2.620 2.287 3.637 . 0 0 "[ . 1 . 2 . 3]" 1
485 1 26 GLU HA 1 27 HIS H 3.100 . 4.300 3.428 3.074 3.525 . 0 0 "[ . 1 . 2 . 3]" 1
486 1 26 GLU HB2 1 27 HIS H 3.500 . 5.100 4.101 3.909 4.513 . 0 0 "[ . 1 . 2 . 3]" 1
487 1 26 GLU HB3 1 27 HIS H 3.400 . 4.900 3.145 2.718 4.088 . 0 0 "[ . 1 . 2 . 3]" 1
488 1 26 GLU HG2 1 27 HIS H 4.700 . 6.000 4.431 3.033 5.671 . 0 0 "[ . 1 . 2 . 3]" 1
489 1 26 GLU HG3 1 27 HIS H 4.500 . 6.000 4.755 2.197 5.411 . 0 0 "[ . 1 . 2 . 3]" 1
490 1 27 HIS H 1 27 HIS HA 2.600 . 3.400 2.934 2.868 2.990 . 0 0 "[ . 1 . 2 . 3]" 1
491 1 27 HIS H 1 27 HIS HB2 2.600 . 3.400 2.510 2.249 2.756 . 0 0 "[ . 1 . 2 . 3]" 1
492 1 27 HIS H 1 27 HIS HB3 2.500 . 3.300 2.491 2.353 2.661 . 0 0 "[ . 1 . 2 . 3]" 1
493 1 27 HIS H 1 28 LYS H 2.600 . 3.500 2.643 2.191 3.049 . 0 0 "[ . 1 . 2 . 3]" 1
494 1 27 HIS H 1 29 LYS H 3.900 . 5.900 4.449 3.421 5.441 . 0 0 "[ . 1 . 2 . 3]" 1
495 1 27 HIS H 1 41 PHE QE 4.900 . 9.000 5.377 4.922 6.142 . 0 0 "[ . 1 . 2 . 3]" 1
496 1 27 HIS H 1 41 PHE HZ 4.500 . 6.000 5.069 4.565 6.015 0.015 9 0 "[ . 1 . 2 . 3]" 1
497 1 27 HIS HA 1 27 HIS HB3 2.900 . 3.900 3.035 3.025 3.042 . 0 0 "[ . 1 . 2 . 3]" 1
498 1 27 HIS HA 1 27 HIS HD2 3.600 . 5.300 4.163 3.871 4.415 . 0 0 "[ . 1 . 2 . 3]" 1
499 1 27 HIS HA 1 28 LYS H 3.500 . 5.000 3.384 2.906 3.588 . 0 0 "[ . 1 . 2 . 3]" 1
500 1 27 HIS HA 1 30 LYS H 4.500 . 6.000 4.012 3.564 4.923 . 0 0 "[ . 1 . 2 . 3]" 1
501 1 27 HIS HA 1 31 HIS HE1 4.900 . 6.000 5.250 2.019 6.068 0.068 17 0 "[ . 1 . 2 . 3]" 1
502 1 27 HIS HA 1 41 PHE QE 3.900 . 8.800 5.288 4.856 5.626 . 0 0 "[ . 1 . 2 . 3]" 1
503 1 27 HIS HA 1 41 PHE HZ 3.800 . 5.600 5.523 4.955 5.622 0.022 13 0 "[ . 1 . 2 . 3]" 1
504 1 27 HIS HB2 1 27 HIS HD2 3.100 . 4.300 3.926 3.842 3.986 . 0 0 "[ . 1 . 2 . 3]" 1
505 1 27 HIS HB2 1 28 LYS H 3.800 . 5.700 4.028 3.625 4.593 . 0 0 "[ . 1 . 2 . 3]" 1
506 1 27 HIS HB2 1 31 HIS HD2 5.000 . 6.000 4.307 3.651 6.067 0.067 28 0 "[ . 1 . 2 . 3]" 1
507 1 27 HIS HB2 1 41 PHE QD 4.300 . 8.000 5.058 4.488 5.518 . 0 0 "[ . 1 . 2 . 3]" 1
508 1 27 HIS HB2 1 41 PHE QE 3.500 . 8.000 3.624 2.913 4.182 . 0 0 "[ . 1 . 2 . 3]" 1
509 1 27 HIS HB2 1 41 PHE HZ 3.200 . 4.500 3.445 3.111 4.000 . 0 0 "[ . 1 . 2 . 3]" 1
510 1 27 HIS HB3 1 28 LYS H 3.000 . 4.100 3.016 2.202 4.133 0.033 14 0 "[ . 1 . 2 . 3]" 1
511 1 27 HIS HB3 1 41 PHE QE 3.900 . 8.800 4.642 3.905 5.414 . 0 0 "[ . 1 . 2 . 3]" 1
512 1 27 HIS HD2 1 28 LYS HA 3.100 . 4.300 3.783 3.158 4.338 0.038 12 0 "[ . 1 . 2 . 3]" 1
513 1 27 HIS HD2 1 28 LYS QB 3.900 . 6.800 4.875 3.850 5.759 . 0 0 "[ . 1 . 2 . 3]" 1
514 1 27 HIS HD2 1 31 HIS HB2 3.800 . 5.600 3.050 2.166 3.997 . 0 0 "[ . 1 . 2 . 3]" 1
515 1 27 HIS HD2 1 31 HIS HB3 4.200 . 6.000 3.640 2.671 4.563 . 0 0 "[ . 1 . 2 . 3]" 1
516 1 27 HIS HD2 1 34 SER QB 3.900 . 6.800 4.548 3.693 5.569 . 0 0 "[ . 1 . 2 . 3]" 1
517 1 27 HIS HD2 1 36 VAL HA 4.600 . 6.000 5.637 5.094 6.009 0.009 28 0 "[ . 1 . 2 . 3]" 1
518 1 27 HIS HD2 1 36 VAL HB 4.300 . 6.000 3.578 2.678 5.735 . 0 0 "[ . 1 . 2 . 3]" 1
519 1 27 HIS HD2 1 36 VAL MG1 3.400 . 6.300 2.567 1.973 4.240 . 0 0 "[ . 1 . 2 . 3]" 1
520 1 27 HIS HD2 1 36 VAL MG2 3.300 . 6.100 3.248 2.297 4.505 . 0 0 "[ . 1 . 2 . 3]" 1
521 1 27 HIS HE1 1 31 HIS HB2 4.200 . 6.000 4.918 4.205 5.661 . 0 0 "[ . 1 . 2 . 3]" 1
522 1 27 HIS HE1 1 31 HIS HB3 3.700 . 5.400 4.437 2.727 5.403 0.003 3 0 "[ . 1 . 2 . 3]" 1
523 1 27 HIS HE1 1 31 HIS HD2 3.900 . 5.800 3.465 2.792 4.102 . 0 0 "[ . 1 . 2 . 3]" 1
524 1 27 HIS HE1 1 34 SER QB 3.300 . 5.700 4.514 2.678 5.119 . 0 0 "[ . 1 . 2 . 3]" 1
525 1 27 HIS HE1 1 36 VAL HA 4.100 . 6.000 5.897 5.273 6.030 0.030 28 0 "[ . 1 . 2 . 3]" 1
526 1 27 HIS HE1 1 36 VAL MG1 3.700 . 6.900 4.746 2.917 5.649 . 0 0 "[ . 1 . 2 . 3]" 1
527 1 27 HIS HE1 1 36 VAL MG2 3.500 . 7.500 4.109 3.339 5.393 . 0 0 "[ . 1 . 2 . 3]" 1
528 1 27 HIS HE1 1 41 PHE QD 4.000 . 8.000 4.392 3.046 5.481 . 0 0 "[ . 1 . 2 . 3]" 1
529 1 27 HIS HE1 1 41 PHE QE 4.300 . 9.000 4.017 2.621 5.161 . 0 0 "[ . 1 . 2 . 3]" 1
530 1 28 LYS H 1 28 LYS HA 2.800 . 3.800 2.921 2.842 3.004 . 0 0 "[ . 1 . 2 . 3]" 1
531 1 28 LYS H 1 28 LYS QB 2.400 . 4.100 2.208 2.067 2.480 . 0 0 "[ . 1 . 2 . 3]" 1
532 1 28 LYS H 1 28 LYS HG2 4.400 . 6.000 4.012 2.760 4.745 . 0 0 "[ . 1 . 2 . 3]" 1
533 1 28 LYS H 1 28 LYS HG3 4.100 . 6.000 3.901 2.441 4.737 . 0 0 "[ . 1 . 2 . 3]" 1
534 1 28 LYS H 1 29 LYS H 2.800 . 3.700 2.745 1.998 3.684 . 0 0 "[ . 1 . 2 . 3]" 1
535 1 28 LYS H 1 29 LYS QD 2.700 . 7.000 4.910 2.235 6.207 . 0 0 "[ . 1 . 2 . 3]" 1
536 1 28 LYS HA 1 28 LYS QB 2.400 . 4.100 2.459 2.412 2.550 . 0 0 "[ . 1 . 2 . 3]" 1
537 1 28 LYS HA 1 28 LYS HG2 3.100 . 4.300 2.614 2.145 3.662 . 0 0 "[ . 1 . 2 . 3]" 1
538 1 28 LYS HA 1 28 LYS HG3 2.900 . 4.000 2.865 2.216 3.615 . 0 0 "[ . 1 . 2 . 3]" 1
539 1 28 LYS HA 1 29 LYS HG3 4.000 . 6.000 5.335 4.490 6.002 0.002 3 0 "[ . 1 . 2 . 3]" 1
540 1 28 LYS HA 1 31 HIS HB2 2.600 . 6.000 3.288 2.739 4.007 . 0 0 "[ . 1 . 2 . 3]" 1
541 1 28 LYS HA 1 31 HIS HB3 3.300 . 6.000 4.802 4.228 5.583 . 0 0 "[ . 1 . 2 . 3]" 1
542 1 28 LYS QB 1 28 LYS QE 3.400 . 6.800 3.022 1.978 3.786 . 0 0 "[ . 1 . 2 . 3]" 1
543 1 29 LYS H 1 29 LYS HA 2.900 . 3.900 2.922 2.845 3.003 . 0 0 "[ . 1 . 2 . 3]" 1
544 1 29 LYS H 1 29 LYS QB 2.500 . 4.300 2.291 2.106 2.812 . 0 0 "[ . 1 . 2 . 3]" 1
545 1 29 LYS H 1 29 LYS HG2 3.400 . 4.800 3.912 3.236 4.796 . 0 0 "[ . 1 . 2 . 3]" 1
546 1 29 LYS H 1 29 LYS HG3 4.700 . 6.000 2.899 2.074 4.650 . 0 0 "[ . 1 . 2 . 3]" 1
547 1 29 LYS H 1 31 HIS H 4.000 . 6.000 3.796 2.663 4.158 . 0 0 "[ . 1 . 2 . 3]" 1
548 1 29 LYS HA 1 29 LYS QB 2.300 . 3.900 2.458 2.401 2.519 . 0 0 "[ . 1 . 2 . 3]" 1
549 1 29 LYS HA 1 29 LYS QD 2.800 . 4.800 3.886 2.979 4.141 . 0 0 "[ . 1 . 2 . 3]" 1
550 1 29 LYS HA 1 29 LYS HG2 3.000 . 4.100 2.498 2.189 3.434 . 0 0 "[ . 1 . 2 . 3]" 1
551 1 29 LYS HA 1 29 LYS HG3 3.400 . 4.900 2.760 2.085 3.109 . 0 0 "[ . 1 . 2 . 3]" 1
552 1 29 LYS QB 1 29 LYS HG2 2.500 . 4.300 2.351 2.178 2.462 . 0 0 "[ . 1 . 2 . 3]" 1
553 1 29 LYS QB 1 29 LYS HG3 2.400 . 4.100 2.375 2.269 2.497 . 0 0 "[ . 1 . 2 . 3]" 1
554 1 29 LYS QB 1 31 HIS H 4.700 . 7.000 4.649 4.328 5.013 . 0 0 "[ . 1 . 2 . 3]" 1
555 1 29 LYS QE 1 29 LYS HG2 3.100 . 5.300 2.376 2.170 3.301 . 0 0 "[ . 1 . 2 . 3]" 1
556 1 29 LYS QE 1 29 LYS HG3 2.700 . 4.600 2.791 2.221 3.366 . 0 0 "[ . 1 . 2 . 3]" 1
557 1 30 LYS H 1 30 LYS HA 3.000 . 4.100 2.991 2.954 3.003 . 0 0 "[ . 1 . 2 . 3]" 1
558 1 30 LYS H 1 30 LYS HB2 3.500 . 5.100 3.660 2.907 3.807 . 0 0 "[ . 1 . 2 . 3]" 1
559 1 30 LYS H 1 30 LYS HB3 3.200 . 4.500 2.991 2.055 3.289 . 0 0 "[ . 1 . 2 . 3]" 1
560 1 30 LYS H 1 30 LYS HG2 2.900 . 3.900 2.209 1.913 4.081 0.181 21 0 "[ . 1 . 2 . 3]" 1
561 1 30 LYS H 1 30 LYS HG3 3.500 . 5.000 3.227 2.135 4.253 . 0 0 "[ . 1 . 2 . 3]" 1
562 1 30 LYS H 1 31 HIS H 2.700 . 3.600 2.545 2.111 3.450 . 0 0 "[ . 1 . 2 . 3]" 1
563 1 30 LYS HA 1 30 LYS HB2 2.700 . 3.600 2.495 2.347 2.582 . 0 0 "[ . 1 . 2 . 3]" 1
564 1 30 LYS HA 1 30 LYS HB3 2.600 . 3.500 2.475 2.373 3.008 . 0 0 "[ . 1 . 2 . 3]" 1
565 1 30 LYS HA 1 30 LYS QD 3.700 . 6.400 4.078 3.344 4.448 . 0 0 "[ . 1 . 2 . 3]" 1
566 1 30 LYS HA 1 30 LYS HG2 3.000 . 4.100 3.656 3.530 3.920 . 0 0 "[ . 1 . 2 . 3]" 1
567 1 30 LYS HA 1 30 LYS HG3 3.000 . 4.100 3.861 2.790 4.147 0.047 12 0 "[ . 1 . 2 . 3]" 1
568 1 30 LYS HA 1 31 HIS H 3.000 . 4.200 3.060 2.604 3.506 . 0 0 "[ . 1 . 2 . 3]" 1
569 1 30 LYS HA 1 31 HIS HE1 4.900 . 6.000 5.964 5.462 6.072 0.072 10 0 "[ . 1 . 2 . 3]" 1
570 1 30 LYS HB2 1 30 LYS HG3 2.500 . 3.300 2.414 2.244 2.824 . 0 0 "[ . 1 . 2 . 3]" 1
571 1 30 LYS HB2 1 31 HIS H 3.800 . 5.600 4.408 3.952 4.474 . 0 0 "[ . 1 . 2 . 3]" 1
572 1 30 LYS HB2 1 31 HIS HD2 3.500 . 5.000 5.024 4.894 5.071 0.071 12 0 "[ . 1 . 2 . 3]" 1
573 1 30 LYS HB2 1 31 HIS HE1 4.000 . 6.000 4.658 4.097 6.029 0.029 21 0 "[ . 1 . 2 . 3]" 1
574 1 30 LYS HB3 1 30 LYS HG2 2.600 . 3.400 2.648 2.216 2.907 . 0 0 "[ . 1 . 2 . 3]" 1
575 1 30 LYS HB3 1 30 LYS HG3 2.500 . 3.300 2.909 2.816 3.032 . 0 0 "[ . 1 . 2 . 3]" 1
576 1 30 LYS HB3 1 31 HIS H 4.000 . 6.000 4.476 3.079 4.695 . 0 0 "[ . 1 . 2 . 3]" 1
577 1 30 LYS HB3 1 31 HIS HD2 3.300 . 6.000 5.418 3.489 6.079 0.079 28 0 "[ . 1 . 2 . 3]" 1
578 1 30 LYS HB3 1 31 HIS HE1 4.700 . 6.000 5.662 5.260 5.924 . 0 0 "[ . 1 . 2 . 3]" 1
579 1 30 LYS QD 1 31 HIS HD2 3.800 . 6.600 3.913 2.581 5.296 . 0 0 "[ . 1 . 2 . 3]" 1
580 1 30 LYS QD 1 31 HIS HE1 3.900 . 6.800 4.102 2.654 5.412 . 0 0 "[ . 1 . 2 . 3]" 1
581 1 30 LYS HG2 1 31 HIS H 4.200 . 6.000 3.779 3.018 4.588 . 0 0 "[ . 1 . 2 . 3]" 1
582 1 30 LYS HG2 1 31 HIS HD2 2.900 . 3.900 3.153 2.440 3.912 0.012 13 0 "[ . 1 . 2 . 3]" 1
583 1 30 LYS HG2 1 31 HIS HE1 5.000 . 6.000 4.390 2.779 5.653 . 0 0 "[ . 1 . 2 . 3]" 1
584 1 30 LYS HG3 1 31 HIS H 3.800 . 5.600 4.278 2.215 5.320 . 0 0 "[ . 1 . 2 . 3]" 1
585 1 30 LYS HG3 1 31 HIS HD2 2.900 . 4.000 3.241 2.558 4.049 0.049 17 0 "[ . 1 . 2 . 3]" 1
586 1 30 LYS HG3 1 31 HIS HE1 3.800 . 5.600 3.755 3.130 4.674 . 0 0 "[ . 1 . 2 . 3]" 1
587 1 31 HIS H 1 31 HIS HB2 3.000 . 4.100 2.726 2.456 2.946 . 0 0 "[ . 1 . 2 . 3]" 1
588 1 31 HIS H 1 31 HIS HB3 3.800 . 5.600 3.845 3.682 3.926 . 0 0 "[ . 1 . 2 . 3]" 1
589 1 31 HIS H 1 32 PRO HA 4.300 . 6.000 4.320 4.233 4.613 . 0 0 "[ . 1 . 2 . 3]" 1
590 1 31 HIS H 1 32 PRO HD2 4.600 . 6.000 3.858 3.432 4.377 . 0 0 "[ . 1 . 2 . 3]" 1
591 1 31 HIS H 1 32 PRO HD3 3.400 . 4.800 2.864 2.333 3.533 . 0 0 "[ . 1 . 2 . 3]" 1
592 1 31 HIS HA 1 31 HIS HB3 2.800 . 3.800 2.486 2.385 2.533 . 0 0 "[ . 1 . 2 . 3]" 1
593 1 31 HIS HA 1 32 PRO HD2 2.500 . 3.300 2.330 2.124 2.540 . 0 0 "[ . 1 . 2 . 3]" 1
594 1 31 HIS HA 1 32 PRO HD3 3.000 . 4.100 3.010 2.699 3.261 . 0 0 "[ . 1 . 2 . 3]" 1
595 1 31 HIS HA 1 33 ASP H 3.900 . 5.800 3.738 3.371 3.992 . 0 0 "[ . 1 . 2 . 3]" 1
596 1 31 HIS HB2 1 31 HIS HD2 2.900 . 4.000 3.006 2.747 4.001 0.001 30 0 "[ . 1 . 2 . 3]" 1
597 1 31 HIS HB2 1 31 HIS HE1 4.900 . 6.000 5.239 4.746 5.366 . 0 0 "[ . 1 . 2 . 3]" 1
598 1 31 HIS HB2 1 33 ASP H 4.500 . 6.000 5.744 5.167 6.008 0.008 28 0 "[ . 1 . 2 . 3]" 1
599 1 31 HIS HB2 1 34 SER H 4.800 . 6.000 5.073 4.491 5.620 . 0 0 "[ . 1 . 2 . 3]" 1
600 1 31 HIS HB2 1 36 VAL MG1 3.000 . 7.500 4.849 3.921 6.154 . 0 0 "[ . 1 . 2 . 3]" 1
601 1 31 HIS HB2 1 36 VAL MG2 3.000 . 7.500 5.675 3.900 6.209 . 0 0 "[ . 1 . 2 . 3]" 1
602 1 31 HIS HB3 1 31 HIS HD2 3.600 . 5.200 3.540 2.974 3.729 . 0 0 "[ . 1 . 2 . 3]" 1
603 1 31 HIS HB3 1 31 HIS HE1 4.900 . 6.000 5.012 4.906 5.299 . 0 0 "[ . 1 . 2 . 3]" 1
604 1 31 HIS HB3 1 33 ASP H 4.000 . 6.000 4.953 4.113 5.591 . 0 0 "[ . 1 . 2 . 3]" 1
605 1 31 HIS HB3 1 34 SER H 4.200 . 6.000 3.972 3.213 4.602 . 0 0 "[ . 1 . 2 . 3]" 1
606 1 31 HIS HB3 1 36 VAL MG1 3.200 . 7.500 4.934 3.298 6.202 . 0 0 "[ . 1 . 2 . 3]" 1
607 1 32 PRO HA 1 32 PRO HB3 2.500 . 3.300 2.314 2.312 2.315 . 0 0 "[ . 1 . 2 . 3]" 1
608 1 32 PRO HA 1 32 PRO QG 3.200 . 5.500 3.514 3.512 3.516 . 0 0 "[ . 1 . 2 . 3]" 1
609 1 32 PRO HA 1 33 ASP H 2.900 . 3.900 3.569 3.525 3.589 . 0 0 "[ . 1 . 2 . 3]" 1
610 1 32 PRO HB2 1 33 ASP H 3.600 . 5.200 3.092 2.896 3.412 . 0 0 "[ . 1 . 2 . 3]" 1
611 1 32 PRO HB3 1 33 ASP H 4.500 . 6.000 4.008 3.896 4.192 . 0 0 "[ . 1 . 2 . 3]" 1
612 1 32 PRO HD2 1 33 ASP H 3.200 . 4.500 2.560 2.475 2.635 . 0 0 "[ . 1 . 2 . 3]" 1
613 1 32 PRO HD3 1 32 PRO QG 2.600 . 4.400 2.213 2.210 2.217 . 0 0 "[ . 1 . 2 . 3]" 1
614 1 32 PRO HD3 1 33 ASP H 4.700 . 6.000 3.791 3.751 3.827 . 0 0 "[ . 1 . 2 . 3]" 1
615 1 33 ASP H 1 33 ASP HA 2.700 . 3.600 2.976 2.931 3.004 . 0 0 "[ . 1 . 2 . 3]" 1
616 1 33 ASP H 1 33 ASP QB 2.900 . 4.900 2.400 2.120 2.918 . 0 0 "[ . 1 . 2 . 3]" 1
617 1 33 ASP H 1 34 SER H 2.600 . 3.500 3.082 2.275 3.509 0.009 17 0 "[ . 1 . 2 . 3]" 1
618 1 33 ASP H 1 34 SER QB 4.500 . 7.000 3.974 3.380 4.873 . 0 0 "[ . 1 . 2 . 3]" 1
619 1 33 ASP HA 1 33 ASP QB 2.600 . 4.400 2.380 2.204 2.467 . 0 0 "[ . 1 . 2 . 3]" 1
620 1 33 ASP HA 1 34 SER H 3.200 . 4.500 2.892 2.396 3.576 . 0 0 "[ . 1 . 2 . 3]" 1
621 1 33 ASP QB 1 34 SER H 4.300 . 7.000 3.727 2.365 4.068 . 0 0 "[ . 1 . 2 . 3]" 1
622 1 33 ASP QB 1 34 SER HA 2.900 . 7.000 4.477 4.021 4.746 . 0 0 "[ . 1 . 2 . 3]" 1
623 1 34 SER H 1 34 SER QB 2.800 . 4.800 2.538 2.120 2.863 . 0 0 "[ . 1 . 2 . 3]" 1
624 1 34 SER H 1 35 SER H 3.700 . 5.400 3.881 1.995 4.651 0.005 11 0 "[ . 1 . 2 . 3]" 1
625 1 34 SER HA 1 34 SER QB 2.200 . 3.800 2.433 2.196 2.538 . 0 0 "[ . 1 . 2 . 3]" 1
626 1 34 SER QB 1 35 SER QB 1.600 . 8.000 4.947 4.023 5.433 . 0 0 "[ . 1 . 2 . 3]" 1
627 1 35 SER H 1 35 SER HA 2.300 . 2.900 2.846 2.355 2.971 0.071 2 0 "[ . 1 . 2 . 3]" 1
628 1 35 SER H 1 35 SER QB 2.700 . 4.600 2.501 2.182 3.385 . 0 0 "[ . 1 . 2 . 3]" 1
629 1 35 SER H 1 36 VAL H 3.400 . 4.800 4.391 2.872 4.666 . 0 0 "[ . 1 . 2 . 3]" 1
630 1 35 SER H 1 36 VAL MG1 4.300 . 7.500 5.137 3.981 6.267 . 0 0 "[ . 1 . 2 . 3]" 1
631 1 35 SER H 1 36 VAL MG2 3.500 . 7.500 5.901 3.871 6.278 . 0 0 "[ . 1 . 2 . 3]" 1
632 1 35 SER HA 1 35 SER QB 2.300 . 4.000 2.356 2.189 2.458 . 0 0 "[ . 1 . 2 . 3]" 1
633 1 35 SER HA 1 36 VAL H 2.400 . 3.100 2.469 2.218 2.844 . 0 0 "[ . 1 . 2 . 3]" 1
634 1 35 SER HA 1 36 VAL HB 3.700 . 5.400 4.577 4.131 5.524 0.124 28 0 "[ . 1 . 2 . 3]" 1
635 1 35 SER QB 1 36 VAL H 3.400 . 5.800 3.034 1.977 4.078 . 0 0 "[ . 1 . 2 . 3]" 1
636 1 36 VAL H 1 36 VAL HA 2.900 . 3.900 2.944 2.901 2.993 . 0 0 "[ . 1 . 2 . 3]" 1
637 1 36 VAL H 1 36 VAL HB 3.000 . 4.100 3.276 2.350 3.849 . 0 0 "[ . 1 . 2 . 3]" 1
638 1 36 VAL H 1 36 VAL MG1 3.500 . 6.500 2.401 1.943 3.737 . 0 0 "[ . 1 . 2 . 3]" 1
639 1 36 VAL H 1 36 VAL MG2 3.400 . 6.300 3.511 1.965 4.000 . 0 0 "[ . 1 . 2 . 3]" 1
640 1 36 VAL H 1 37 ASN QB 3.600 . 7.000 4.824 4.158 5.839 . 0 0 "[ . 1 . 2 . 3]" 1
641 1 36 VAL HA 1 36 VAL HB 2.600 . 3.500 2.518 2.457 3.040 . 0 0 "[ . 1 . 2 . 3]" 1
642 1 36 VAL HA 1 36 VAL MG1 2.500 . 4.800 2.983 1.993 3.207 . 0 0 "[ . 1 . 2 . 3]" 1
643 1 36 VAL HA 1 36 VAL MG2 2.700 . 5.100 2.479 2.271 3.209 . 0 0 "[ . 1 . 2 . 3]" 1
644 1 36 VAL HA 1 37 ASN H 2.300 . 3.000 2.449 2.207 2.653 . 0 0 "[ . 1 . 2 . 3]" 1
645 1 36 VAL HA 1 41 PHE HB2 2.800 . 3.800 3.813 3.624 3.858 0.058 20 0 "[ . 1 . 2 . 3]" 1
646 1 36 VAL HB 1 36 VAL MG1 2.400 . 4.600 2.128 2.109 2.146 . 0 0 "[ . 1 . 2 . 3]" 1
647 1 36 VAL HB 1 36 VAL MG2 2.400 . 4.600 2.140 2.114 2.151 . 0 0 "[ . 1 . 2 . 3]" 1
648 1 36 VAL HB 1 37 ASN H 4.000 . 6.000 4.517 3.618 4.695 . 0 0 "[ . 1 . 2 . 3]" 1
649 1 36 VAL MG1 1 37 ASN H 3.900 . 7.300 3.995 3.369 4.310 . 0 0 "[ . 1 . 2 . 3]" 1
650 1 36 VAL MG1 1 38 PHE HA 3.800 . 7.100 5.509 3.166 5.952 . 0 0 "[ . 1 . 2 . 3]" 1
651 1 36 VAL MG1 1 38 PHE QD 4.300 . 9.500 6.156 4.399 6.966 . 0 0 "[ . 1 . 2 . 3]" 1
652 1 36 VAL MG1 1 38 PHE QE 3.900 . 10.300 6.349 4.944 7.669 . 0 0 "[ . 1 . 2 . 3]" 1
653 1 36 VAL MG1 1 41 PHE H 4.400 . 7.500 5.605 3.382 6.200 . 0 0 "[ . 1 . 2 . 3]" 1
654 1 36 VAL MG1 1 41 PHE HB2 3.300 . 6.100 3.785 1.960 4.357 . 0 0 "[ . 1 . 2 . 3]" 1
655 1 36 VAL MG1 1 41 PHE HB3 3.400 . 6.400 4.755 2.484 5.297 . 0 0 "[ . 1 . 2 . 3]" 1
656 1 36 VAL MG1 1 41 PHE QD 3.300 . 8.100 4.204 2.958 4.759 . 0 0 "[ . 1 . 2 . 3]" 1
657 1 36 VAL MG1 1 41 PHE QE 3.600 . 9.700 4.904 3.766 5.255 . 0 0 "[ . 1 . 2 . 3]" 1
658 1 36 VAL MG1 1 41 PHE HZ 4.300 . 7.500 5.958 4.992 6.176 . 0 0 "[ . 1 . 2 . 3]" 1
659 1 36 VAL MG2 1 37 ASN H 4.100 . 7.500 3.869 2.339 4.405 . 0 0 "[ . 1 . 2 . 3]" 1
660 1 36 VAL MG2 1 38 PHE HA 3.700 . 6.900 4.677 3.537 5.774 . 0 0 "[ . 1 . 2 . 3]" 1
661 1 36 VAL MG2 1 38 PHE QD 3.900 . 9.300 5.756 4.654 6.605 . 0 0 "[ . 1 . 2 . 3]" 1
662 1 36 VAL MG2 1 38 PHE QE 4.300 . 10.500 6.319 4.894 7.013 . 0 0 "[ . 1 . 2 . 3]" 1
663 1 36 VAL MG2 1 41 PHE H 4.400 . 7.500 4.254 3.378 6.281 . 0 0 "[ . 1 . 2 . 3]" 1
664 1 36 VAL MG2 1 41 PHE HB2 3.100 . 7.500 2.337 1.826 4.357 . 0 0 "[ . 1 . 2 . 3]" 1
665 1 36 VAL MG2 1 41 PHE HB3 3.400 . 6.400 3.431 2.914 5.156 . 0 0 "[ . 1 . 2 . 3]" 1
666 1 36 VAL MG2 1 41 PHE QD 3.100 . 7.800 2.758 1.976 4.643 . 0 0 "[ . 1 . 2 . 3]" 1
667 1 36 VAL MG2 1 41 PHE QE 4.300 . 10.500 3.774 3.075 5.113 . 0 0 "[ . 1 . 2 . 3]" 1
668 1 36 VAL MG2 1 41 PHE HZ 4.200 . 7.500 4.874 4.100 6.144 . 0 0 "[ . 1 . 2 . 3]" 1
669 1 37 ASN H 1 37 ASN QB 2.800 . 4.800 2.317 2.034 2.752 . 0 0 "[ . 1 . 2 . 3]" 1
670 1 37 ASN H 1 40 GLU QB 3.700 . 6.400 2.547 2.077 4.175 . 0 0 "[ . 1 . 2 . 3]" 1
671 1 37 ASN HA 1 37 ASN QB 2.400 . 4.100 2.370 2.204 2.535 . 0 0 "[ . 1 . 2 . 3]" 1
672 1 37 ASN HA 1 37 ASN HD21 4.600 . 6.000 4.266 3.998 4.501 . 0 0 "[ . 1 . 2 . 3]" 1
673 1 37 ASN HA 1 37 ASN HD22 5.000 . 6.000 4.681 4.204 5.280 . 0 0 "[ . 1 . 2 . 3]" 1
674 1 37 ASN HA 1 39 ALA H 3.600 . 5.200 4.815 4.201 5.198 . 0 0 "[ . 1 . 2 . 3]" 1
675 1 37 ASN HA 1 40 GLU H 4.700 . 6.000 5.006 4.531 5.779 . 0 0 "[ . 1 . 2 . 3]" 1
676 1 37 ASN QB 1 37 ASN HD21 3.000 . 5.100 2.249 2.202 2.312 . 0 0 "[ . 1 . 2 . 3]" 1
677 1 37 ASN QB 1 38 PHE H 4.000 . 7.000 2.862 1.985 4.054 . 0 0 "[ . 1 . 2 . 3]" 1
678 1 37 ASN QB 1 40 GLU H 3.300 . 5.700 3.123 2.295 4.506 . 0 0 "[ . 1 . 2 . 3]" 1
679 1 37 ASN QB 1 40 GLU QB 2.800 . 5.800 3.089 2.104 4.373 . 0 0 "[ . 1 . 2 . 3]" 1
680 1 37 ASN HD21 1 39 ALA MB 4.000 . 7.500 4.100 2.443 5.336 . 0 0 "[ . 1 . 2 . 3]" 1
681 1 37 ASN HD21 1 40 GLU QB 4.200 . 7.000 4.145 2.833 5.407 . 0 0 "[ . 1 . 2 . 3]" 1
682 1 37 ASN HD21 1 40 GLU HG2 4.500 . 6.000 4.603 3.229 6.001 0.001 23 0 "[ . 1 . 2 . 3]" 1
683 1 37 ASN HD21 1 40 GLU HG3 4.000 . 6.000 4.351 2.667 6.028 0.028 30 0 "[ . 1 . 2 . 3]" 1
684 1 37 ASN HD22 1 39 ALA MB 4.300 . 7.500 4.640 2.327 6.082 . 0 0 "[ . 1 . 2 . 3]" 1
685 1 37 ASN HD22 1 40 GLU QB 4.700 . 7.000 4.577 1.958 6.136 . 0 0 "[ . 1 . 2 . 3]" 1
686 1 37 ASN HD22 1 40 GLU HG2 5.100 . 6.000 5.221 3.537 6.005 0.005 9 0 "[ . 1 . 2 . 3]" 1
687 1 37 ASN HD22 1 40 GLU HG3 4.700 . 6.000 4.753 2.026 6.011 0.011 24 0 "[ . 1 . 2 . 3]" 1
688 1 38 PHE H 1 38 PHE HB2 3.200 . 4.500 2.719 2.329 3.688 . 0 0 "[ . 1 . 2 . 3]" 1
689 1 38 PHE H 1 38 PHE HB3 3.900 . 5.800 3.700 3.547 4.095 . 0 0 "[ . 1 . 2 . 3]" 1
690 1 38 PHE H 1 38 PHE QD 4.000 . 8.000 2.633 2.170 3.546 . 0 0 "[ . 1 . 2 . 3]" 1
691 1 38 PHE H 1 39 ALA H 3.100 . 4.300 3.026 2.393 4.170 . 0 0 "[ . 1 . 2 . 3]" 1
692 1 38 PHE HA 1 38 PHE HB2 2.800 . 3.800 3.031 3.023 3.038 . 0 0 "[ . 1 . 2 . 3]" 1
693 1 38 PHE HA 1 38 PHE HB3 2.500 . 3.300 2.483 2.408 2.541 . 0 0 "[ . 1 . 2 . 3]" 1
694 1 38 PHE HA 1 38 PHE QD 2.700 . 5.600 2.619 2.464 2.796 . 0 0 "[ . 1 . 2 . 3]" 1
695 1 38 PHE HA 1 41 PHE H 3.600 . 5.200 3.738 3.614 3.989 . 0 0 "[ . 1 . 2 . 3]" 1
696 1 38 PHE HA 1 41 PHE HB2 3.600 . 5.200 4.184 3.620 4.812 . 0 0 "[ . 1 . 2 . 3]" 1
697 1 38 PHE HA 1 41 PHE HB3 2.700 . 3.600 3.182 2.878 3.398 . 0 0 "[ . 1 . 2 . 3]" 1
698 1 38 PHE HA 1 41 PHE QE 4.800 . 9.000 6.581 5.944 6.884 . 0 0 "[ . 1 . 2 . 3]" 1
699 1 38 PHE HA 1 42 SER HB2 3.800 . 5.600 5.344 4.770 5.606 0.006 16 0 "[ . 1 . 2 . 3]" 1
700 1 38 PHE HA 1 42 SER HB3 2.800 . 6.000 3.680 3.066 4.638 . 0 0 "[ . 1 . 2 . 3]" 1
701 1 38 PHE HB2 1 38 PHE QD 2.800 . 5.800 2.363 2.328 2.406 . 0 0 "[ . 1 . 2 . 3]" 1
702 1 38 PHE HB2 1 39 ALA H 3.100 . 4.300 2.350 1.935 2.660 . 0 0 "[ . 1 . 2 . 3]" 1
703 1 38 PHE HB2 1 39 ALA HA 3.200 . 4.500 4.377 4.222 4.532 0.032 30 0 "[ . 1 . 2 . 3]" 1
704 1 38 PHE HB2 1 40 GLU H 4.900 . 6.000 4.898 4.213 5.158 . 0 0 "[ . 1 . 2 . 3]" 1
705 1 38 PHE HB2 1 42 SER HB2 2.400 . 6.000 6.105 6.057 6.124 0.124 15 0 "[ . 1 . 2 . 3]" 1
706 1 38 PHE HB2 1 42 SER HB3 3.400 . 6.000 4.783 4.688 5.307 . 0 0 "[ . 1 . 2 . 3]" 1
707 1 38 PHE HB3 1 38 PHE QD 2.500 . 5.300 2.493 2.427 2.569 . 0 0 "[ . 1 . 2 . 3]" 1
708 1 38 PHE HB3 1 39 ALA H 3.800 . 5.600 3.381 2.618 3.807 . 0 0 "[ . 1 . 2 . 3]" 1
709 1 38 PHE HB3 1 39 ALA HA 2.800 . 6.000 4.410 4.118 4.617 . 0 0 "[ . 1 . 2 . 3]" 1
710 1 38 PHE HB3 1 40 GLU H 5.000 . 6.000 5.666 4.962 6.009 0.009 24 0 "[ . 1 . 2 . 3]" 1
711 1 38 PHE HB3 1 42 SER HB3 2.700 . 6.000 3.570 3.367 4.784 . 0 0 "[ . 1 . 2 . 3]" 1
712 1 38 PHE QD 1 39 ALA H 5.000 . 8.000 3.966 3.737 4.196 . 0 0 "[ . 1 . 2 . 3]" 1
713 1 38 PHE QD 1 39 ALA MB 4.000 . 9.500 5.019 4.805 5.213 . 0 0 "[ . 1 . 2 . 3]" 1
714 1 39 ALA H 1 39 ALA HA 2.800 . 3.800 2.867 2.752 2.914 . 0 0 "[ . 1 . 2 . 3]" 1
715 1 39 ALA H 1 39 ALA MB 2.400 . 4.600 2.163 2.110 2.184 . 0 0 "[ . 1 . 2 . 3]" 1
716 1 39 ALA H 1 40 GLU H 2.700 . 3.600 2.758 2.562 3.113 . 0 0 "[ . 1 . 2 . 3]" 1
717 1 39 ALA H 1 40 GLU QB 4.600 . 7.000 4.528 4.247 5.029 . 0 0 "[ . 1 . 2 . 3]" 1
718 1 39 ALA HA 1 39 ALA MB 1.900 . 3.900 2.155 2.144 2.160 . 0 0 "[ . 1 . 2 . 3]" 1
719 1 39 ALA HA 1 40 GLU H 3.100 . 4.300 3.566 3.499 3.602 . 0 0 "[ . 1 . 2 . 3]" 1
720 1 39 ALA HA 1 41 PHE HA 3.300 . 6.000 6.194 6.163 6.231 0.231 24 0 "[ . 1 . 2 . 3]" 1
721 1 39 ALA HA 1 42 SER H 3.600 . 5.200 3.398 2.960 3.678 . 0 0 "[ . 1 . 2 . 3]" 1
722 1 39 ALA HA 1 42 SER HB2 4.300 . 6.000 4.102 3.438 4.369 . 0 0 "[ . 1 . 2 . 3]" 1
723 1 39 ALA HA 1 42 SER HB3 3.700 . 5.400 3.430 1.980 3.813 0.020 24 0 "[ . 1 . 2 . 3]" 1
724 1 39 ALA MB 1 40 GLU H 2.600 . 4.900 2.446 2.159 2.859 . 0 0 "[ . 1 . 2 . 3]" 1
725 1 39 ALA MB 1 41 PHE H 4.800 . 7.500 4.180 4.049 4.404 . 0 0 "[ . 1 . 2 . 3]" 1
726 1 39 ALA MB 1 42 SER H 4.600 . 7.500 4.637 4.168 4.869 . 0 0 "[ . 1 . 2 . 3]" 1
727 1 40 GLU H 1 40 GLU HA 2.600 . 3.500 2.864 2.822 2.926 . 0 0 "[ . 1 . 2 . 3]" 1
728 1 40 GLU H 1 40 GLU QB 2.300 . 3.900 2.222 1.993 2.488 . 0 0 "[ . 1 . 2 . 3]" 1
729 1 40 GLU H 1 40 GLU HG2 3.300 . 4.700 3.150 2.101 4.551 . 0 0 "[ . 1 . 2 . 3]" 1
730 1 40 GLU H 1 40 GLU HG3 3.400 . 4.800 3.328 2.148 4.364 . 0 0 "[ . 1 . 2 . 3]" 1
731 1 40 GLU H 1 41 PHE HB3 4.600 . 6.000 5.066 4.609 5.341 . 0 0 "[ . 1 . 2 . 3]" 1
732 1 40 GLU H 1 42 SER H 4.300 . 6.000 4.298 3.976 4.481 . 0 0 "[ . 1 . 2 . 3]" 1
733 1 40 GLU HA 1 40 GLU QB 2.400 . 4.100 2.435 2.203 2.537 . 0 0 "[ . 1 . 2 . 3]" 1
734 1 40 GLU HA 1 40 GLU HG2 2.900 . 3.900 2.767 2.185 3.942 0.042 24 0 "[ . 1 . 2 . 3]" 1
735 1 40 GLU HA 1 40 GLU HG3 3.300 . 4.600 3.120 2.130 3.728 . 0 0 "[ . 1 . 2 . 3]" 1
736 1 40 GLU HA 1 43 LYS HB2 2.700 . 3.600 3.658 3.626 3.697 0.097 9 0 "[ . 1 . 2 . 3]" 1
737 1 40 GLU QB 1 41 PHE H 3.000 . 5.100 3.034 2.848 3.589 . 0 0 "[ . 1 . 2 . 3]" 1
738 1 40 GLU QB 1 41 PHE HA 2.700 . 7.000 4.216 4.116 4.463 . 0 0 "[ . 1 . 2 . 3]" 1
739 1 40 GLU QB 1 42 SER H 4.900 . 7.000 4.932 4.626 5.084 . 0 0 "[ . 1 . 2 . 3]" 1
740 1 41 PHE H 1 41 PHE HA 2.900 . 3.900 2.977 2.949 2.985 . 0 0 "[ . 1 . 2 . 3]" 1
741 1 41 PHE H 1 41 PHE HB2 3.000 . 4.100 2.662 2.327 2.955 . 0 0 "[ . 1 . 2 . 3]" 1
742 1 41 PHE H 1 41 PHE HB3 2.700 . 3.600 2.626 2.482 2.771 . 0 0 "[ . 1 . 2 . 3]" 1
743 1 41 PHE H 1 41 PHE QD 4.500 . 8.000 4.224 4.064 4.279 . 0 0 "[ . 1 . 2 . 3]" 1
744 1 41 PHE H 1 42 SER H 2.900 . 4.000 2.144 2.009 2.275 . 0 0 "[ . 1 . 2 . 3]" 1
745 1 41 PHE HA 1 41 PHE QD 2.400 . 5.100 2.281 2.029 2.583 . 0 0 "[ . 1 . 2 . 3]" 1
746 1 41 PHE HA 1 41 PHE QE 4.300 . 9.000 4.290 4.146 4.514 . 0 0 "[ . 1 . 2 . 3]" 1
747 1 41 PHE HA 1 42 SER H 3.500 . 5.000 3.541 3.427 3.576 . 0 0 "[ . 1 . 2 . 3]" 1
748 1 41 PHE HB2 1 41 PHE QD 2.700 . 5.600 2.631 2.519 2.726 . 0 0 "[ . 1 . 2 . 3]" 1
749 1 41 PHE HB2 1 42 SER H 4.100 . 6.000 3.665 3.406 4.073 . 0 0 "[ . 1 . 2 . 3]" 1
750 1 41 PHE HB3 1 41 PHE QD 2.300 . 5.000 2.305 2.297 2.334 . 0 0 "[ . 1 . 2 . 3]" 1
751 1 41 PHE HB3 1 41 PHE QE 4.200 . 9.000 4.415 4.409 4.425 . 0 0 "[ . 1 . 2 . 3]" 1
752 1 41 PHE HB3 1 42 SER H 2.700 . 3.600 2.488 2.312 3.208 . 0 0 "[ . 1 . 2 . 3]" 1
753 1 41 PHE QD 1 42 SER H 4.000 . 8.000 3.969 3.469 4.675 . 0 0 "[ . 1 . 2 . 3]" 1
754 1 41 PHE QD 1 45 CYS HB3 4.000 . 8.000 4.786 3.146 5.704 . 0 0 "[ . 1 . 2 . 3]" 1
755 1 41 PHE QE 1 44 LYS QD 4.300 . 10.000 4.795 3.376 6.664 . 0 0 "[ . 1 . 2 . 3]" 1
756 1 41 PHE QE 1 44 LYS HG2 4.200 . 9.000 6.091 4.548 7.075 . 0 0 "[ . 1 . 2 . 3]" 1
757 1 41 PHE QE 1 44 LYS HG3 4.000 . 9.000 5.372 3.895 5.819 . 0 0 "[ . 1 . 2 . 3]" 1
758 1 41 PHE QE 1 45 CYS HB2 3.600 . 9.000 4.910 4.305 5.223 . 0 0 "[ . 1 . 2 . 3]" 1
759 1 41 PHE QE 1 45 CYS HB3 3.700 . 8.400 4.509 3.281 5.194 . 0 0 "[ . 1 . 2 . 3]" 1
760 1 41 PHE HZ 1 45 CYS HB2 4.200 . 6.000 6.013 6.003 6.026 0.026 30 0 "[ . 1 . 2 . 3]" 1
761 1 41 PHE HZ 1 45 CYS HB3 4.000 . 6.000 5.473 4.491 6.022 0.022 26 0 "[ . 1 . 2 . 3]" 1
762 1 42 SER H 1 42 SER HA 2.600 . 3.400 2.837 2.820 2.916 . 0 0 "[ . 1 . 2 . 3]" 1
763 1 42 SER H 1 42 SER HB2 3.300 . 4.700 3.494 3.262 3.526 . 0 0 "[ . 1 . 2 . 3]" 1
764 1 42 SER H 1 43 LYS H 2.800 . 3.800 2.710 2.392 2.783 . 0 0 "[ . 1 . 2 . 3]" 1
765 1 42 SER H 1 43 LYS HB2 4.800 . 6.000 4.430 4.084 4.525 . 0 0 "[ . 1 . 2 . 3]" 1
766 1 42 SER H 1 43 LYS HB3 4.800 . 6.000 5.973 5.641 6.023 0.023 19 0 "[ . 1 . 2 . 3]" 1
767 1 42 SER H 1 44 LYS H 4.200 . 6.000 4.225 3.869 4.340 . 0 0 "[ . 1 . 2 . 3]" 1
768 1 42 SER HA 1 42 SER HB2 2.000 . 2.500 2.409 2.244 2.453 . 0 0 "[ . 1 . 2 . 3]" 1
769 1 42 SER HA 1 42 SER HB3 2.000 . 2.500 2.552 2.505 2.800 0.300 24 0 "[ . 1 . 2 . 3]" 1
770 1 42 SER HA 1 43 LYS H 3.200 . 4.500 3.497 3.480 3.508 . 0 0 "[ . 1 . 2 . 3]" 1
771 1 42 SER HA 1 45 CYS H 3.100 . 4.300 3.600 3.239 4.067 . 0 0 "[ . 1 . 2 . 3]" 1
772 1 42 SER HA 1 46 SER H 4.000 . 6.000 4.244 3.594 4.792 . 0 0 "[ . 1 . 2 . 3]" 1
773 1 42 SER HB2 1 44 LYS H 4.200 . 6.000 5.717 5.573 5.909 . 0 0 "[ . 1 . 2 . 3]" 1
774 1 42 SER HB3 1 44 LYS H 4.500 . 6.000 5.678 5.218 5.816 . 0 0 "[ . 1 . 2 . 3]" 1
775 1 43 LYS H 1 43 LYS HA 2.800 . 3.800 2.918 2.881 2.953 . 0 0 "[ . 1 . 2 . 3]" 1
776 1 43 LYS H 1 43 LYS HB2 2.500 . 3.300 1.999 1.974 2.018 . 0 0 "[ . 1 . 2 . 3]" 1
777 1 43 LYS H 1 43 LYS HB3 2.500 . 3.300 3.331 3.047 3.361 0.061 9 0 "[ . 1 . 2 . 3]" 1
778 1 43 LYS H 1 43 LYS HD2 4.900 . 6.000 4.911 3.719 5.515 . 0 0 "[ . 1 . 2 . 3]" 1
779 1 43 LYS H 1 43 LYS HD3 4.900 . 6.000 4.613 3.182 5.522 . 0 0 "[ . 1 . 2 . 3]" 1
780 1 43 LYS H 1 43 LYS HG2 4.800 . 6.000 3.818 3.106 4.491 . 0 0 "[ . 1 . 2 . 3]" 1
781 1 43 LYS H 1 43 LYS HG3 4.800 . 6.000 3.448 3.013 4.323 . 0 0 "[ . 1 . 2 . 3]" 1
782 1 43 LYS H 1 44 LYS H 2.800 . 3.700 2.436 2.298 2.633 . 0 0 "[ . 1 . 2 . 3]" 1
783 1 43 LYS H 1 45 CYS H 3.800 . 5.700 4.107 3.910 4.670 . 0 0 "[ . 1 . 2 . 3]" 1
784 1 43 LYS H 1 46 SER H 4.100 . 6.000 4.924 4.713 5.116 . 0 0 "[ . 1 . 2 . 3]" 1
785 1 43 LYS HA 1 43 LYS HB2 2.400 . 3.100 2.955 2.795 2.972 . 0 0 "[ . 1 . 2 . 3]" 1
786 1 43 LYS HA 1 43 LYS HB3 2.800 . 3.800 2.754 2.720 2.938 . 0 0 "[ . 1 . 2 . 3]" 1
787 1 43 LYS HA 1 43 LYS HD3 2.700 . 6.000 3.869 2.182 4.552 . 0 0 "[ . 1 . 2 . 3]" 1
788 1 43 LYS HB2 1 43 LYS QE 3.100 . 5.300 3.383 2.136 4.427 . 0 0 "[ . 1 . 2 . 3]" 1
789 1 43 LYS HB2 1 43 LYS HG3 2.900 . 3.900 2.441 2.309 3.015 . 0 0 "[ . 1 . 2 . 3]" 1
790 1 43 LYS HB2 1 44 LYS H 3.400 . 4.900 3.063 2.937 3.411 . 0 0 "[ . 1 . 2 . 3]" 1
791 1 43 LYS HB2 1 45 CYS H 4.800 . 6.000 5.337 5.113 5.812 . 0 0 "[ . 1 . 2 . 3]" 1
792 1 43 LYS HB2 1 46 SER H 4.700 . 6.000 5.933 5.784 6.026 0.026 20 0 "[ . 1 . 2 . 3]" 1
793 1 43 LYS HB3 1 43 LYS QE 3.500 . 6.100 2.712 1.970 4.286 . 0 0 "[ . 1 . 2 . 3]" 1
794 1 43 LYS HB3 1 44 LYS H 2.500 . 6.000 3.364 2.962 3.502 . 0 0 "[ . 1 . 2 . 3]" 1
795 1 43 LYS HB3 1 45 CYS H 4.500 . 6.000 5.568 5.293 5.872 . 0 0 "[ . 1 . 2 . 3]" 1
796 1 43 LYS HB3 1 46 SER H 4.500 . 6.000 5.712 5.578 5.821 . 0 0 "[ . 1 . 2 . 3]" 1
797 1 43 LYS HB3 1 47 GLU HG2 2.400 . 6.000 5.821 5.306 6.005 0.005 27 0 "[ . 1 . 2 . 3]" 1
798 1 43 LYS QE 1 43 LYS HG2 2.900 . 4.900 2.583 2.042 3.430 . 0 0 "[ . 1 . 2 . 3]" 1
799 1 43 LYS QE 1 43 LYS HG3 2.900 . 5.000 2.881 2.030 3.443 . 0 0 "[ . 1 . 2 . 3]" 1
800 1 43 LYS QE 1 44 LYS H 4.500 . 7.000 5.427 4.504 6.273 . 0 0 "[ . 1 . 2 . 3]" 1
801 1 44 LYS H 1 44 LYS QB 2.300 . 4.000 2.170 2.052 2.233 . 0 0 "[ . 1 . 2 . 3]" 1
802 1 44 LYS H 1 44 LYS QD 4.500 . 7.000 4.250 3.861 4.495 . 0 0 "[ . 1 . 2 . 3]" 1
803 1 44 LYS H 1 45 CYS H 2.600 . 3.400 2.431 2.311 2.585 . 0 0 "[ . 1 . 2 . 3]" 1
804 1 44 LYS H 1 45 CYS HB2 4.800 . 6.000 4.985 4.128 6.005 0.005 24 0 "[ . 1 . 2 . 3]" 1
805 1 44 LYS H 1 45 CYS HB3 5.600 . 6.000 5.346 4.689 5.857 . 0 0 "[ . 1 . 2 . 3]" 1
806 1 44 LYS H 1 46 SER H 3.800 . 5.600 3.860 3.681 4.016 . 0 0 "[ . 1 . 2 . 3]" 1
807 1 44 LYS HA 1 44 LYS QB 2.600 . 4.400 2.466 2.403 2.538 . 0 0 "[ . 1 . 2 . 3]" 1
808 1 44 LYS HA 1 44 LYS HG2 2.700 . 3.600 2.506 2.056 3.658 0.058 23 0 "[ . 1 . 2 . 3]" 1
809 1 44 LYS HA 1 44 LYS HG3 2.500 . 6.000 3.289 2.603 3.586 . 0 0 "[ . 1 . 2 . 3]" 1
810 1 44 LYS QB 1 45 CYS H 2.600 . 4.400 2.468 2.218 2.654 . 0 0 "[ . 1 . 2 . 3]" 1
811 1 44 LYS QB 1 46 SER H 4.700 . 7.000 4.509 4.343 4.620 . 0 0 "[ . 1 . 2 . 3]" 1
812 1 44 LYS QD 1 48 ARG H 3.500 . 6.000 4.497 3.941 5.405 . 0 0 "[ . 1 . 2 . 3]" 1
813 1 44 LYS HG2 1 45 CYS H 4.600 . 6.000 4.720 4.455 4.988 . 0 0 "[ . 1 . 2 . 3]" 1
814 1 44 LYS HG3 1 45 CYS H 4.200 . 6.000 4.796 3.804 5.194 . 0 0 "[ . 1 . 2 . 3]" 1
815 1 45 CYS H 1 45 CYS HA 2.600 . 3.500 2.851 2.838 2.868 . 0 0 "[ . 1 . 2 . 3]" 1
816 1 45 CYS H 1 45 CYS HB3 3.200 . 4.500 3.053 2.429 3.531 . 0 0 "[ . 1 . 2 . 3]" 1
817 1 45 CYS H 1 46 SER H 2.600 . 3.500 2.696 2.641 2.741 . 0 0 "[ . 1 . 2 . 3]" 1
818 1 45 CYS H 1 48 ARG QB 3.500 . 6.100 5.280 4.979 5.497 . 0 0 "[ . 1 . 2 . 3]" 1
819 1 45 CYS HA 1 45 CYS HB3 2.800 . 3.800 2.539 2.464 2.648 . 0 0 "[ . 1 . 2 . 3]" 1
820 1 45 CYS HA 1 48 ARG QB 2.900 . 5.000 3.004 2.656 3.324 . 0 0 "[ . 1 . 2 . 3]" 1
821 1 45 CYS HB2 1 46 SER H 2.900 . 3.900 3.299 2.791 3.910 0.010 23 0 "[ . 1 . 2 . 3]" 1
822 1 45 CYS HB3 1 46 SER H 3.700 . 5.400 3.814 3.566 4.038 . 0 0 "[ . 1 . 2 . 3]" 1
823 1 46 SER H 1 46 SER HA 2.600 . 3.500 2.886 2.857 2.911 . 0 0 "[ . 1 . 2 . 3]" 1
824 1 46 SER H 1 46 SER HB2 3.000 . 4.100 3.433 1.974 3.541 . 0 0 "[ . 1 . 2 . 3]" 1
825 1 46 SER H 1 46 SER HB3 2.300 . 6.000 2.540 2.333 3.191 . 0 0 "[ . 1 . 2 . 3]" 1
826 1 46 SER H 1 47 GLU QB 4.500 . 7.000 4.369 4.182 4.581 . 0 0 "[ . 1 . 2 . 3]" 1
827 1 46 SER HA 1 46 SER HB2 2.100 . 2.700 2.508 2.427 2.838 0.138 7 0 "[ . 1 . 2 . 3]" 1
828 1 46 SER HA 1 46 SER HB3 2.100 . 2.700 2.494 2.401 2.860 0.160 15 0 "[ . 1 . 2 . 3]" 1
829 1 46 SER HA 1 47 GLU H 3.500 . 5.000 3.542 3.519 3.563 . 0 0 "[ . 1 . 2 . 3]" 1
830 1 46 SER HA 1 47 GLU QB 3.800 . 6.600 5.299 5.222 5.401 . 0 0 "[ . 1 . 2 . 3]" 1
831 1 46 SER HA 1 49 TRP H 3.700 . 5.400 3.354 3.075 3.613 . 0 0 "[ . 1 . 2 . 3]" 1
832 1 46 SER HA 1 49 TRP HB2 3.800 . 5.600 3.440 3.192 3.783 . 0 0 "[ . 1 . 2 . 3]" 1
833 1 46 SER HA 1 49 TRP HD1 3.600 . 5.200 3.797 3.457 4.083 . 0 0 "[ . 1 . 2 . 3]" 1
834 1 46 SER HA 1 50 LYS H 4.400 . 6.000 3.506 3.317 3.802 . 0 0 "[ . 1 . 2 . 3]" 1
835 1 46 SER HA 1 50 LYS HB3 3.700 . 6.000 6.011 5.998 6.026 0.026 26 0 "[ . 1 . 2 . 3]" 1
836 1 46 SER HB2 1 47 GLU H 3.400 . 4.900 3.712 3.187 3.870 . 0 0 "[ . 1 . 2 . 3]" 1
837 1 46 SER HB2 1 49 TRP HD1 4.200 . 6.000 5.282 4.843 6.011 0.011 15 0 "[ . 1 . 2 . 3]" 1
838 1 46 SER HB3 1 47 GLU H 3.400 . 4.800 3.854 2.956 4.006 . 0 0 "[ . 1 . 2 . 3]" 1
839 1 46 SER HB3 1 49 TRP HD1 4.700 . 6.000 5.602 5.313 5.936 . 0 0 "[ . 1 . 2 . 3]" 1
840 1 47 GLU H 1 47 GLU HA 2.600 . 3.400 2.877 2.847 2.907 . 0 0 "[ . 1 . 2 . 3]" 1
841 1 47 GLU H 1 47 GLU QB 2.700 . 4.600 2.170 2.077 2.376 . 0 0 "[ . 1 . 2 . 3]" 1
842 1 47 GLU H 1 47 GLU HG2 3.700 . 5.400 2.749 2.492 3.123 . 0 0 "[ . 1 . 2 . 3]" 1
843 1 47 GLU H 1 47 GLU HG3 4.200 . 6.000 3.270 2.150 3.740 . 0 0 "[ . 1 . 2 . 3]" 1
844 1 47 GLU H 1 48 ARG H 2.500 . 3.300 2.613 2.505 2.706 . 0 0 "[ . 1 . 2 . 3]" 1
845 1 47 GLU HA 1 47 GLU HG2 2.300 . 3.000 2.489 2.244 2.717 . 0 0 "[ . 1 . 2 . 3]" 1
846 1 47 GLU HA 1 47 GLU HG3 2.700 . 3.600 3.527 3.207 3.618 0.018 27 0 "[ . 1 . 2 . 3]" 1
847 1 47 GLU HA 1 48 ARG H 2.700 . 3.600 3.529 3.505 3.565 . 0 0 "[ . 1 . 2 . 3]" 1
848 1 47 GLU QB 1 50 LYS H 4.600 . 7.000 5.338 5.038 5.555 . 0 0 "[ . 1 . 2 . 3]" 1
849 1 47 GLU HG2 1 48 ARG H 4.300 . 6.000 4.696 4.586 4.920 . 0 0 "[ . 1 . 2 . 3]" 1
850 1 47 GLU HG3 1 48 ARG H 4.800 . 6.000 4.934 4.294 5.255 . 0 0 "[ . 1 . 2 . 3]" 1
851 1 48 ARG H 1 48 ARG HA 2.500 . 3.300 2.960 2.926 2.985 . 0 0 "[ . 1 . 2 . 3]" 1
852 1 48 ARG H 1 48 ARG QB 2.200 . 3.800 2.192 2.008 2.282 . 0 0 "[ . 1 . 2 . 3]" 1
853 1 48 ARG H 1 48 ARG QD 4.300 . 7.000 4.386 4.030 4.663 . 0 0 "[ . 1 . 2 . 3]" 1
854 1 48 ARG H 1 49 TRP HB3 4.700 . 6.000 4.404 4.216 4.558 . 0 0 "[ . 1 . 2 . 3]" 1
855 1 48 ARG H 1 50 LYS H 3.700 . 5.400 3.970 3.690 4.243 . 0 0 "[ . 1 . 2 . 3]" 1
856 1 48 ARG H 1 51 THR H 3.700 . 5.400 4.661 4.583 4.830 . 0 0 "[ . 1 . 2 . 3]" 1
857 1 48 ARG H 1 52 MET H 3.400 . 6.000 5.873 5.653 6.012 0.012 14 0 "[ . 1 . 2 . 3]" 1
858 1 48 ARG HA 1 48 ARG QB 2.400 . 4.100 2.465 2.406 2.554 . 0 0 "[ . 1 . 2 . 3]" 1
859 1 48 ARG HA 1 48 ARG QD 3.400 . 5.900 3.535 2.051 4.156 . 0 0 "[ . 1 . 2 . 3]" 1
860 1 48 ARG HA 1 48 ARG QG 2.500 . 4.300 2.278 2.101 2.644 . 0 0 "[ . 1 . 2 . 3]" 1
861 1 48 ARG HA 1 49 TRP H 3.700 . 5.400 3.553 3.516 3.578 . 0 0 "[ . 1 . 2 . 3]" 1
862 1 48 ARG HA 1 51 THR H 3.900 . 5.800 3.449 3.275 3.634 . 0 0 "[ . 1 . 2 . 3]" 1
863 1 48 ARG HA 1 51 THR MG 3.200 . 6.000 3.391 1.906 3.874 . 0 0 "[ . 1 . 2 . 3]" 1
864 1 48 ARG QB 1 48 ARG QD 2.900 . 5.900 2.185 2.075 2.306 . 0 0 "[ . 1 . 2 . 3]" 1
865 1 48 ARG QB 1 49 TRP H 3.200 . 5.400 2.553 2.342 2.879 . 0 0 "[ . 1 . 2 . 3]" 1
866 1 48 ARG QD 1 48 ARG QG 2.300 . 5.000 2.090 2.045 2.114 . 0 0 "[ . 1 . 2 . 3]" 1
867 1 49 TRP H 1 49 TRP HB2 3.000 . 4.100 2.445 2.363 2.512 . 0 0 "[ . 1 . 2 . 3]" 1
868 1 49 TRP HA 1 49 TRP HB2 2.700 . 3.600 2.482 2.448 2.514 . 0 0 "[ . 1 . 2 . 3]" 1
869 1 49 TRP HA 1 49 TRP HD1 3.800 . 5.600 4.487 4.342 4.604 . 0 0 "[ . 1 . 2 . 3]" 1
870 1 49 TRP HA 1 49 TRP HE3 2.800 . 3.800 2.421 2.228 2.701 . 0 0 "[ . 1 . 2 . 3]" 1
871 1 49 TRP HA 1 49 TRP HZ3 4.400 . 6.000 4.640 4.468 4.857 . 0 0 "[ . 1 . 2 . 3]" 1
872 1 49 TRP HA 1 50 LYS H 3.700 . 5.400 3.562 3.517 3.587 . 0 0 "[ . 1 . 2 . 3]" 1
873 1 49 TRP HB2 1 49 TRP HD1 3.500 . 5.100 3.646 3.589 3.719 . 0 0 "[ . 1 . 2 . 3]" 1
874 1 49 TRP HB2 1 50 LYS H 4.000 . 6.000 3.814 3.685 3.959 . 0 0 "[ . 1 . 2 . 3]" 1
875 1 49 TRP HB3 1 50 LYS H 3.100 . 4.300 2.490 2.234 2.796 . 0 0 "[ . 1 . 2 . 3]" 1
876 1 49 TRP HD1 1 50 LYS H 4.100 . 6.000 3.898 3.299 4.329 . 0 0 "[ . 1 . 2 . 3]" 1
877 1 49 TRP HD1 1 50 LYS HA 3.000 . 4.100 3.991 3.548 4.106 0.006 15 0 "[ . 1 . 2 . 3]" 1
878 1 49 TRP HD1 1 50 LYS HB3 4.200 . 6.000 5.793 5.324 6.006 0.006 13 0 "[ . 1 . 2 . 3]" 1
879 1 49 TRP HD1 1 50 LYS QD 3.800 . 6.600 4.115 2.974 4.664 . 0 0 "[ . 1 . 2 . 3]" 1
880 1 49 TRP HE1 1 50 LYS QD 3.800 . 7.000 5.867 5.246 6.241 . 0 0 "[ . 1 . 2 . 3]" 1
881 1 49 TRP HE1 1 57 LYS QD 3.800 . 6.600 4.675 3.490 5.711 . 0 0 "[ . 1 . 2 . 3]" 1
882 1 49 TRP HE3 1 52 MET HB2 4.000 . 6.000 4.030 3.628 4.528 . 0 0 "[ . 1 . 2 . 3]" 1
883 1 49 TRP HE3 1 52 MET HB3 4.500 . 6.000 4.630 3.955 5.304 . 0 0 "[ . 1 . 2 . 3]" 1
884 1 49 TRP HE3 1 52 MET QG 4.600 . 7.000 3.678 2.742 5.138 . 0 0 "[ . 1 . 2 . 3]" 1
885 1 49 TRP HE3 1 57 LYS QD 4.500 . 7.000 4.793 3.592 5.768 . 0 0 "[ . 1 . 2 . 3]" 1
886 1 49 TRP HE3 1 60 PHE QE 5.200 . 9.000 4.996 4.559 5.583 . 0 0 "[ . 1 . 2 . 3]" 1
887 1 49 TRP HH2 1 52 MET ME 4.700 . 7.500 4.681 4.046 5.246 . 0 0 "[ . 1 . 2 . 3]" 1
888 1 49 TRP HH2 1 60 PHE QB 3.100 . 5.300 1.977 1.848 2.318 . 0 0 "[ . 1 . 2 . 3]" 1
889 1 49 TRP HH2 1 60 PHE QE 4.600 . 9.000 5.442 4.712 5.911 . 0 0 "[ . 1 . 2 . 3]" 1
890 1 49 TRP HZ2 1 52 MET ME 4.100 . 7.500 5.940 4.796 6.182 . 0 0 "[ . 1 . 2 . 3]" 1
891 1 49 TRP HZ2 1 57 LYS QD 3.700 . 6.400 4.154 2.909 5.478 . 0 0 "[ . 1 . 2 . 3]" 1
892 1 49 TRP HZ2 1 61 GLU H 4.400 . 6.000 5.605 5.189 6.001 0.001 13 0 "[ . 1 . 2 . 3]" 1
893 1 49 TRP HZ3 1 52 MET HB2 4.300 . 6.000 5.189 4.786 5.775 . 0 0 "[ . 1 . 2 . 3]" 1
894 1 49 TRP HZ3 1 52 MET HB3 4.400 . 6.000 5.089 4.607 5.870 . 0 0 "[ . 1 . 2 . 3]" 1
895 1 49 TRP HZ3 1 52 MET ME 4.100 . 7.500 2.921 2.250 5.511 . 0 0 "[ . 1 . 2 . 3]" 1
896 1 49 TRP HZ3 1 57 LYS QD 4.800 . 7.000 4.805 3.760 5.612 . 0 0 "[ . 1 . 2 . 3]" 1
897 1 49 TRP HZ3 1 57 LYS HG2 3.700 . 5.400 3.636 2.588 5.403 0.003 22 0 "[ . 1 . 2 . 3]" 1
898 1 49 TRP HZ3 1 60 PHE HA 4.600 . 6.000 5.392 4.928 5.978 . 0 0 "[ . 1 . 2 . 3]" 1
899 1 50 LYS H 1 50 LYS HA 2.700 . 3.600 2.892 2.850 2.938 . 0 0 "[ . 1 . 2 . 3]" 1
900 1 50 LYS H 1 50 LYS HB2 2.600 . 3.500 2.114 1.996 2.320 . 0 0 "[ . 1 . 2 . 3]" 1
901 1 50 LYS H 1 50 LYS HB3 3.000 . 4.200 3.459 3.344 3.526 . 0 0 "[ . 1 . 2 . 3]" 1
902 1 50 LYS H 1 50 LYS HG2 4.400 . 6.000 3.506 2.616 4.323 . 0 0 "[ . 1 . 2 . 3]" 1
903 1 50 LYS H 1 50 LYS HG3 3.400 . 4.800 3.137 2.144 3.751 . 0 0 "[ . 1 . 2 . 3]" 1
904 1 50 LYS H 1 51 THR MG 4.500 . 7.500 3.977 3.555 4.192 . 0 0 "[ . 1 . 2 . 3]" 1
905 1 50 LYS HA 1 50 LYS HB2 2.700 . 3.600 2.998 2.949 3.033 . 0 0 "[ . 1 . 2 . 3]" 1
906 1 50 LYS HA 1 50 LYS HB3 2.200 . 2.800 2.654 2.531 2.763 . 0 0 "[ . 1 . 2 . 3]" 1
907 1 50 LYS HA 1 50 LYS HG2 2.500 . 3.300 2.595 2.158 3.326 0.026 13 0 "[ . 1 . 2 . 3]" 1
908 1 50 LYS HA 1 50 LYS HG3 2.700 . 3.600 2.895 2.003 3.623 0.023 3 0 "[ . 1 . 2 . 3]" 1
909 1 50 LYS HA 1 51 THR H 3.600 . 5.200 3.514 3.472 3.521 . 0 0 "[ . 1 . 2 . 3]" 1
910 1 50 LYS HA 1 52 MET H 4.300 . 6.000 4.283 4.045 4.478 . 0 0 "[ . 1 . 2 . 3]" 1
911 1 50 LYS HB2 1 51 THR H 3.800 . 5.600 2.983 2.867 3.153 . 0 0 "[ . 1 . 2 . 3]" 1
912 1 50 LYS HB2 1 51 THR MG 3.000 . 5.600 3.286 2.843 3.896 . 0 0 "[ . 1 . 2 . 3]" 1
913 1 50 LYS HB3 1 51 THR H 3.700 . 5.400 3.602 3.412 3.918 . 0 0 "[ . 1 . 2 . 3]" 1
914 1 50 LYS HB3 1 52 MET H 4.700 . 6.000 5.422 5.253 5.590 . 0 0 "[ . 1 . 2 . 3]" 1
915 1 51 THR H 1 51 THR MG 3.200 . 6.000 2.345 1.926 2.520 . 0 0 "[ . 1 . 2 . 3]" 1
916 1 51 THR H 1 52 MET HB2 4.700 . 6.000 4.234 3.999 5.649 . 0 0 "[ . 1 . 2 . 3]" 1
917 1 51 THR H 1 52 MET HB3 5.300 . 6.000 5.656 4.215 5.860 . 0 0 "[ . 1 . 2 . 3]" 1
918 1 51 THR H 1 52 MET QG 4.900 . 7.000 4.234 3.784 5.816 . 0 0 "[ . 1 . 2 . 3]" 1
919 1 51 THR HA 1 51 THR MG 2.100 . 4.200 2.402 2.267 3.210 . 0 0 "[ . 1 . 2 . 3]" 1
920 1 51 THR HA 1 52 MET H 3.400 . 4.900 3.473 3.312 3.525 . 0 0 "[ . 1 . 2 . 3]" 1
921 1 51 THR HB 1 51 THR MG 2.100 . 4.200 2.146 2.139 2.148 . 0 0 "[ . 1 . 2 . 3]" 1
922 1 52 MET H 1 52 MET HB2 2.600 . 3.500 2.195 2.012 3.534 0.034 13 0 "[ . 1 . 2 . 3]" 1
923 1 52 MET H 1 52 MET HB3 3.500 . 5.000 3.420 2.452 3.533 . 0 0 "[ . 1 . 2 . 3]" 1
924 1 52 MET H 1 52 MET QG 3.100 . 5.300 2.631 1.965 3.901 . 0 0 "[ . 1 . 2 . 3]" 1
925 1 52 MET H 1 53 SER H 5.000 . 6.000 4.682 4.550 4.704 . 0 0 "[ . 1 . 2 . 3]" 1
926 1 52 MET H 1 57 LYS QD 4.300 . 7.000 4.571 3.109 6.262 . 0 0 "[ . 1 . 2 . 3]" 1
927 1 52 MET HA 1 52 MET HB2 2.800 . 3.800 2.969 2.485 3.033 . 0 0 "[ . 1 . 2 . 3]" 1
928 1 52 MET HA 1 52 MET HB3 2.500 . 3.300 2.661 2.464 3.011 . 0 0 "[ . 1 . 2 . 3]" 1
929 1 52 MET HA 1 52 MET QG 2.600 . 4.400 2.297 2.069 3.390 . 0 0 "[ . 1 . 2 . 3]" 1
930 1 52 MET HA 1 53 SER H 2.300 . 2.900 2.372 2.211 2.728 . 0 0 "[ . 1 . 2 . 3]" 1
931 1 52 MET HA 1 56 GLU H 4.900 . 6.000 5.694 5.217 6.006 0.006 26 0 "[ . 1 . 2 . 3]" 1
932 1 52 MET HB2 1 53 SER H 4.300 . 6.000 4.020 2.062 4.369 . 0 0 "[ . 1 . 2 . 3]" 1
933 1 52 MET HB2 1 56 GLU HB2 3.800 . 5.600 4.635 2.742 5.083 . 0 0 "[ . 1 . 2 . 3]" 1
934 1 52 MET HB2 1 56 GLU HB3 4.300 . 6.000 5.067 3.267 5.502 . 0 0 "[ . 1 . 2 . 3]" 1
935 1 52 MET HB2 1 57 LYS H 3.500 . 5.000 4.963 4.503 5.018 0.018 23 0 "[ . 1 . 2 . 3]" 1
936 1 52 MET HB3 1 53 SER H 3.100 . 4.300 2.908 2.496 3.630 . 0 0 "[ . 1 . 2 . 3]" 1
937 1 52 MET ME 1 57 LYS H 4.000 . 7.500 3.468 2.861 4.484 . 0 0 "[ . 1 . 2 . 3]" 1
938 1 52 MET ME 1 58 SER H 5.200 . 7.500 5.043 4.247 6.184 . 0 0 "[ . 1 . 2 . 3]" 1
939 1 52 MET QG 1 53 SER H 4.300 . 7.000 3.844 2.315 4.328 . 0 0 "[ . 1 . 2 . 3]" 1
940 1 53 SER H 1 53 SER HA 2.700 . 3.600 2.970 2.879 3.001 . 0 0 "[ . 1 . 2 . 3]" 1
941 1 53 SER H 1 53 SER QB 2.900 . 5.000 2.390 2.186 2.814 . 0 0 "[ . 1 . 2 . 3]" 1
942 1 53 SER H 1 55 LYS H 4.500 . 6.000 4.593 4.072 5.151 . 0 0 "[ . 1 . 2 . 3]" 1
943 1 53 SER H 1 56 GLU H 4.000 . 6.000 3.629 3.226 4.091 . 0 0 "[ . 1 . 2 . 3]" 1
944 1 53 SER H 1 56 GLU HB2 3.200 . 4.500 2.714 2.079 3.349 . 0 0 "[ . 1 . 2 . 3]" 1
945 1 53 SER H 1 56 GLU HB3 4.100 . 6.000 4.203 3.500 5.005 . 0 0 "[ . 1 . 2 . 3]" 1
946 1 53 SER H 1 56 GLU HG2 3.700 . 5.400 5.173 4.353 5.403 0.003 9 0 "[ . 1 . 2 . 3]" 1
947 1 53 SER H 1 56 GLU HG3 3.500 . 5.000 3.839 3.034 4.143 . 0 0 "[ . 1 . 2 . 3]" 1
948 1 53 SER HA 1 53 SER QB 2.100 . 3.700 2.363 2.203 2.439 . 0 0 "[ . 1 . 2 . 3]" 1
949 1 53 SER HA 1 54 ALA H 2.200 . 2.800 2.533 2.317 2.769 . 0 0 "[ . 1 . 2 . 3]" 1
950 1 53 SER HA 1 55 LYS H 3.200 . 4.500 4.234 4.032 4.384 . 0 0 "[ . 1 . 2 . 3]" 1
951 1 53 SER HA 1 56 GLU H 4.000 . 6.000 4.778 4.462 5.125 . 0 0 "[ . 1 . 2 . 3]" 1
952 1 53 SER QB 1 54 ALA H 3.300 . 5.700 2.577 2.014 3.312 . 0 0 "[ . 1 . 2 . 3]" 1
953 1 54 ALA H 1 54 ALA HA 2.700 . 3.600 2.874 2.797 2.915 . 0 0 "[ . 1 . 2 . 3]" 1
954 1 54 ALA H 1 54 ALA MB 2.300 . 4.400 2.156 2.134 2.171 . 0 0 "[ . 1 . 2 . 3]" 1
955 1 54 ALA H 1 55 LYS H 2.700 . 3.600 2.645 2.540 2.849 . 0 0 "[ . 1 . 2 . 3]" 1
956 1 54 ALA H 1 57 LYS HB3 5.800 . 6.000 6.011 6.004 6.052 0.052 13 0 "[ . 1 . 2 . 3]" 1
957 1 54 ALA HA 1 54 ALA MB 2.000 . 4.000 2.154 2.151 2.156 . 0 0 "[ . 1 . 2 . 3]" 1
958 1 54 ALA HA 1 55 LYS H 3.300 . 4.600 3.499 3.423 3.531 . 0 0 "[ . 1 . 2 . 3]" 1
959 1 54 ALA HA 1 56 GLU H 4.000 . 6.000 4.078 4.007 4.226 . 0 0 "[ . 1 . 2 . 3]" 1
960 1 54 ALA HA 1 57 LYS H 3.400 . 4.800 3.390 3.219 3.707 . 0 0 "[ . 1 . 2 . 3]" 1
961 1 54 ALA HA 1 57 LYS HB3 3.800 . 5.600 3.716 3.362 4.601 . 0 0 "[ . 1 . 2 . 3]" 1
962 1 54 ALA HA 1 57 LYS HG2 4.300 . 6.000 4.709 1.992 5.751 0.008 13 0 "[ . 1 . 2 . 3]" 1
963 1 54 ALA HA 1 58 SER H 3.700 . 5.500 3.802 3.293 4.894 . 0 0 "[ . 1 . 2 . 3]" 1
964 1 54 ALA MB 1 56 GLU H 4.000 . 7.500 4.523 4.427 4.656 . 0 0 "[ . 1 . 2 . 3]" 1
965 1 54 ALA MB 1 58 SER H 4.100 . 7.500 4.620 4.179 5.507 . 0 0 "[ . 1 . 2 . 3]" 1
966 1 54 ALA MB 1 58 SER HB2 2.700 . 7.500 5.335 4.913 5.773 . 0 0 "[ . 1 . 2 . 3]" 1
967 1 54 ALA MB 1 58 SER HB3 2.900 . 5.500 3.902 3.423 4.471 . 0 0 "[ . 1 . 2 . 3]" 1
968 1 55 LYS H 1 55 LYS HA 2.400 . 3.100 2.897 2.884 2.919 . 0 0 "[ . 1 . 2 . 3]" 1
969 1 55 LYS H 1 55 LYS HB2 2.400 . 6.000 2.195 2.115 2.286 . 0 0 "[ . 1 . 2 . 3]" 1
970 1 55 LYS H 1 55 LYS HB3 3.100 . 4.300 3.500 3.467 3.525 . 0 0 "[ . 1 . 2 . 3]" 1
971 1 55 LYS H 1 55 LYS QG 2.400 . 4.100 2.466 2.262 2.727 . 0 0 "[ . 1 . 2 . 3]" 1
972 1 55 LYS H 1 56 GLU H 2.600 . 3.400 2.534 2.469 2.573 . 0 0 "[ . 1 . 2 . 3]" 1
973 1 55 LYS H 1 56 GLU HB2 4.500 . 6.000 4.502 4.403 4.595 . 0 0 "[ . 1 . 2 . 3]" 1
974 1 55 LYS H 1 56 GLU HB3 5.200 . 6.000 6.017 5.933 6.031 0.031 25 0 "[ . 1 . 2 . 3]" 1
975 1 55 LYS H 1 56 GLU HG2 4.300 . 6.000 5.813 5.269 6.003 0.003 12 0 "[ . 1 . 2 . 3]" 1
976 1 55 LYS H 1 56 GLU HG3 4.700 . 6.000 4.540 4.044 4.761 . 0 0 "[ . 1 . 2 . 3]" 1
977 1 55 LYS H 1 57 LYS H 3.500 . 5.100 4.031 3.810 4.391 . 0 0 "[ . 1 . 2 . 3]" 1
978 1 55 LYS HA 1 55 LYS HB2 2.700 . 3.600 3.021 3.003 3.034 . 0 0 "[ . 1 . 2 . 3]" 1
979 1 55 LYS HA 1 55 LYS HB3 2.400 . 3.100 2.597 2.546 2.655 . 0 0 "[ . 1 . 2 . 3]" 1
980 1 55 LYS HB2 1 56 GLU H 2.900 . 3.900 2.833 2.753 2.985 . 0 0 "[ . 1 . 2 . 3]" 1
981 1 55 LYS HB3 1 56 GLU H 3.700 . 5.400 3.641 3.505 3.739 . 0 0 "[ . 1 . 2 . 3]" 1
982 1 55 LYS QG 1 57 LYS H 4.700 . 7.000 5.834 5.595 6.191 . 0 0 "[ . 1 . 2 . 3]" 1
983 1 56 GLU H 1 56 GLU HA 2.600 . 3.400 2.971 2.933 2.989 . 0 0 "[ . 1 . 2 . 3]" 1
984 1 56 GLU H 1 56 GLU HB2 2.700 . 3.600 2.219 2.155 2.336 . 0 0 "[ . 1 . 2 . 3]" 1
985 1 56 GLU H 1 56 GLU HB3 3.600 . 5.200 3.527 3.493 3.593 . 0 0 "[ . 1 . 2 . 3]" 1
986 1 56 GLU H 1 56 GLU HG2 4.000 . 6.000 3.687 3.295 3.924 . 0 0 "[ . 1 . 2 . 3]" 1
987 1 56 GLU H 1 56 GLU HG3 4.700 . 6.000 2.775 2.321 2.969 . 0 0 "[ . 1 . 2 . 3]" 1
988 1 56 GLU H 1 57 LYS H 2.600 . 3.400 2.265 2.095 2.577 . 0 0 "[ . 1 . 2 . 3]" 1
989 1 56 GLU HA 1 56 GLU HB2 2.600 . 3.400 3.022 3.010 3.036 . 0 0 "[ . 1 . 2 . 3]" 1
990 1 56 GLU HA 1 56 GLU HB3 2.300 . 3.000 2.582 2.500 2.622 . 0 0 "[ . 1 . 2 . 3]" 1
991 1 56 GLU HB2 1 57 LYS H 3.000 . 4.100 2.610 2.284 2.923 . 0 0 "[ . 1 . 2 . 3]" 1
992 1 56 GLU HB2 1 58 SER H 4.600 . 6.000 4.824 4.570 5.072 . 0 0 "[ . 1 . 2 . 3]" 1
993 1 56 GLU HB3 1 57 LYS H 3.900 . 5.800 3.457 3.100 3.756 . 0 0 "[ . 1 . 2 . 3]" 1
994 1 56 GLU HB3 1 58 SER H 4.700 . 6.000 5.178 5.020 5.455 . 0 0 "[ . 1 . 2 . 3]" 1
995 1 56 GLU HG2 1 57 LYS H 4.900 . 6.000 4.889 4.755 5.094 . 0 0 "[ . 1 . 2 . 3]" 1
996 1 56 GLU HG2 1 58 SER H 5.000 . 6.000 5.999 5.883 6.013 0.013 9 0 "[ . 1 . 2 . 3]" 1
997 1 56 GLU HG3 1 57 LYS H 5.000 . 6.000 4.454 4.192 4.549 . 0 0 "[ . 1 . 2 . 3]" 1
998 1 56 GLU HG3 1 58 SER H 5.300 . 6.000 5.995 5.715 6.013 0.013 25 0 "[ . 1 . 2 . 3]" 1
999 1 57 LYS H 1 57 LYS HA 2.800 . 3.800 2.894 2.833 2.973 . 0 0 "[ . 1 . 2 . 3]" 1
1000 1 57 LYS H 1 57 LYS HB2 2.700 . 3.600 2.376 1.991 3.616 0.016 17 0 "[ . 1 . 2 . 3]" 1
1001 1 57 LYS H 1 57 LYS HG2 4.400 . 6.000 3.529 1.973 4.157 . 0 0 "[ . 1 . 2 . 3]" 1
1002 1 57 LYS H 1 57 LYS HG3 2.500 . 3.300 2.808 1.997 3.177 . 0 0 "[ . 1 . 2 . 3]" 1
1003 1 57 LYS H 1 58 SER H 2.600 . 3.400 2.665 2.464 2.868 . 0 0 "[ . 1 . 2 . 3]" 1
1004 1 57 LYS HA 1 60 PHE QB 3.100 . 5.300 3.089 2.687 3.387 . 0 0 "[ . 1 . 2 . 3]" 1
1005 1 57 LYS HA 1 61 GLU H 3.800 . 5.600 4.448 3.965 4.942 . 0 0 "[ . 1 . 2 . 3]" 1
1006 1 57 LYS HB3 1 58 SER H 3.900 . 5.800 3.809 3.389 4.563 . 0 0 "[ . 1 . 2 . 3]" 1
1007 1 57 LYS HB3 1 61 GLU H 4.100 . 6.000 5.081 4.182 6.006 0.006 20 0 "[ . 1 . 2 . 3]" 1
1008 1 57 LYS HG2 1 58 SER H 5.300 . 6.000 4.941 2.881 5.307 . 0 0 "[ . 1 . 2 . 3]" 1
1009 1 57 LYS HG3 1 58 SER H 4.700 . 6.000 4.559 2.620 5.033 . 0 0 "[ . 1 . 2 . 3]" 1
1010 1 58 SER H 1 58 SER HA 2.700 . 3.600 2.888 2.826 2.990 . 0 0 "[ . 1 . 2 . 3]" 1
1011 1 58 SER H 1 58 SER HB3 2.600 . 3.500 2.626 2.321 3.046 . 0 0 "[ . 1 . 2 . 3]" 1
1012 1 58 SER H 1 59 LYS H 2.800 . 3.800 2.576 2.120 2.767 . 0 0 "[ . 1 . 2 . 3]" 1
1013 1 58 SER HA 1 58 SER HB2 2.400 . 3.100 2.540 2.437 2.606 . 0 0 "[ . 1 . 2 . 3]" 1
1014 1 58 SER HA 1 58 SER HB3 2.200 . 2.800 2.415 2.360 2.512 . 0 0 "[ . 1 . 2 . 3]" 1
1015 1 58 SER HA 1 59 LYS H 3.400 . 4.800 3.529 3.515 3.565 . 0 0 "[ . 1 . 2 . 3]" 1
1016 1 58 SER HA 1 61 GLU HB2 2.500 . 3.300 2.813 2.080 3.304 0.004 20 0 "[ . 1 . 2 . 3]" 1
1017 1 58 SER HA 1 61 GLU HB3 3.800 . 5.600 3.166 2.442 3.938 . 0 0 "[ . 1 . 2 . 3]" 1
1018 1 58 SER HB2 1 61 GLU HB2 3.300 . 6.000 5.135 4.232 5.820 . 0 0 "[ . 1 . 2 . 3]" 1
1019 1 58 SER HB2 1 61 GLU HB3 3.700 . 6.000 5.122 4.381 5.917 . 0 0 "[ . 1 . 2 . 3]" 1
1020 1 58 SER HB3 1 61 GLU HB3 3.700 . 6.000 5.366 4.654 5.981 . 0 0 "[ . 1 . 2 . 3]" 1
1021 1 59 LYS H 1 59 LYS HB2 2.800 . 3.800 2.328 2.209 2.462 . 0 0 "[ . 1 . 2 . 3]" 1
1022 1 59 LYS H 1 59 LYS HB3 3.200 . 4.500 2.584 2.464 2.712 . 0 0 "[ . 1 . 2 . 3]" 1
1023 1 59 LYS H 1 59 LYS QD 5.100 . 7.000 4.349 4.265 4.593 . 0 0 "[ . 1 . 2 . 3]" 1
1024 1 59 LYS H 1 59 LYS QG 3.500 . 6.000 3.914 3.878 3.941 . 0 0 "[ . 1 . 2 . 3]" 1
1025 1 59 LYS H 1 60 PHE H 2.800 . 3.800 2.598 2.446 2.704 . 0 0 "[ . 1 . 2 . 3]" 1
1026 1 59 LYS H 1 61 GLU H 3.500 . 5.100 4.006 3.880 4.206 . 0 0 "[ . 1 . 2 . 3]" 1
1027 1 59 LYS H 1 62 ASP H 4.300 . 6.000 4.861 4.595 5.115 . 0 0 "[ . 1 . 2 . 3]" 1
1028 1 59 LYS HA 1 59 LYS HB2 2.800 . 3.800 2.549 2.502 2.605 . 0 0 "[ . 1 . 2 . 3]" 1
1029 1 59 LYS HA 1 59 LYS HB3 3.000 . 4.100 3.031 3.018 3.038 . 0 0 "[ . 1 . 2 . 3]" 1
1030 1 59 LYS HA 1 59 LYS QG 3.100 . 5.300 2.304 2.166 2.409 . 0 0 "[ . 1 . 2 . 3]" 1
1031 1 59 LYS HA 1 60 PHE H 3.300 . 4.600 3.524 3.519 3.556 . 0 0 "[ . 1 . 2 . 3]" 1
1032 1 59 LYS HA 1 60 PHE HA 3.300 . 6.000 4.731 4.696 4.814 . 0 0 "[ . 1 . 2 . 3]" 1
1033 1 59 LYS HA 1 62 ASP H 3.200 . 4.500 3.849 3.533 4.048 . 0 0 "[ . 1 . 2 . 3]" 1
1034 1 59 LYS HA 1 62 ASP HB2 3.200 . 4.500 3.770 2.546 4.322 . 0 0 "[ . 1 . 2 . 3]" 1
1035 1 59 LYS HA 1 62 ASP HB3 2.900 . 3.900 3.525 3.131 3.901 0.001 27 0 "[ . 1 . 2 . 3]" 1
1036 1 59 LYS HB2 1 59 LYS QE 3.000 . 5.200 3.647 2.435 4.268 . 0 0 "[ . 1 . 2 . 3]" 1
1037 1 59 LYS HB2 1 60 PHE H 4.400 . 6.000 3.857 3.732 3.926 . 0 0 "[ . 1 . 2 . 3]" 1
1038 1 59 LYS HB3 1 59 LYS QE 3.300 . 5.700 3.294 2.112 4.200 . 0 0 "[ . 1 . 2 . 3]" 1
1039 1 59 LYS HB3 1 60 PHE H 4.200 . 6.000 2.767 2.576 2.807 . 0 0 "[ . 1 . 2 . 3]" 1
1040 1 59 LYS QE 1 60 PHE QD 3.800 . 8.600 4.898 3.217 6.048 . 0 0 "[ . 1 . 2 . 3]" 1
1041 1 59 LYS QE 1 60 PHE QE 3.100 . 8.300 4.253 2.569 5.340 . 0 0 "[ . 1 . 2 . 3]" 1
1042 1 59 LYS QE 1 60 PHE HZ 3.700 . 6.400 4.733 2.733 5.662 . 0 0 "[ . 1 . 2 . 3]" 1
1043 1 59 LYS QG 1 60 PHE H 4.500 . 7.000 3.974 3.801 4.105 . 0 0 "[ . 1 . 2 . 3]" 1
1044 1 59 LYS QG 1 60 PHE QD 3.800 . 8.600 4.489 3.971 4.922 . 0 0 "[ . 1 . 2 . 3]" 1
1045 1 59 LYS QG 1 60 PHE QE 3.800 . 9.600 4.736 4.210 5.313 . 0 0 "[ . 1 . 2 . 3]" 1
1046 1 59 LYS QG 1 62 ASP H 4.900 . 7.000 5.208 4.849 5.399 . 0 0 "[ . 1 . 2 . 3]" 1
1047 1 59 LYS QG 1 63 MET HB3 3.500 . 7.000 5.889 5.029 6.242 . 0 0 "[ . 1 . 2 . 3]" 1
1048 1 60 PHE H 1 60 PHE QB 3.200 . 5.500 2.191 2.101 2.258 . 0 0 "[ . 1 . 2 . 3]" 1
1049 1 60 PHE H 1 60 PHE QD 2.700 . 5.600 2.568 2.081 3.086 . 0 0 "[ . 1 . 2 . 3]" 1
1050 1 60 PHE H 1 61 GLU H 2.500 . 3.300 2.322 2.228 2.580 . 0 0 "[ . 1 . 2 . 3]" 1
1051 1 60 PHE H 1 61 GLU HB2 4.800 . 6.000 4.276 4.083 4.535 . 0 0 "[ . 1 . 2 . 3]" 1
1052 1 60 PHE H 1 61 GLU HB3 5.600 . 6.000 5.146 4.631 5.793 . 0 0 "[ . 1 . 2 . 3]" 1
1053 1 60 PHE H 1 61 GLU QG 5.000 . 7.000 5.216 3.968 6.075 . 0 0 "[ . 1 . 2 . 3]" 1
1054 1 60 PHE HA 1 60 PHE QD 2.800 . 5.800 2.646 2.324 2.966 . 0 0 "[ . 1 . 2 . 3]" 1
1055 1 60 PHE HA 1 60 PHE HZ 4.600 . 6.000 5.762 5.637 5.846 . 0 0 "[ . 1 . 2 . 3]" 1
1056 1 60 PHE HA 1 61 GLU H 3.600 . 5.200 3.524 3.519 3.569 . 0 0 "[ . 1 . 2 . 3]" 1
1057 1 60 PHE HA 1 63 MET H 3.300 . 4.600 3.494 3.303 3.788 . 0 0 "[ . 1 . 2 . 3]" 1
1058 1 60 PHE HA 1 64 ALA H 4.000 . 6.000 4.407 4.070 4.689 . 0 0 "[ . 1 . 2 . 3]" 1
1059 1 60 PHE QB 1 60 PHE QD 2.500 . 6.300 2.152 2.148 2.161 . 0 0 "[ . 1 . 2 . 3]" 1
1060 1 60 PHE QB 1 60 PHE QE 4.100 . 10.000 3.964 3.961 3.971 . 0 0 "[ . 1 . 2 . 3]" 1
1061 1 60 PHE QB 1 61 GLU H 3.200 . 5.500 2.733 2.461 2.801 . 0 0 "[ . 1 . 2 . 3]" 1
1062 1 60 PHE QD 1 63 MET HB3 3.600 . 8.000 5.361 4.237 5.996 . 0 0 "[ . 1 . 2 . 3]" 1
1063 1 61 GLU H 1 61 GLU HA 3.000 . 4.100 2.910 2.872 2.939 . 0 0 "[ . 1 . 2 . 3]" 1
1064 1 61 GLU H 1 61 GLU HB2 2.800 . 3.800 2.233 2.114 2.358 . 0 0 "[ . 1 . 2 . 3]" 1
1065 1 61 GLU H 1 61 GLU HB3 3.700 . 5.400 2.991 2.592 3.509 . 0 0 "[ . 1 . 2 . 3]" 1
1066 1 61 GLU H 1 61 GLU QG 2.800 . 4.800 3.363 2.411 4.015 . 0 0 "[ . 1 . 2 . 3]" 1
1067 1 61 GLU H 1 62 ASP H 2.700 . 3.600 2.501 2.385 2.635 . 0 0 "[ . 1 . 2 . 3]" 1
1068 1 61 GLU H 1 62 ASP HB2 4.900 . 6.000 4.531 4.129 4.654 . 0 0 "[ . 1 . 2 . 3]" 1
1069 1 61 GLU H 1 62 ASP HB3 4.800 . 6.000 4.954 4.731 5.941 . 0 0 "[ . 1 . 2 . 3]" 1
1070 1 61 GLU HA 1 64 ALA MB 3.000 . 5.600 2.771 2.429 3.141 . 0 0 "[ . 1 . 2 . 3]" 1
1071 1 61 GLU HA 1 65 LYS HB2 3.000 . 6.000 4.805 4.508 5.125 . 0 0 "[ . 1 . 2 . 3]" 1
1072 1 61 GLU HA 1 65 LYS HB3 3.300 . 6.000 5.939 5.581 6.002 0.002 8 0 "[ . 1 . 2 . 3]" 1
1073 1 61 GLU HB2 1 62 ASP H 2.800 . 3.800 3.421 2.859 3.804 0.004 28 0 "[ . 1 . 2 . 3]" 1
1074 1 61 GLU HB2 1 63 MET H 3.900 . 5.800 5.394 5.022 5.634 . 0 0 "[ . 1 . 2 . 3]" 1
1075 1 61 GLU HB2 1 64 ALA H 4.500 . 6.000 5.769 5.556 5.981 . 0 0 "[ . 1 . 2 . 3]" 1
1076 1 61 GLU HB3 1 62 ASP H 3.600 . 5.200 3.137 2.760 3.693 . 0 0 "[ . 1 . 2 . 3]" 1
1077 1 61 GLU HB3 1 63 MET H 3.900 . 5.800 5.184 4.975 5.545 . 0 0 "[ . 1 . 2 . 3]" 1
1078 1 61 GLU HB3 1 64 ALA H 4.400 . 6.000 5.512 5.268 5.658 . 0 0 "[ . 1 . 2 . 3]" 1
1079 1 61 GLU QG 1 62 ASP H 4.400 . 7.000 4.222 4.031 4.532 . 0 0 "[ . 1 . 2 . 3]" 1
1080 1 62 ASP H 1 62 ASP HA 2.600 . 3.500 2.921 2.896 2.949 . 0 0 "[ . 1 . 2 . 3]" 1
1081 1 62 ASP H 1 62 ASP HB2 2.500 . 3.300 2.316 2.036 2.408 . 0 0 "[ . 1 . 2 . 3]" 1
1082 1 62 ASP H 1 62 ASP HB3 2.600 . 3.500 2.660 2.547 3.440 . 0 0 "[ . 1 . 2 . 3]" 1
1083 1 62 ASP H 1 63 MET H 2.800 . 3.800 2.461 2.343 2.557 . 0 0 "[ . 1 . 2 . 3]" 1
1084 1 62 ASP H 1 63 MET HA 5.100 . 6.000 5.172 5.071 5.264 . 0 0 "[ . 1 . 2 . 3]" 1
1085 1 62 ASP H 1 63 MET HB2 4.800 . 6.000 4.364 4.136 4.540 . 0 0 "[ . 1 . 2 . 3]" 1
1086 1 62 ASP H 1 64 ALA H 4.100 . 6.000 3.993 3.908 4.147 . 0 0 "[ . 1 . 2 . 3]" 1
1087 1 62 ASP H 1 64 ALA MB 4.600 . 7.500 4.777 4.679 4.964 . 0 0 "[ . 1 . 2 . 3]" 1
1088 1 62 ASP HA 1 62 ASP HB2 2.500 . 3.300 2.606 2.549 2.995 . 0 0 "[ . 1 . 2 . 3]" 1
1089 1 62 ASP HA 1 62 ASP HB3 2.900 . 3.900 3.002 2.670 3.031 . 0 0 "[ . 1 . 2 . 3]" 1
1090 1 62 ASP HA 1 65 LYS H 3.300 . 4.700 3.616 3.394 3.855 . 0 0 "[ . 1 . 2 . 3]" 1
1091 1 62 ASP HA 1 65 LYS HB2 3.000 . 4.100 3.566 3.216 4.098 . 0 0 "[ . 1 . 2 . 3]" 1
1092 1 62 ASP HA 1 65 LYS HB3 2.600 . 3.400 3.136 2.709 3.401 0.001 24 0 "[ . 1 . 2 . 3]" 1
1093 1 63 MET H 1 63 MET HB2 2.800 . 3.800 2.171 2.005 2.271 . 0 0 "[ . 1 . 2 . 3]" 1
1094 1 63 MET H 1 63 MET HB3 4.800 . 6.000 3.471 3.048 3.529 . 0 0 "[ . 1 . 2 . 3]" 1
1095 1 63 MET H 1 63 MET ME 4.100 . 7.500 4.688 3.594 5.585 . 0 0 "[ . 1 . 2 . 3]" 1
1096 1 63 MET H 1 63 MET HG2 3.200 . 4.500 3.146 2.309 4.423 . 0 0 "[ . 1 . 2 . 3]" 1
1097 1 63 MET H 1 63 MET HG3 2.800 . 3.800 3.205 2.347 3.807 0.007 23 0 "[ . 1 . 2 . 3]" 1
1098 1 63 MET H 1 64 ALA H 2.900 . 4.000 2.442 2.373 2.586 . 0 0 "[ . 1 . 2 . 3]" 1
1099 1 63 MET H 1 64 ALA MB 4.900 . 7.500 4.052 3.957 4.203 . 0 0 "[ . 1 . 2 . 3]" 1
1100 1 63 MET HA 1 63 MET HG2 2.800 . 3.800 2.492 2.167 2.716 . 0 0 "[ . 1 . 2 . 3]" 1
1101 1 63 MET HA 1 63 MET HG3 3.100 . 4.300 3.288 2.433 3.692 . 0 0 "[ . 1 . 2 . 3]" 1
1102 1 63 MET HA 1 64 ALA H 3.600 . 5.300 3.523 3.517 3.545 . 0 0 "[ . 1 . 2 . 3]" 1
1103 1 63 MET HA 1 66 SER H 3.500 . 5.000 3.653 3.561 3.777 . 0 0 "[ . 1 . 2 . 3]" 1
1104 1 63 MET HA 1 66 SER HB2 3.100 . 4.300 3.317 2.467 3.825 . 0 0 "[ . 1 . 2 . 3]" 1
1105 1 63 MET HA 1 66 SER HB3 2.800 . 3.800 3.287 2.707 3.801 0.001 24 0 "[ . 1 . 2 . 3]" 1
1106 1 63 MET HB3 1 63 MET HG3 3.000 . 4.100 2.784 2.548 3.034 . 0 0 "[ . 1 . 2 . 3]" 1
1107 1 63 MET HB3 1 64 ALA H 3.600 . 5.200 3.608 2.965 3.737 . 0 0 "[ . 1 . 2 . 3]" 1
1108 1 63 MET HB3 1 67 ASP H 4.000 . 6.000 5.871 5.588 6.004 0.004 23 0 "[ . 1 . 2 . 3]" 1
1109 1 63 MET ME 1 64 ALA H 3.100 . 7.500 5.721 4.905 6.253 . 0 0 "[ . 1 . 2 . 3]" 1
1110 1 63 MET HG2 1 64 ALA H 4.800 . 6.000 4.762 4.401 5.086 . 0 0 "[ . 1 . 2 . 3]" 1
1111 1 63 MET HG3 1 64 ALA H 5.000 . 6.000 4.884 4.443 5.195 . 0 0 "[ . 1 . 2 . 3]" 1
1112 1 64 ALA H 1 64 ALA HA 2.900 . 3.900 2.924 2.897 2.941 . 0 0 "[ . 1 . 2 . 3]" 1
1113 1 64 ALA H 1 64 ALA MB 2.500 . 4.800 2.138 2.063 2.179 . 0 0 "[ . 1 . 2 . 3]" 1
1114 1 64 ALA H 1 65 LYS H 2.600 . 3.500 2.473 2.375 2.596 . 0 0 "[ . 1 . 2 . 3]" 1
1115 1 64 ALA HA 1 64 ALA MB 2.300 . 4.500 2.153 2.144 2.156 . 0 0 "[ . 1 . 2 . 3]" 1
1116 1 64 ALA MB 1 65 LYS H 2.800 . 5.300 2.570 2.326 2.734 . 0 0 "[ . 1 . 2 . 3]" 1
1117 1 64 ALA MB 1 66 SER H 4.200 . 7.500 4.405 4.266 4.483 . 0 0 "[ . 1 . 2 . 3]" 1
1118 1 64 ALA MB 1 67 ASP H 4.600 . 7.500 4.768 4.546 5.031 . 0 0 "[ . 1 . 2 . 3]" 1
1119 1 65 LYS H 1 65 LYS HA 2.600 . 3.400 2.894 2.863 2.933 . 0 0 "[ . 1 . 2 . 3]" 1
1120 1 65 LYS H 1 65 LYS HB2 2.400 . 3.100 2.305 2.126 2.399 . 0 0 "[ . 1 . 2 . 3]" 1
1121 1 65 LYS H 1 65 LYS HB3 2.300 . 3.000 2.615 2.530 2.825 . 0 0 "[ . 1 . 2 . 3]" 1
1122 1 65 LYS H 1 65 LYS HD2 4.400 . 6.000 4.657 4.337 5.560 . 0 0 "[ . 1 . 2 . 3]" 1
1123 1 65 LYS H 1 65 LYS HD3 4.600 . 6.000 4.829 4.166 5.885 . 0 0 "[ . 1 . 2 . 3]" 1
1124 1 65 LYS H 1 68 LYS QG 2.900 . 7.000 6.209 6.152 6.288 . 0 0 "[ . 1 . 2 . 3]" 1
1125 1 65 LYS HA 1 65 LYS HB2 2.400 . 3.100 2.571 2.523 2.673 . 0 0 "[ . 1 . 2 . 3]" 1
1126 1 65 LYS HA 1 65 LYS HB3 2.800 . 3.800 3.026 2.994 3.036 . 0 0 "[ . 1 . 2 . 3]" 1
1127 1 65 LYS HA 1 65 LYS HD2 3.700 . 5.400 3.037 2.018 4.466 . 0 0 "[ . 1 . 2 . 3]" 1
1128 1 65 LYS HA 1 65 LYS HD3 3.400 . 4.800 3.434 2.049 4.756 . 0 0 "[ . 1 . 2 . 3]" 1
1129 1 65 LYS HA 1 66 SER H 3.000 . 4.100 3.521 3.513 3.540 . 0 0 "[ . 1 . 2 . 3]" 1
1130 1 65 LYS HA 1 68 LYS QD 3.500 . 6.000 3.730 2.716 5.171 . 0 0 "[ . 1 . 2 . 3]" 1
1131 1 65 LYS HA 1 68 LYS QG 3.600 . 6.200 4.104 3.644 4.360 . 0 0 "[ . 1 . 2 . 3]" 1
1132 1 65 LYS HB2 1 66 SER H 3.300 . 4.700 3.828 3.651 3.922 . 0 0 "[ . 1 . 2 . 3]" 1
1133 1 65 LYS HB3 1 66 SER H 2.500 . 3.300 2.790 2.661 2.841 . 0 0 "[ . 1 . 2 . 3]" 1
1134 1 65 LYS HD2 1 66 SER H 4.400 . 6.000 4.921 3.525 6.001 0.001 29 0 "[ . 1 . 2 . 3]" 1
1135 1 65 LYS HD2 1 69 ALA H 4.000 . 6.000 5.267 4.478 6.004 0.004 1 0 "[ . 1 . 2 . 3]" 1
1136 1 65 LYS HD3 1 66 SER H 4.400 . 6.000 5.384 3.699 5.998 . 0 0 "[ . 1 . 2 . 3]" 1
1137 1 66 SER H 1 66 SER HA 2.700 . 3.600 2.871 2.850 2.911 . 0 0 "[ . 1 . 2 . 3]" 1
1138 1 66 SER H 1 66 SER HB2 2.500 . 3.300 2.365 2.048 2.513 . 0 0 "[ . 1 . 2 . 3]" 1
1139 1 66 SER H 1 66 SER HB3 2.700 . 3.600 2.554 2.387 3.418 . 0 0 "[ . 1 . 2 . 3]" 1
1140 1 66 SER H 1 67 ASP H 2.700 . 3.600 2.686 2.503 2.865 . 0 0 "[ . 1 . 2 . 3]" 1
1141 1 66 SER H 1 67 ASP QB 4.700 . 7.000 4.490 4.215 5.041 . 0 0 "[ . 1 . 2 . 3]" 1
1142 1 66 SER H 1 69 ALA MB 3.000 . 7.500 5.020 4.559 5.352 . 0 0 "[ . 1 . 2 . 3]" 1
1143 1 66 SER HA 1 66 SER HB2 2.400 . 3.100 2.532 2.457 2.968 . 0 0 "[ . 1 . 2 . 3]" 1
1144 1 66 SER HA 1 66 SER HB3 2.700 . 3.600 3.025 2.726 3.039 . 0 0 "[ . 1 . 2 . 3]" 1
1145 1 66 SER HA 1 67 ASP H 3.100 . 4.300 3.556 3.521 3.588 . 0 0 "[ . 1 . 2 . 3]" 1
1146 1 66 SER HA 1 68 LYS H 3.700 . 5.400 4.521 4.361 4.864 . 0 0 "[ . 1 . 2 . 3]" 1
1147 1 66 SER HA 1 69 ALA H 3.400 . 4.900 3.952 3.768 4.278 . 0 0 "[ . 1 . 2 . 3]" 1
1148 1 66 SER HA 1 69 ALA MB 2.500 . 4.800 3.316 3.116 3.599 . 0 0 "[ . 1 . 2 . 3]" 1
1149 1 66 SER HA 1 70 ARG H 4.200 . 6.000 4.722 4.024 5.519 . 0 0 "[ . 1 . 2 . 3]" 1
1150 1 66 SER HB2 1 67 ASP H 3.800 . 5.600 3.761 3.023 3.950 . 0 0 "[ . 1 . 2 . 3]" 1
1151 1 66 SER HB3 1 67 ASP H 2.900 . 3.900 2.558 2.181 3.422 . 0 0 "[ . 1 . 2 . 3]" 1
1152 1 67 ASP H 1 67 ASP HA 2.800 . 3.800 2.939 2.880 2.988 . 0 0 "[ . 1 . 2 . 3]" 1
1153 1 67 ASP H 1 67 ASP QB 2.500 . 4.300 2.198 2.136 2.486 . 0 0 "[ . 1 . 2 . 3]" 1
1154 1 67 ASP H 1 68 LYS HB2 4.600 . 6.000 4.303 3.962 4.743 . 0 0 "[ . 1 . 2 . 3]" 1
1155 1 67 ASP H 1 68 LYS QG 5.200 . 7.000 5.851 5.582 6.266 . 0 0 "[ . 1 . 2 . 3]" 1
1156 1 67 ASP HA 1 68 LYS H 3.000 . 4.100 3.527 3.518 3.563 . 0 0 "[ . 1 . 2 . 3]" 1
1157 1 67 ASP HA 1 70 ARG H 3.200 . 4.500 3.301 3.119 3.477 . 0 0 "[ . 1 . 2 . 3]" 1
1158 1 67 ASP HA 1 70 ARG HB2 3.000 . 4.100 3.109 2.100 3.978 . 0 0 "[ . 1 . 2 . 3]" 1
1159 1 67 ASP HA 1 70 ARG HB3 2.800 . 3.800 2.966 2.299 3.755 . 0 0 "[ . 1 . 2 . 3]" 1
1160 1 67 ASP QB 1 68 LYS H 3.000 . 5.100 2.756 2.485 3.501 . 0 0 "[ . 1 . 2 . 3]" 1
1161 1 67 ASP QB 1 69 ALA H 4.900 . 7.000 4.674 4.506 4.944 . 0 0 "[ . 1 . 2 . 3]" 1
1162 1 68 LYS H 1 68 LYS HA 2.400 . 3.100 2.878 2.850 2.900 . 0 0 "[ . 1 . 2 . 3]" 1
1163 1 68 LYS H 1 68 LYS HB2 2.400 . 3.100 2.187 2.025 2.464 . 0 0 "[ . 1 . 2 . 3]" 1
1164 1 68 LYS H 1 68 LYS HB3 2.400 . 3.100 2.752 2.445 2.978 . 0 0 "[ . 1 . 2 . 3]" 1
1165 1 68 LYS H 1 68 LYS QD 4.300 . 7.000 4.357 4.066 4.551 . 0 0 "[ . 1 . 2 . 3]" 1
1166 1 68 LYS H 1 68 LYS QG 3.600 . 6.200 3.816 3.652 3.999 . 0 0 "[ . 1 . 2 . 3]" 1
1167 1 68 LYS H 1 69 ALA H 2.600 . 3.400 2.616 2.540 2.751 . 0 0 "[ . 1 . 2 . 3]" 1
1168 1 68 LYS HA 1 68 LYS HB2 2.300 . 3.000 2.632 2.492 2.751 . 0 0 "[ . 1 . 2 . 3]" 1
1169 1 68 LYS HA 1 68 LYS HB3 2.800 . 3.800 3.005 2.956 3.037 . 0 0 "[ . 1 . 2 . 3]" 1
1170 1 68 LYS HA 1 68 LYS QD 3.600 . 6.300 3.465 2.086 4.149 . 0 0 "[ . 1 . 2 . 3]" 1
1171 1 68 LYS HA 1 68 LYS QG 2.600 . 4.500 2.229 2.066 2.644 . 0 0 "[ . 1 . 2 . 3]" 1
1172 1 68 LYS HA 1 69 ALA H 3.000 . 4.100 3.527 3.518 3.565 . 0 0 "[ . 1 . 2 . 3]" 1
1173 1 68 LYS HA 1 71 TYR HB2 3.700 . 5.400 3.527 2.733 4.216 . 0 0 "[ . 1 . 2 . 3]" 1
1174 1 68 LYS HA 1 72 ASP H 4.100 . 6.000 5.505 4.674 6.011 0.011 29 0 "[ . 1 . 2 . 3]" 1
1175 1 68 LYS HB2 1 69 ALA H 4.100 . 6.000 3.710 3.515 3.968 . 0 0 "[ . 1 . 2 . 3]" 1
1176 1 68 LYS HB3 1 69 ALA H 2.700 . 3.600 2.803 2.577 2.950 . 0 0 "[ . 1 . 2 . 3]" 1
1177 1 68 LYS QD 1 69 ALA H 3.800 . 6.700 4.331 3.427 5.148 . 0 0 "[ . 1 . 2 . 3]" 1
1178 1 68 LYS QG 1 71 TYR H 4.200 . 7.000 5.260 4.559 5.759 . 0 0 "[ . 1 . 2 . 3]" 1
1179 1 68 LYS QG 1 71 TYR QD 4.300 . 9.000 5.503 4.734 6.287 . 0 0 "[ . 1 . 2 . 3]" 1
1180 1 68 LYS QG 1 71 TYR QE 4.600 . 10.000 6.936 6.196 7.783 . 0 0 "[ . 1 . 2 . 3]" 1
1181 1 69 ALA H 1 69 ALA HA 2.900 . 3.900 2.936 2.893 2.981 . 0 0 "[ . 1 . 2 . 3]" 1
1182 1 69 ALA H 1 69 ALA MB 2.400 . 4.600 2.168 2.107 2.235 . 0 0 "[ . 1 . 2 . 3]" 1
1183 1 69 ALA H 1 72 ASP QB 3.500 . 7.000 5.686 4.818 6.271 . 0 0 "[ . 1 . 2 . 3]" 1
1184 1 69 ALA HA 1 69 ALA MB 2.100 . 4.100 2.154 2.149 2.156 . 0 0 "[ . 1 . 2 . 3]" 1
1185 1 69 ALA HA 1 70 ARG H 2.900 . 3.900 3.522 3.505 3.571 . 0 0 "[ . 1 . 2 . 3]" 1
1186 1 69 ALA HA 1 71 TYR HB3 3.200 . 6.000 5.029 4.484 6.015 0.015 29 0 "[ . 1 . 2 . 3]" 1
1187 1 69 ALA HA 1 72 ASP QB 3.000 . 5.100 3.394 2.448 4.268 . 0 0 "[ . 1 . 2 . 3]" 1
1188 1 69 ALA MB 1 70 ARG H 2.600 . 5.000 2.682 2.338 2.787 . 0 0 "[ . 1 . 2 . 3]" 1
1189 1 70 ARG H 1 70 ARG HA 2.600 . 3.500 2.895 2.840 2.977 . 0 0 "[ . 1 . 2 . 3]" 1
1190 1 70 ARG H 1 70 ARG HB2 2.500 . 3.300 2.319 2.033 2.608 . 0 0 "[ . 1 . 2 . 3]" 1
1191 1 70 ARG H 1 70 ARG HB3 2.600 . 3.400 2.640 2.464 3.404 0.004 6 0 "[ . 1 . 2 . 3]" 1
1192 1 70 ARG H 1 70 ARG HG2 3.900 . 5.800 4.518 4.113 4.599 . 0 0 "[ . 1 . 2 . 3]" 1
1193 1 70 ARG H 1 70 ARG HG3 4.000 . 6.000 4.291 2.972 4.448 . 0 0 "[ . 1 . 2 . 3]" 1
1194 1 70 ARG H 1 71 TYR H 2.700 . 3.600 2.620 2.358 2.783 . 0 0 "[ . 1 . 2 . 3]" 1
1195 1 70 ARG H 1 72 ASP H 3.900 . 5.800 4.293 4.040 4.889 . 0 0 "[ . 1 . 2 . 3]" 1
1196 1 70 ARG HA 1 70 ARG HB2 2.800 . 3.800 2.581 2.494 2.974 . 0 0 "[ . 1 . 2 . 3]" 1
1197 1 70 ARG HA 1 70 ARG HG2 3.100 . 4.300 3.241 2.494 3.738 . 0 0 "[ . 1 . 2 . 3]" 1
1198 1 70 ARG HA 1 70 ARG HG3 2.800 . 3.800 2.364 2.090 2.731 . 0 0 "[ . 1 . 2 . 3]" 1
1199 1 70 ARG HA 1 71 TYR H 2.900 . 3.900 3.460 3.083 3.549 . 0 0 "[ . 1 . 2 . 3]" 1
1200 1 70 ARG HA 1 74 GLU QB 3.000 . 7.000 4.933 4.073 6.285 . 0 0 "[ . 1 . 2 . 3]" 1
1201 1 70 ARG HB2 1 71 TYR H 3.800 . 5.600 3.905 3.025 4.497 . 0 0 "[ . 1 . 2 . 3]" 1
1202 1 70 ARG HB3 1 71 TYR H 2.900 . 3.900 2.992 2.639 3.921 0.021 11 0 "[ . 1 . 2 . 3]" 1
1203 1 70 ARG HG2 1 71 TYR H 3.800 . 5.600 4.576 3.876 5.180 . 0 0 "[ . 1 . 2 . 3]" 1
1204 1 70 ARG HG3 1 71 TYR H 4.500 . 6.000 4.715 4.011 5.112 . 0 0 "[ . 1 . 2 . 3]" 1
1205 1 70 ARG HG3 1 72 ASP H 4.600 . 6.000 5.725 5.199 6.008 0.008 18 0 "[ . 1 . 2 . 3]" 1
1206 1 71 TYR H 1 71 TYR HA 2.700 . 3.600 2.891 2.837 2.998 . 0 0 "[ . 1 . 2 . 3]" 1
1207 1 71 TYR H 1 71 TYR HB2 2.600 . 3.400 2.321 1.984 2.906 . 0 0 "[ . 1 . 2 . 3]" 1
1208 1 71 TYR H 1 71 TYR HB3 2.500 . 3.300 2.705 2.530 3.325 0.025 6 0 "[ . 1 . 2 . 3]" 1
1209 1 71 TYR H 1 71 TYR QD 4.200 . 8.000 4.047 2.748 4.368 . 0 0 "[ . 1 . 2 . 3]" 1
1210 1 71 TYR H 1 72 ASP H 2.800 . 3.800 2.575 1.985 2.815 . 0 0 "[ . 1 . 2 . 3]" 1
1211 1 71 TYR HA 1 71 TYR HB2 2.500 . 3.300 2.600 2.526 2.939 . 0 0 "[ . 1 . 2 . 3]" 1
1212 1 71 TYR HA 1 71 TYR HB3 3.000 . 4.100 3.008 2.780 3.034 . 0 0 "[ . 1 . 2 . 3]" 1
1213 1 71 TYR HA 1 71 TYR QD 2.500 . 5.300 2.824 2.446 3.081 . 0 0 "[ . 1 . 2 . 3]" 1
1214 1 71 TYR HA 1 71 TYR QE 4.400 . 9.000 4.461 4.197 4.569 . 0 0 "[ . 1 . 2 . 3]" 1
1215 1 71 TYR HA 1 72 ASP H 3.000 . 4.100 3.470 2.994 3.524 . 0 0 "[ . 1 . 2 . 3]" 1
1216 1 71 TYR HA 1 74 GLU H 3.800 . 5.600 3.895 2.921 4.565 . 0 0 "[ . 1 . 2 . 3]" 1
1217 1 71 TYR HA 1 74 GLU QB 4.000 . 7.000 2.710 2.008 4.316 . 0 0 "[ . 1 . 2 . 3]" 1
1218 1 71 TYR HB2 1 71 TYR QD 2.600 . 5.500 2.425 2.300 2.588 . 0 0 "[ . 1 . 2 . 3]" 1
1219 1 71 TYR HB2 1 72 ASP H 4.100 . 6.000 3.876 3.360 4.448 . 0 0 "[ . 1 . 2 . 3]" 1
1220 1 71 TYR HB3 1 71 TYR QD 2.300 . 5.000 2.419 2.310 2.635 . 0 0 "[ . 1 . 2 . 3]" 1
1221 1 71 TYR QD 1 72 ASP H 3.800 . 7.600 4.103 3.788 4.885 . 0 0 "[ . 1 . 2 . 3]" 1
1222 1 71 TYR QD 1 75 MET HG2 3.800 . 7.600 5.668 4.063 7.031 . 0 0 "[ . 1 . 2 . 3]" 1
1223 1 71 TYR QD 1 75 MET HG3 3.800 . 7.600 4.877 3.194 6.659 . 0 0 "[ . 1 . 2 . 3]" 1
1224 1 71 TYR QE 1 72 ASP HA 3.800 . 8.600 5.558 5.017 7.830 . 0 0 "[ . 1 . 2 . 3]" 1
1225 1 71 TYR QE 1 75 MET HG2 3.300 . 7.700 5.107 3.781 6.302 . 0 0 "[ . 1 . 2 . 3]" 1
1226 1 71 TYR QE 1 75 MET HG3 3.400 . 7.800 4.220 2.410 5.595 . 0 0 "[ . 1 . 2 . 3]" 1
1227 1 72 ASP H 1 72 ASP HA 2.900 . 3.900 2.907 2.833 2.997 . 0 0 "[ . 1 . 2 . 3]" 1
1228 1 72 ASP H 1 72 ASP QB 2.600 . 4.400 2.200 2.102 2.797 . 0 0 "[ . 1 . 2 . 3]" 1
1229 1 72 ASP H 1 73 ARG H 2.600 . 3.500 2.631 2.043 3.238 . 0 0 "[ . 1 . 2 . 3]" 1
1230 1 72 ASP H 1 73 ARG QB 4.800 . 7.000 4.363 3.884 5.003 . 0 0 "[ . 1 . 2 . 3]" 1
1231 1 72 ASP HA 1 73 ARG H 2.800 . 3.800 3.442 2.795 3.577 . 0 0 "[ . 1 . 2 . 3]" 1
1232 1 72 ASP HA 1 74 GLU H 4.200 . 6.000 4.175 3.732 5.251 . 0 0 "[ . 1 . 2 . 3]" 1
1233 1 72 ASP HA 1 76 LYS HG2 2.900 . 6.000 5.235 3.307 6.002 0.002 28 0 "[ . 1 . 2 . 3]" 1
1234 1 72 ASP HA 1 76 LYS HG3 2.800 . 6.000 4.660 3.287 6.002 0.002 27 0 "[ . 1 . 2 . 3]" 1
1235 1 72 ASP QB 1 73 ARG H 2.900 . 4.900 2.853 2.468 3.913 . 0 0 "[ . 1 . 2 . 3]" 1
1236 1 73 ARG H 1 73 ARG HA 2.500 . 3.300 2.978 2.901 3.003 . 0 0 "[ . 1 . 2 . 3]" 1
1237 1 73 ARG H 1 73 ARG QB 2.400 . 4.100 2.278 2.046 2.878 . 0 0 "[ . 1 . 2 . 3]" 1
1238 1 73 ARG H 1 73 ARG QD 4.600 . 7.000 4.096 2.038 4.897 . 0 0 "[ . 1 . 2 . 3]" 1
1239 1 73 ARG H 1 73 ARG HG2 3.600 . 5.200 3.857 2.219 4.451 . 0 0 "[ . 1 . 2 . 3]" 1
1240 1 73 ARG H 1 73 ARG HG3 2.800 . 3.800 3.130 2.432 3.789 . 0 0 "[ . 1 . 2 . 3]" 1
1241 1 73 ARG H 1 74 GLU H 2.400 . 3.100 2.698 1.983 3.101 0.001 8 0 "[ . 1 . 2 . 3]" 1
1242 1 73 ARG HA 1 73 ARG QB 2.500 . 4.300 2.455 2.200 2.512 . 0 0 "[ . 1 . 2 . 3]" 1
1243 1 73 ARG HA 1 73 ARG HG2 2.900 . 3.900 2.465 2.117 3.865 . 0 0 "[ . 1 . 2 . 3]" 1
1244 1 73 ARG HA 1 73 ARG HG3 3.100 . 4.300 2.928 2.088 3.666 . 0 0 "[ . 1 . 2 . 3]" 1
1245 1 73 ARG QB 1 73 ARG QD 3.200 . 6.400 2.165 2.046 2.280 . 0 0 "[ . 1 . 2 . 3]" 1
1246 1 73 ARG QB 1 74 GLU H 2.500 . 4.300 3.424 2.221 3.901 . 0 0 "[ . 1 . 2 . 3]" 1
1247 1 73 ARG QB 1 74 GLU HA 3.000 . 5.100 4.206 3.890 4.474 . 0 0 "[ . 1 . 2 . 3]" 1
1248 1 73 ARG QD 1 73 ARG HG3 2.600 . 4.400 2.347 2.205 2.511 . 0 0 "[ . 1 . 2 . 3]" 1
1249 1 73 ARG HG2 1 74 GLU H 4.500 . 6.000 5.000 3.341 5.399 . 0 0 "[ . 1 . 2 . 3]" 1
1250 1 73 ARG HG3 1 74 GLU H 4.200 . 6.000 4.864 2.302 5.890 . 0 0 "[ . 1 . 2 . 3]" 1
1251 1 74 GLU H 1 74 GLU HA 2.500 . 3.300 2.958 2.826 3.005 . 0 0 "[ . 1 . 2 . 3]" 1
1252 1 74 GLU H 1 74 GLU QB 2.400 . 4.100 2.309 2.101 2.558 . 0 0 "[ . 1 . 2 . 3]" 1
1253 1 74 GLU H 1 74 GLU HG2 3.200 . 4.500 4.510 4.477 4.549 0.049 23 0 "[ . 1 . 2 . 3]" 1
1254 1 74 GLU H 1 74 GLU HG3 3.800 . 5.600 4.512 4.344 4.714 . 0 0 "[ . 1 . 2 . 3]" 1
1255 1 74 GLU H 1 75 MET H 2.400 . 3.100 2.309 1.999 2.991 . 0 0 "[ . 1 . 2 . 3]" 1
1256 1 74 GLU HA 1 74 GLU QB 2.200 . 3.800 2.420 2.377 2.471 . 0 0 "[ . 1 . 2 . 3]" 1
1257 1 74 GLU HA 1 74 GLU HG2 3.200 . 4.500 3.243 2.749 3.759 . 0 0 "[ . 1 . 2 . 3]" 1
1258 1 74 GLU HA 1 74 GLU HG3 3.200 . 4.400 2.494 2.270 2.808 . 0 0 "[ . 1 . 2 . 3]" 1
1259 1 74 GLU HA 1 76 LYS H 3.700 . 5.400 4.693 3.682 5.403 0.003 27 0 "[ . 1 . 2 . 3]" 1
1260 1 74 GLU QB 1 75 MET HA 3.000 . 7.000 4.225 4.016 4.463 . 0 0 "[ . 1 . 2 . 3]" 1
1261 1 74 GLU QB 1 76 LYS H 4.100 . 7.000 4.545 3.914 4.998 . 0 0 "[ . 1 . 2 . 3]" 1
1262 1 74 GLU HG2 1 75 MET HA 3.800 . 5.600 4.559 3.863 5.607 0.007 21 0 "[ . 1 . 2 . 3]" 1
1263 1 74 GLU HG3 1 75 MET HA 2.900 . 6.000 4.995 3.860 5.758 . 0 0 "[ . 1 . 2 . 3]" 1
1264 1 75 MET H 1 75 MET HA 2.700 . 3.600 2.963 2.899 3.002 . 0 0 "[ . 1 . 2 . 3]" 1
1265 1 75 MET H 1 75 MET HB2 2.400 . 6.000 2.262 2.070 3.846 . 0 0 "[ . 1 . 2 . 3]" 1
1266 1 75 MET H 1 75 MET HB3 3.100 . 4.300 3.410 2.736 3.625 . 0 0 "[ . 1 . 2 . 3]" 1
1267 1 75 MET H 1 75 MET HG2 3.600 . 5.200 3.414 2.406 4.243 . 0 0 "[ . 1 . 2 . 3]" 1
1268 1 75 MET H 1 75 MET HG3 3.200 . 4.500 3.464 2.355 4.499 . 0 0 "[ . 1 . 2 . 3]" 1
1269 1 75 MET H 1 76 LYS H 2.400 . 3.100 2.485 2.088 3.109 0.009 23 0 "[ . 1 . 2 . 3]" 1
1270 1 75 MET HA 1 75 MET HB3 2.800 . 3.800 2.653 2.457 3.006 . 0 0 "[ . 1 . 2 . 3]" 1
1271 1 75 MET HA 1 75 MET HG2 3.100 . 4.300 2.471 2.067 3.815 . 0 0 "[ . 1 . 2 . 3]" 1
1272 1 75 MET HA 1 75 MET HG3 3.400 . 4.800 3.340 2.699 3.660 . 0 0 "[ . 1 . 2 . 3]" 1
1273 1 75 MET HA 1 76 LYS H 2.900 . 4.000 3.392 2.678 3.591 . 0 0 "[ . 1 . 2 . 3]" 1
1274 1 76 LYS H 1 76 LYS HA 2.800 . 3.800 2.923 2.363 3.003 . 0 0 "[ . 1 . 2 . 3]" 1
1275 1 76 LYS H 1 76 LYS HB2 3.000 . 4.100 2.563 2.157 3.897 . 0 0 "[ . 1 . 2 . 3]" 1
1276 1 76 LYS H 1 76 LYS HB3 3.700 . 5.400 3.562 3.241 4.068 . 0 0 "[ . 1 . 2 . 3]" 1
1277 1 76 LYS H 1 76 LYS HG2 2.800 . 3.800 3.061 2.000 3.802 0.002 23 0 "[ . 1 . 2 . 3]" 1
1278 1 76 LYS H 1 76 LYS HG3 2.800 . 3.800 3.216 2.116 3.801 0.001 12 0 "[ . 1 . 2 . 3]" 1
1279 1 76 LYS HA 1 76 LYS HB2 2.700 . 3.600 2.954 2.486 3.038 . 0 0 "[ . 1 . 2 . 3]" 1
1280 1 76 LYS HA 1 76 LYS HB3 2.400 . 3.100 2.557 2.461 2.656 . 0 0 "[ . 1 . 2 . 3]" 1
1281 1 76 LYS HA 1 76 LYS HG2 2.700 . 3.600 2.577 2.103 3.614 0.014 6 0 "[ . 1 . 2 . 3]" 1
1282 1 76 LYS HA 1 76 LYS HG3 3.200 . 4.400 3.420 2.880 3.950 . 0 0 "[ . 1 . 2 . 3]" 1
1283 1 76 LYS HA 1 77 ASN H 2.900 . 4.000 2.632 2.205 3.588 . 0 0 "[ . 1 . 2 . 3]" 1
1284 1 76 LYS HB2 1 77 ASN H 3.600 . 5.200 3.626 2.106 4.521 . 0 0 "[ . 1 . 2 . 3]" 1
1285 1 76 LYS HB3 1 77 ASN H 4.400 . 6.000 3.339 2.009 4.457 . 0 0 "[ . 1 . 2 . 3]" 1
1286 1 77 ASN H 1 77 ASN HB2 4.000 . 6.000 2.649 2.199 3.858 . 0 0 "[ . 1 . 2 . 3]" 1
1287 1 77 ASN H 1 77 ASN HB3 4.300 . 6.000 3.137 2.584 3.801 . 0 0 "[ . 1 . 2 . 3]" 1
1288 1 77 ASN HA 1 77 ASN HB2 3.000 . 4.100 2.754 2.492 3.029 . 0 0 "[ . 1 . 2 . 3]" 1
1289 1 77 ASN HA 1 77 ASN HB3 2.800 . 3.700 2.810 2.458 3.028 . 0 0 "[ . 1 . 2 . 3]" 1
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