NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
398934 |
1ttv   |
6248 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1ttv
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 1125
_Distance_constraint_stats_list.Viol_count 1821
_Distance_constraint_stats_list.Viol_total 3339.276
_Distance_constraint_stats_list.Viol_max 1.511
_Distance_constraint_stats_list.Viol_rms 0.0609
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0092
_Distance_constraint_stats_list.Viol_average_violations_only 0.1019
_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 2 HIS 0.186 0.069 7 0 "[ . 1 . ]"
1 3 ILE 1.591 0.465 13 0 "[ . 1 . ]"
1 4 SER 0.823 0.096 4 0 "[ . 1 . ]"
1 7 ASP 0.441 0.377 14 0 "[ . 1 . ]"
1 8 GLN 1.414 0.533 2 2 "[ + . 1 .- ]"
1 9 GLU 0.253 0.107 18 0 "[ . 1 . ]"
1 10 LYS 0.999 0.107 18 0 "[ . 1 . ]"
1 11 LEU 18.483 1.052 5 16 "[***-+* * *********]"
1 12 VAL 1.077 0.164 17 0 "[ . 1 . ]"
1 13 GLN 8.140 0.453 1 0 "[ . 1 . ]"
1 14 PRO 3.211 0.375 18 0 "[ . 1 . ]"
1 15 THR 0.000 0.000 . 0 "[ . 1 . ]"
1 16 PRO 1.533 0.240 11 0 "[ . 1 . ]"
1 17 LEU 2.448 0.495 14 0 "[ . 1 . ]"
1 18 LEU 6.072 0.399 15 0 "[ . 1 . ]"
1 19 LEU 5.925 0.378 2 0 "[ . 1 . ]"
1 20 SER 1.231 0.085 6 0 "[ . 1 . ]"
1 21 LEU 9.136 0.399 15 0 "[ . 1 . ]"
1 22 LEU 6.520 0.375 18 0 "[ . 1 . ]"
1 23 LYS 1.938 0.125 9 0 "[ . 1 . ]"
1 24 SER 0.177 0.023 2 0 "[ . 1 . ]"
1 25 ALA 2.437 0.171 10 0 "[ . 1 . ]"
1 26 GLY 0.159 0.019 3 0 "[ . 1 . ]"
1 27 ALA 2.510 0.130 7 0 "[ . 1 . ]"
1 28 GLN 2.257 0.130 7 0 "[ . 1 . ]"
1 29 LYS 0.319 0.019 4 0 "[ . 1 . ]"
1 30 GLU 0.131 0.016 1 0 "[ . 1 . ]"
1 31 THR 17.871 0.662 1 10 "[+ * .-***1 * ** *]"
1 32 PHE 15.391 0.632 1 10 "[+ * .-***1 * ** *]"
1 33 THR 10.365 1.052 5 14 "[ *-+* * *********]"
1 34 MET 2.329 0.208 11 0 "[ . 1 . ]"
1 35 LYS 1.400 0.089 11 0 "[ . 1 . ]"
1 36 GLU 1.098 0.047 17 0 "[ . 1 . ]"
1 37 VAL 1.333 0.208 11 0 "[ . 1 . ]"
1 38 LEU 25.202 1.310 17 9 "[ **-.** * * . +*]"
1 39 TYR 5.347 0.975 8 5 "[* . + - *.* ]"
1 40 HIS 0.628 0.116 9 0 "[ . 1 . ]"
1 41 LEU 6.850 0.435 18 0 "[ . 1 . ]"
1 42 GLY 2.544 0.460 8 0 "[ . 1 . ]"
1 43 GLN 4.204 0.975 8 4 "[* . + 1 *.- ]"
1 44 TYR 0.400 0.032 9 0 "[ . 1 . ]"
1 45 ILE 6.235 0.724 10 2 "[ . + .- ]"
1 46 MET 0.033 0.011 3 0 "[ . 1 . ]"
1 47 ALA 0.023 0.004 12 0 "[ . 1 . ]"
1 48 LYS 0.780 0.085 5 0 "[ . 1 . ]"
1 49 GLN 0.231 0.015 12 0 "[ . 1 . ]"
1 50 LEU 0.448 0.119 18 0 "[ . 1 . ]"
1 51 TYR 0.779 0.133 5 0 "[ . 1 . ]"
1 52 ASP 1.133 0.202 11 0 "[ . 1 . ]"
1 53 GLU 0.251 0.019 17 0 "[ . 1 . ]"
1 54 LYS 0.683 0.107 1 0 "[ . 1 . ]"
1 55 GLN 0.847 0.069 1 0 "[ . 1 . ]"
1 56 GLN 0.260 0.019 17 0 "[ . 1 . ]"
1 57 HIS 2.990 0.788 17 4 "[ . *-1 * + ]"
1 58 ILE 4.130 0.537 11 4 "[ . *-1+ * ]"
1 59 VAL 0.618 0.056 1 0 "[ . 1 . ]"
1 60 HIS 0.003 0.003 3 0 "[ . 1 . ]"
1 61 CYS 0.192 0.013 5 0 "[ . 1 . ]"
1 62 SER 3.462 0.201 5 0 "[ . 1 . ]"
1 63 ASN 0.002 0.002 8 0 "[ . 1 . ]"
1 64 ASP 3.304 0.201 5 0 "[ . 1 . ]"
1 65 PRO 7.505 0.495 14 0 "[ . 1 . ]"
1 66 LEU 0.165 0.013 13 0 "[ . 1 . ]"
1 67 GLY 0.008 0.006 3 0 "[ . 1 . ]"
1 68 GLU 0.606 0.041 3 0 "[ . 1 . ]"
1 69 LEU 0.397 0.056 14 0 "[ . 1 . ]"
1 70 PHE 0.306 0.026 14 0 "[ . 1 . ]"
1 71 GLY 0.000 0.000 . 0 "[ . 1 . ]"
1 72 VAL 0.008 0.002 11 0 "[ . 1 . ]"
1 73 GLN 0.351 0.033 12 0 "[ . 1 . ]"
1 74 GLU 0.002 0.002 1 0 "[ . 1 . ]"
1 75 PHE 8.283 1.437 17 10 "[ * *** ** * .-+*]"
1 76 SER 0.056 0.012 14 0 "[ . 1 . ]"
1 77 VAL 23.556 1.511 17 13 "[****.* *** **-. +*]"
1 78 LYS 0.002 0.002 13 0 "[ . 1 . ]"
1 79 GLU 0.007 0.003 12 0 "[ . 1 . ]"
1 80 HIS 0.000 0.000 . 0 "[ . 1 . ]"
1 81 ARG 0.018 0.017 4 0 "[ . 1 . ]"
1 82 ARG 0.001 0.001 3 0 "[ . 1 . ]"
1 83 ILE 0.910 0.299 14 0 "[ . 1 . ]"
1 84 TYR 16.952 0.809 3 10 "[ *+**** *1 - . **]"
1 85 ALA 0.008 0.008 7 0 "[ . 1 . ]"
1 86 MET 1.345 0.129 3 0 "[ . 1 . ]"
1 87 ILE 9.947 0.602 17 1 "[ . 1 . + ]"
1 88 SER 0.087 0.015 1 0 "[ . 1 . ]"
1 89 ARG 0.685 0.115 8 0 "[ . 1 . ]"
1 90 ASN 0.477 0.087 14 0 "[ . 1 . ]"
1 91 LEU 0.184 0.042 15 0 "[ . 1 . ]"
1 92 VAL 0.073 0.036 18 0 "[ . 1 . ]"
1 93 SER 0.037 0.024 7 0 "[ . 1 . ]"
1 94 ALA 0.037 0.037 17 0 "[ . 1 . ]"
1 95 ASN 0.090 0.037 17 0 "[ . 1 . ]"
1 96 VAL 0.913 0.059 6 0 "[ . 1 . ]"
1 97 LYS 1.083 0.059 6 0 "[ . 1 . ]"
1 98 GLU 0.009 0.004 5 0 "[ . 1 . ]"
1 99 SER 0.009 0.004 5 0 "[ . 1 . ]"
1 100 SER 0.000 0.000 . 0 "[ . 1 . ]"
1 101 GLU 0.000 0.000 1 0 "[ . 1 . ]"
1 102 ASP 0.017 0.006 11 0 "[ . 1 . ]"
1 103 ILE 5.161 0.466 9 0 "[ . 1 . ]"
1 104 PHE 3.517 0.194 16 0 "[ . 1 . ]"
1 105 GLY 0.000 0.000 . 0 "[ . 1 . ]"
1 106 ASN 0.000 0.000 . 0 "[ . 1 . ]"
1 107 VAL 0.108 0.068 14 0 "[ . 1 . ]"
2 1 IMY 51.002 1.511 17 15 "[****** *** ***.-+*]"
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 2 HIS H 1 2 HIS HA 3.420 2.394 4.446 2.909 2.810 2.946 . 0 0 "[ . 1 . ]" 1
2 1 2 HIS HA 1 2 HIS HB2 2.700 . 3.510 2.850 2.538 3.016 . 0 0 "[ . 1 . ]" 1
3 1 2 HIS HA 1 3 ILE H 3.220 2.254 4.186 2.257 2.185 2.316 0.069 7 0 "[ . 1 . ]" 1
4 1 3 ILE H 1 3 ILE MG 4.320 3.024 5.616 3.696 2.648 4.029 0.376 9 0 "[ . 1 . ]" 1
5 1 3 ILE HA 1 3 ILE MD 3.950 2.765 5.135 3.777 2.300 4.164 0.465 13 0 "[ . 1 . ]" 1
6 1 3 ILE HA 1 3 ILE HG12 3.040 2.128 3.952 3.383 2.611 3.881 . 0 0 "[ . 1 . ]" 1
7 1 3 ILE HA 1 3 ILE HG13 2.950 2.065 3.835 3.022 2.375 3.818 . 0 0 "[ . 1 . ]" 1
8 1 3 ILE HA 1 3 ILE MG 2.470 . 3.211 2.245 2.084 2.370 . 0 0 "[ . 1 . ]" 1
9 1 3 ILE HA 1 4 SER H 3.520 2.464 4.576 3.024 2.418 3.569 0.046 11 0 "[ . 1 . ]" 1
10 1 3 ILE MG 1 7 ASP HB2 3.550 2.485 4.615 3.260 2.108 3.846 0.377 14 0 "[ . 1 . ]" 1
11 1 4 SER H 1 4 SER HA 3.420 2.394 4.446 2.656 2.298 2.947 0.096 4 0 "[ . 1 . ]" 1
12 1 7 ASP H 1 7 ASP HA 3.130 2.191 4.069 2.808 2.274 2.948 . 0 0 "[ . 1 . ]" 1
13 1 7 ASP H 1 7 ASP HB3 3.130 2.191 4.069 3.228 2.617 4.062 . 0 0 "[ . 1 . ]" 1
14 1 7 ASP HA 1 7 ASP HB2 2.510 . 3.263 2.651 2.435 3.027 . 0 0 "[ . 1 . ]" 1
15 1 7 ASP HA 1 8 GLN H 2.950 2.065 3.835 2.939 2.157 3.571 . 0 0 "[ . 1 . ]" 1
16 1 7 ASP HB2 1 8 GLN H 3.270 2.289 4.251 3.907 3.183 4.299 0.048 1 0 "[ . 1 . ]" 1
17 1 8 GLN H 1 8 GLN HA 2.700 . 3.510 2.893 2.769 2.947 . 0 0 "[ . 1 . ]" 1
18 1 8 GLN H 1 8 GLN HB2 3.320 2.324 4.316 2.798 2.305 3.253 0.019 4 0 "[ . 1 . ]" 1
19 1 8 GLN H 1 8 GLN HG2 3.130 2.191 4.069 3.929 3.254 4.115 0.046 9 0 "[ . 1 . ]" 1
20 1 8 GLN HA 1 8 GLN HB2 2.470 . 3.211 2.708 2.307 3.023 . 0 0 "[ . 1 . ]" 1
21 1 8 GLN HA 1 8 GLN HB3 2.630 . 3.419 2.716 2.355 3.003 . 0 0 "[ . 1 . ]" 1
22 1 8 GLN HA 1 8 GLN HG2 2.700 . 3.510 3.120 2.148 3.510 . 0 0 "[ . 1 . ]" 1
23 1 8 GLN HA 1 8 GLN HG3 2.470 . 3.211 2.791 2.360 3.230 0.019 13 0 "[ . 1 . ]" 1
24 1 8 GLN HA 1 9 GLU H 2.470 . 3.211 2.266 2.142 2.554 . 0 0 "[ . 1 . ]" 1
25 1 8 GLN HG2 1 11 LEU QD 4.220 2.954 5.486 3.822 2.421 4.515 0.533 2 2 "[ + . 1 .- ]" 1
26 1 9 GLU H 1 9 GLU HA 2.950 2.065 3.835 2.846 2.275 2.948 . 0 0 "[ . 1 . ]" 1
27 1 9 GLU H 1 9 GLU HG2 3.130 2.191 4.069 3.766 3.170 4.073 0.004 2 0 "[ . 1 . ]" 1
28 1 9 GLU H 1 9 GLU HG3 3.520 2.464 4.576 3.138 2.459 4.338 0.005 8 0 "[ . 1 . ]" 1
29 1 9 GLU HA 1 9 GLU HB2 2.470 . 3.211 3.003 2.855 3.023 . 0 0 "[ . 1 . ]" 1
30 1 9 GLU HA 1 9 GLU HB3 2.860 2.002 3.718 2.499 2.370 2.849 . 0 0 "[ . 1 . ]" 1
31 1 9 GLU HA 1 9 GLU HG2 2.950 2.065 3.835 2.471 2.077 2.891 . 0 0 "[ . 1 . ]" 1
32 1 9 GLU HA 1 9 GLU HG3 2.630 . 3.419 3.255 2.681 3.423 0.004 12 0 "[ . 1 . ]" 1
33 1 9 GLU HA 1 10 LYS H 2.630 . 3.419 2.754 2.165 3.526 0.107 18 0 "[ . 1 . ]" 1
34 1 9 GLU HA 1 33 THR MG 4.040 2.828 5.252 4.372 4.214 4.430 . 0 0 "[ . 1 . ]" 1
35 1 10 LYS H 1 10 LYS HA 2.860 2.002 3.718 2.652 2.276 2.939 . 0 0 "[ . 1 . ]" 1
36 1 10 LYS HA 1 10 LYS HD3 2.780 . 3.614 3.477 2.712 3.680 0.066 17 0 "[ . 1 . ]" 1
37 1 10 LYS HA 1 10 LYS HG2 3.220 2.254 4.186 3.310 2.685 4.226 0.040 6 0 "[ . 1 . ]" 1
38 1 10 LYS HA 1 11 LEU H 2.700 . 3.510 2.519 2.132 3.224 . 0 0 "[ . 1 . ]" 1
39 1 10 LYS HB2 1 11 LEU H 2.780 . 3.614 3.544 3.181 3.715 0.101 15 0 "[ . 1 . ]" 1
40 1 11 LEU H 1 11 LEU HA 2.860 2.002 3.718 2.898 2.820 2.947 . 0 0 "[ . 1 . ]" 1
41 1 11 LEU H 1 11 LEU HB2 3.420 2.394 4.446 2.928 2.391 3.747 0.003 5 0 "[ . 1 . ]" 1
42 1 11 LEU H 1 11 LEU QD 4.000 2.800 5.200 2.589 1.807 3.300 0.993 1 4 "[+- . 1 ** ]" 1
43 1 11 LEU HA 1 12 VAL H 3.040 2.128 3.952 2.280 2.130 2.464 . 0 0 "[ . 1 . ]" 1
44 1 11 LEU HB2 1 12 VAL H 3.520 2.464 4.576 3.453 2.450 4.150 0.014 7 0 "[ . 1 . ]" 1
45 1 11 LEU HB2 1 31 THR HB 2.950 2.065 3.835 3.730 3.307 3.886 0.051 5 0 "[ . 1 . ]" 1
46 1 11 LEU HB3 1 31 THR HB 3.420 2.394 4.446 3.626 2.763 4.500 0.054 1 0 "[ . 1 . ]" 1
47 1 11 LEU QD 1 12 VAL H 4.020 2.814 5.226 3.855 3.167 4.164 . 0 0 "[ . 1 . ]" 1
48 1 11 LEU QD 1 31 THR HB 3.360 2.590 4.368 3.085 1.928 3.383 0.662 1 1 "[+ . 1 . ]" 1
49 1 11 LEU QD 1 32 PHE H 4.320 3.024 5.616 4.155 3.287 4.482 . 0 0 "[ . 1 . ]" 1
50 1 11 LEU QD 1 32 PHE HA 4.320 3.024 5.616 3.138 2.392 3.953 0.632 1 1 "[+ . 1 . ]" 1
51 1 11 LEU QD 1 33 THR H 4.990 3.493 6.487 3.027 2.441 4.407 1.052 5 14 "[ *-+* * *********]" 1
52 1 12 VAL H 1 12 VAL MG2 2.550 . 3.315 1.960 1.862 2.218 . 0 0 "[ . 1 . ]" 1
53 1 12 VAL H 1 33 THR HA 3.520 2.464 4.576 2.536 2.434 3.326 0.030 1 0 "[ . 1 . ]" 1
54 1 12 VAL HA 1 13 GLN H 3.520 2.464 4.576 2.430 2.344 2.459 0.120 5 0 "[ . 1 . ]" 1
55 1 12 VAL HB 1 13 GLN H 3.040 2.128 3.952 2.488 2.282 2.963 . 0 0 "[ . 1 . ]" 1
56 1 12 VAL MG1 1 13 GLN H 3.520 2.464 4.576 3.278 3.026 3.640 . 0 0 "[ . 1 . ]" 1
57 1 12 VAL MG1 1 94 ALA HA 2.780 . 3.614 2.836 2.130 3.025 . 0 0 "[ . 1 . ]" 1
58 1 12 VAL MG1 1 95 ASN H 3.320 2.324 4.316 3.300 2.850 3.602 . 0 0 "[ . 1 . ]" 1
59 1 12 VAL MG2 1 32 PHE H 3.320 2.324 4.316 3.445 3.064 3.601 . 0 0 "[ . 1 . ]" 1
60 1 12 VAL MG2 1 32 PHE HD1 4.550 3.185 5.915 4.781 4.462 4.930 . 0 0 "[ . 1 . ]" 1
61 1 12 VAL MG2 1 33 THR HA 3.720 2.604 4.836 2.734 2.440 3.240 0.164 17 0 "[ . 1 . ]" 1
62 1 12 VAL MG2 1 34 MET HG3 3.450 2.415 4.485 3.744 3.615 3.788 . 0 0 "[ . 1 . ]" 1
63 1 13 GLN H 1 13 GLN HA 3.220 2.254 4.186 2.945 2.930 2.948 . 0 0 "[ . 1 . ]" 1
64 1 13 GLN H 1 13 GLN HB2 3.040 2.128 3.952 2.900 2.481 3.126 . 0 0 "[ . 1 . ]" 1
65 1 13 GLN H 1 13 GLN HB3 3.220 2.254 4.186 2.746 2.518 3.682 . 0 0 "[ . 1 . ]" 1
66 1 13 GLN H 1 13 GLN HG3 4.990 3.493 6.487 4.481 4.066 4.934 . 0 0 "[ . 1 . ]" 1
67 1 13 GLN H 1 14 PRO HD2 4.500 3.150 5.850 4.983 4.801 5.197 . 0 0 "[ . 1 . ]" 1
68 1 13 GLN HA 1 13 GLN HB2 3.180 2.226 4.134 2.533 2.423 3.012 . 0 0 "[ . 1 . ]" 1
69 1 13 GLN HA 1 13 GLN HB3 2.700 . 3.510 2.983 2.514 3.020 . 0 0 "[ . 1 . ]" 1
70 1 13 GLN HA 1 13 GLN HG3 3.040 2.128 3.952 2.817 2.471 3.747 . 0 0 "[ . 1 . ]" 1
71 1 13 GLN HA 1 14 PRO HD2 2.700 . 3.510 2.483 2.335 2.580 . 0 0 "[ . 1 . ]" 1
72 1 13 GLN HA 1 14 PRO HD3 2.860 2.002 3.718 2.108 1.977 2.261 0.025 5 0 "[ . 1 . ]" 1
73 1 13 GLN HA 1 31 THR MG 3.720 2.604 4.836 2.207 2.151 2.457 0.453 1 0 "[ . 1 . ]" 1
74 1 13 GLN HA 1 32 PHE HD1 4.000 2.800 5.200 4.387 4.042 4.711 . 0 0 "[ . 1 . ]" 1
75 1 13 GLN HG3 1 31 THR HB 4.990 3.493 6.487 6.498 6.331 6.521 0.034 2 0 "[ . 1 . ]" 1
76 1 13 GLN HG3 1 92 VAL MG2 2.330 . 3.029 2.543 2.528 2.592 . 0 0 "[ . 1 . ]" 1
77 1 14 PRO HA 1 15 THR H 2.860 2.002 3.718 2.218 2.165 2.398 . 0 0 "[ . 1 . ]" 1
78 1 14 PRO HA 1 18 LEU MD2 3.040 2.128 3.952 2.810 2.472 3.212 . 0 0 "[ . 1 . ]" 1
79 1 14 PRO HA 1 91 LEU MD2 2.700 . 3.510 2.218 1.848 2.809 0.042 15 0 "[ . 1 . ]" 1
80 1 14 PRO HA 1 92 VAL H 3.220 2.254 4.186 3.848 3.374 4.222 0.036 18 0 "[ . 1 . ]" 1
81 1 14 PRO HB2 1 22 LEU MD1 3.950 2.765 5.135 2.767 2.390 3.128 0.375 18 0 "[ . 1 . ]" 1
82 1 14 PRO HB3 1 19 LEU H 3.040 2.128 3.952 3.984 3.969 3.999 0.047 17 0 "[ . 1 . ]" 1
83 1 14 PRO HD2 1 32 PHE HD1 2.950 2.065 3.835 2.864 2.534 3.364 . 0 0 "[ . 1 . ]" 1
84 1 14 PRO HD3 1 32 PHE HD1 3.040 2.128 3.952 3.049 2.617 3.297 . 0 0 "[ . 1 . ]" 1
85 1 14 PRO HG2 1 22 LEU MD1 2.700 . 3.510 1.868 1.809 2.049 0.081 9 0 "[ . 1 . ]" 1
86 1 14 PRO HG2 1 32 PHE HD1 3.130 2.191 4.069 2.569 2.183 3.136 0.008 8 0 "[ . 1 . ]" 1
87 1 14 PRO HG3 1 32 PHE HD1 3.320 2.324 4.316 3.641 3.174 4.205 . 0 0 "[ . 1 . ]" 1
88 1 15 THR H 1 15 THR MG 2.550 . 3.315 2.506 2.042 2.765 . 0 0 "[ . 1 . ]" 1
89 1 15 THR H 1 91 LEU HA 3.220 2.254 4.186 3.145 2.718 4.178 . 0 0 "[ . 1 . ]" 1
90 1 15 THR H 1 92 VAL MG1 3.720 2.604 4.836 4.008 3.860 4.046 . 0 0 "[ . 1 . ]" 1
91 1 15 THR HA 1 16 PRO HD2 2.700 . 3.510 2.554 2.287 2.909 . 0 0 "[ . 1 . ]" 1
92 1 15 THR HA 1 92 VAL MG1 2.700 . 3.510 2.431 1.997 2.752 . 0 0 "[ . 1 . ]" 1
93 1 15 THR MG 1 17 LEU H 4.990 3.493 6.487 4.275 4.167 4.427 . 0 0 "[ . 1 . ]" 1
94 1 15 THR MG 1 18 LEU H 4.990 3.493 6.487 4.478 4.168 4.721 . 0 0 "[ . 1 . ]" 1
95 1 15 THR MG 1 91 LEU H 4.000 2.800 5.200 4.017 3.567 4.335 . 0 0 "[ . 1 . ]" 1
96 1 15 THR MG 1 92 VAL HA 3.950 2.765 5.135 3.649 3.213 4.219 . 0 0 "[ . 1 . ]" 1
97 1 16 PRO HA 1 16 PRO HB2 2.470 . 3.211 2.915 2.831 2.996 . 0 0 "[ . 1 . ]" 1
98 1 16 PRO HA 1 16 PRO HB3 2.780 . 3.614 2.288 2.258 2.319 . 0 0 "[ . 1 . ]" 1
99 1 16 PRO HA 1 16 PRO HG3 2.950 2.065 3.835 3.390 2.919 3.858 0.023 6 0 "[ . 1 . ]" 1
100 1 16 PRO HA 1 17 LEU H 3.520 2.464 4.576 3.525 3.506 3.547 . 0 0 "[ . 1 . ]" 1
101 1 16 PRO HA 1 18 LEU H 4.990 3.493 6.487 5.102 4.950 5.223 . 0 0 "[ . 1 . ]" 1
102 1 16 PRO HA 1 19 LEU H 3.520 2.464 4.576 3.791 3.712 3.852 . 0 0 "[ . 1 . ]" 1
103 1 16 PRO HA 1 19 LEU HB2 3.130 2.191 4.069 2.423 2.319 2.847 . 0 0 "[ . 1 . ]" 1
104 1 16 PRO HA 1 19 LEU HB3 2.950 2.065 3.835 3.458 2.472 3.690 . 0 0 "[ . 1 . ]" 1
105 1 16 PRO HA 1 19 LEU MD1 3.450 2.415 4.485 2.482 2.175 3.543 0.240 11 0 "[ . 1 . ]" 1
106 1 16 PRO HA 1 19 LEU MD2 4.320 3.024 5.616 4.690 4.684 4.697 . 0 0 "[ . 1 . ]" 1
107 1 16 PRO HA 1 19 LEU HG 3.040 2.128 3.952 3.944 3.593 3.975 0.023 5 0 "[ . 1 . ]" 1
108 1 16 PRO HA 1 20 SER H 3.520 2.464 4.576 4.240 3.985 4.414 . 0 0 "[ . 1 . ]" 1
109 1 16 PRO HD2 1 92 VAL MG1 3.720 2.604 4.836 3.350 2.875 3.751 . 0 0 "[ . 1 . ]" 1
110 1 16 PRO HD3 1 17 LEU H 3.520 2.464 4.576 4.176 4.135 4.225 . 0 0 "[ . 1 . ]" 1
111 1 17 LEU H 1 17 LEU HA 3.220 2.254 4.186 2.855 2.841 2.873 . 0 0 "[ . 1 . ]" 1
112 1 17 LEU H 1 17 LEU HB2 2.860 2.002 3.718 2.584 2.491 2.702 . 0 0 "[ . 1 . ]" 1
113 1 17 LEU H 1 17 LEU HB3 2.860 2.002 3.718 2.479 2.375 2.569 . 0 0 "[ . 1 . ]" 1
114 1 17 LEU H 1 17 LEU MD1 4.320 3.024 5.616 4.062 4.005 4.124 . 0 0 "[ . 1 . ]" 1
115 1 17 LEU H 1 18 LEU H 3.420 2.394 4.446 2.729 2.612 2.810 . 0 0 "[ . 1 . ]" 1
116 1 17 LEU HA 1 17 LEU MD1 2.130 . 2.769 1.974 1.913 2.078 . 0 0 "[ . 1 . ]" 1
117 1 17 LEU HA 1 17 LEU HG 2.950 2.065 3.835 3.299 3.220 3.398 . 0 0 "[ . 1 . ]" 1
118 1 17 LEU HA 1 18 LEU H 3.520 2.464 4.576 3.573 3.569 3.577 . 0 0 "[ . 1 . ]" 1
119 1 17 LEU HA 1 20 SER H 3.220 2.254 4.186 3.885 3.735 4.022 . 0 0 "[ . 1 . ]" 1
120 1 17 LEU HB2 1 18 LEU H 3.040 2.128 3.952 3.647 3.596 3.709 . 0 0 "[ . 1 . ]" 1
121 1 17 LEU MD1 1 21 LEU H 4.320 3.024 5.616 4.366 4.203 4.510 . 0 0 "[ . 1 . ]" 1
122 1 17 LEU MD1 1 65 PRO HA 4.220 2.954 5.486 2.838 2.459 3.109 0.495 14 0 "[ . 1 . ]" 1
123 1 17 LEU MD1 1 65 PRO HB2 2.780 . 3.614 3.011 2.987 3.015 . 0 0 "[ . 1 . ]" 1
124 1 17 LEU MD2 1 18 LEU H 4.220 2.954 5.486 4.071 3.859 4.382 . 0 0 "[ . 1 . ]" 1
125 1 17 LEU MD2 1 68 GLU H 4.500 3.150 5.850 4.270 3.952 4.783 . 0 0 "[ . 1 . ]" 1
126 1 17 LEU MD2 1 69 LEU H 3.040 2.128 3.952 2.903 2.458 3.281 . 0 0 "[ . 1 . ]" 1
127 1 17 LEU MD2 1 69 LEU HA 2.470 . 3.211 2.181 1.840 2.556 . 0 0 "[ . 1 . ]" 1
128 1 18 LEU H 1 18 LEU HB2 2.950 2.065 3.835 2.359 2.278 2.470 . 0 0 "[ . 1 . ]" 1
129 1 18 LEU H 1 18 LEU HB3 3.040 2.128 3.952 2.675 2.547 2.770 . 0 0 "[ . 1 . ]" 1
130 1 18 LEU H 1 18 LEU MD1 4.320 3.024 5.616 3.859 3.706 4.016 . 0 0 "[ . 1 . ]" 1
131 1 18 LEU H 1 19 LEU H 3.130 2.191 4.069 2.681 2.607 2.722 . 0 0 "[ . 1 . ]" 1
132 1 18 LEU H 1 69 LEU MD1 3.040 2.128 3.952 2.804 2.072 3.262 0.056 14 0 "[ . 1 . ]" 1
133 1 18 LEU HA 1 18 LEU HB2 3.090 2.163 4.017 2.525 2.465 2.590 . 0 0 "[ . 1 . ]" 1
134 1 18 LEU HA 1 18 LEU HB3 2.550 . 3.315 3.016 3.006 3.021 . 0 0 "[ . 1 . ]" 1
135 1 18 LEU HA 1 18 LEU MD1 2.330 . 3.029 1.985 1.915 2.099 . 0 0 "[ . 1 . ]" 1
136 1 18 LEU HA 1 18 LEU HG 3.040 2.128 3.952 3.180 3.045 3.263 . 0 0 "[ . 1 . ]" 1
137 1 18 LEU HA 1 19 LEU H 4.000 2.800 5.200 3.499 3.479 3.516 . 0 0 "[ . 1 . ]" 1
138 1 18 LEU HA 1 21 LEU H 3.130 2.191 4.069 3.547 3.453 3.623 . 0 0 "[ . 1 . ]" 1
139 1 18 LEU HA 1 21 LEU MD1 3.360 2.352 4.368 2.018 1.953 2.313 0.399 15 0 "[ . 1 . ]" 1
140 1 18 LEU HB2 1 19 LEU H 3.040 2.128 3.952 3.809 3.670 3.955 0.003 4 0 "[ . 1 . ]" 1
141 1 18 LEU MD1 1 19 LEU H 4.500 3.150 5.850 4.475 4.351 4.563 . 0 0 "[ . 1 . ]" 1
142 1 18 LEU MD1 1 22 LEU H 3.920 2.744 5.096 4.180 3.729 4.251 . 0 0 "[ . 1 . ]" 1
143 1 18 LEU MD2 1 87 ILE HA 3.040 2.128 3.952 3.278 2.965 3.305 . 0 0 "[ . 1 . ]" 1
144 1 18 LEU MD2 1 90 ASN HB2 2.950 2.065 3.835 2.897 2.276 3.197 . 0 0 "[ . 1 . ]" 1
145 1 19 LEU H 1 19 LEU HA 2.950 2.065 3.835 2.752 2.725 2.773 . 0 0 "[ . 1 . ]" 1
146 1 19 LEU H 1 19 LEU HB3 2.860 2.002 3.718 3.331 2.691 3.423 . 0 0 "[ . 1 . ]" 1
147 1 19 LEU H 1 19 LEU MD2 4.500 3.150 5.850 3.983 3.906 4.037 . 0 0 "[ . 1 . ]" 1
148 1 19 LEU H 1 20 SER H 3.040 2.128 3.952 3.052 2.918 3.149 . 0 0 "[ . 1 . ]" 1
149 1 19 LEU HA 1 19 LEU HB2 2.860 2.002 3.718 2.868 2.540 2.929 . 0 0 "[ . 1 . ]" 1
150 1 19 LEU HA 1 19 LEU HB3 2.470 . 3.211 2.818 2.753 3.015 . 0 0 "[ . 1 . ]" 1
151 1 19 LEU HA 1 19 LEU MD2 2.130 . 2.769 1.966 1.885 2.059 . 0 0 "[ . 1 . ]" 1
152 1 19 LEU HA 1 19 LEU HG 3.130 2.191 4.069 2.699 2.593 3.610 . 0 0 "[ . 1 . ]" 1
153 1 19 LEU HA 1 20 SER H 3.220 2.254 4.186 3.572 3.569 3.576 . 0 0 "[ . 1 . ]" 1
154 1 19 LEU HA 1 22 LEU H 3.520 2.464 4.576 3.545 3.445 3.740 . 0 0 "[ . 1 . ]" 1
155 1 19 LEU HA 1 22 LEU MD1 2.700 . 3.510 2.366 1.974 2.894 . 0 0 "[ . 1 . ]" 1
156 1 19 LEU HA 1 32 PHE HE1 4.370 3.059 5.681 4.044 3.870 4.155 . 0 0 "[ . 1 . ]" 1
157 1 19 LEU HB2 1 20 SER H 2.860 2.002 3.718 2.775 2.616 3.565 . 0 0 "[ . 1 . ]" 1
158 1 19 LEU MD1 1 30 GLU HA 3.040 2.128 3.952 3.036 2.737 3.303 . 0 0 "[ . 1 . ]" 1
159 1 19 LEU MD2 1 20 SER H 4.020 2.814 5.226 4.105 3.978 4.240 . 0 0 "[ . 1 . ]" 1
160 1 19 LEU MD2 1 21 LEU H 4.990 3.493 6.487 5.383 5.284 5.413 . 0 0 "[ . 1 . ]" 1
161 1 19 LEU MD2 1 22 LEU H 4.470 3.129 5.811 4.387 4.308 4.532 . 0 0 "[ . 1 . ]" 1
162 1 19 LEU MD2 1 22 LEU MD1 3.200 2.240 4.160 2.595 2.306 2.885 . 0 0 "[ . 1 . ]" 1
163 1 19 LEU MD2 1 23 LYS H 3.970 2.779 5.161 4.029 3.663 4.302 . 0 0 "[ . 1 . ]" 1
164 1 19 LEU MD2 1 23 LYS HE3 2.330 . 3.029 2.135 1.833 2.530 . 0 0 "[ . 1 . ]" 1
165 1 19 LEU MD2 1 30 GLU HA 2.550 . 3.315 2.017 1.901 2.442 . 0 0 "[ . 1 . ]" 1
166 1 19 LEU MD2 1 32 PHE HE1 3.280 2.296 4.264 2.085 1.918 2.339 0.378 2 0 "[ . 1 . ]" 1
167 1 19 LEU HG 1 30 GLU HA 3.320 2.324 4.316 4.317 4.214 4.332 0.016 1 0 "[ . 1 . ]" 1
168 1 20 SER H 1 20 SER HA 2.700 . 3.510 2.742 2.725 2.781 . 0 0 "[ . 1 . ]" 1
169 1 20 SER H 1 20 SER HB2 2.590 . 3.367 2.445 2.130 3.391 0.024 15 0 "[ . 1 . ]" 1
170 1 20 SER H 1 21 LEU H 2.950 2.065 3.835 2.912 2.824 2.977 . 0 0 "[ . 1 . ]" 1
171 1 20 SER HA 1 21 LEU H 3.220 2.254 4.186 3.559 3.544 3.573 . 0 0 "[ . 1 . ]" 1
172 1 20 SER HA 1 22 LEU H 4.250 2.975 5.525 4.184 3.947 4.416 . 0 0 "[ . 1 . ]" 1
173 1 20 SER HA 1 23 LYS H 3.320 2.324 4.316 3.056 2.841 3.275 . 0 0 "[ . 1 . ]" 1
174 1 20 SER HA 1 23 LYS HB3 2.630 . 3.419 3.465 3.441 3.476 0.057 10 0 "[ . 1 . ]" 1
175 1 20 SER HA 1 23 LYS HG2 2.860 2.002 3.718 2.618 2.322 2.893 . 0 0 "[ . 1 . ]" 1
176 1 20 SER HA 1 23 LYS HG3 3.040 2.128 3.952 3.260 2.464 4.037 0.085 6 0 "[ . 1 . ]" 1
177 1 20 SER HB3 1 21 LEU H 3.520 2.464 4.576 3.117 2.584 4.015 . 0 0 "[ . 1 . ]" 1
178 1 21 LEU H 1 21 LEU HA 2.700 . 3.510 2.790 2.765 2.813 . 0 0 "[ . 1 . ]" 1
179 1 21 LEU H 1 21 LEU HB3 2.950 2.065 3.835 3.549 3.522 3.574 . 0 0 "[ . 1 . ]" 1
180 1 21 LEU H 1 21 LEU HG 2.780 . 3.614 1.946 1.928 1.974 0.018 18 0 "[ . 1 . ]" 1
181 1 21 LEU H 1 22 LEU H 2.950 2.065 3.835 2.712 2.629 2.854 . 0 0 "[ . 1 . ]" 1
182 1 21 LEU H 1 22 LEU MD2 4.990 3.493 6.487 5.098 4.733 5.407 . 0 0 "[ . 1 . ]" 1
183 1 21 LEU H 1 23 LYS H 4.250 2.975 5.525 4.004 3.881 4.159 . 0 0 "[ . 1 . ]" 1
184 1 21 LEU H 1 69 LEU MD2 4.990 3.493 6.487 5.376 5.193 5.413 . 0 0 "[ . 1 . ]" 1
185 1 21 LEU HA 1 21 LEU HB2 2.860 2.002 3.718 2.974 2.944 2.992 . 0 0 "[ . 1 . ]" 1
186 1 21 LEU HA 1 21 LEU HB3 2.470 . 3.211 2.301 2.264 2.330 . 0 0 "[ . 1 . ]" 1
187 1 21 LEU HA 1 22 LEU H 3.520 2.464 4.576 3.516 3.484 3.552 . 0 0 "[ . 1 . ]" 1
188 1 21 LEU HA 1 24 SER H 3.520 2.464 4.576 3.645 3.565 3.707 . 0 0 "[ . 1 . ]" 1
189 1 21 LEU HA 1 44 TYR QD 3.520 2.464 4.576 2.828 2.542 3.074 . 0 0 "[ . 1 . ]" 1
190 1 21 LEU HA 1 44 TYR QE 3.320 2.324 4.316 2.350 2.297 2.526 0.027 15 0 "[ . 1 . ]" 1
191 1 21 LEU HB3 1 22 LEU H 3.520 2.464 4.576 3.976 3.805 4.102 . 0 0 "[ . 1 . ]" 1
192 1 21 LEU HB3 1 44 TYR QD 3.090 2.163 4.017 2.876 2.756 3.037 . 0 0 "[ . 1 . ]" 1
193 1 21 LEU MD1 1 44 TYR QD 3.820 2.674 4.966 3.756 3.618 3.883 . 0 0 "[ . 1 . ]" 1
194 1 21 LEU MD1 1 44 TYR QE 3.280 2.296 4.264 3.037 2.848 3.330 . 0 0 "[ . 1 . ]" 1
195 1 21 LEU MD1 1 66 LEU H 3.970 2.779 5.161 3.812 3.553 3.981 . 0 0 "[ . 1 . ]" 1
196 1 21 LEU MD1 1 69 LEU MD2 2.630 . 3.419 2.259 1.986 2.374 . 0 0 "[ . 1 . ]" 1
197 1 21 LEU MD1 1 70 PHE H 4.990 3.493 6.487 5.376 5.207 5.418 . 0 0 "[ . 1 . ]" 1
198 1 21 LEU MD2 1 22 LEU H 4.990 3.493 6.487 4.193 4.105 4.280 . 0 0 "[ . 1 . ]" 1
199 1 21 LEU MD2 1 65 PRO HB2 2.950 2.065 3.835 1.901 1.824 1.936 0.241 1 0 "[ . 1 . ]" 1
200 1 21 LEU MD2 1 65 PRO HB3 2.550 . 3.315 2.645 2.474 2.784 . 0 0 "[ . 1 . ]" 1
201 1 21 LEU MD2 1 65 PRO HG3 3.540 2.478 4.602 3.801 3.475 3.846 . 0 0 "[ . 1 . ]" 1
202 1 22 LEU H 1 22 LEU HA 3.130 2.191 4.069 2.860 2.832 2.880 . 0 0 "[ . 1 . ]" 1
203 1 22 LEU H 1 22 LEU HB2 3.320 2.324 4.316 2.625 2.471 2.703 . 0 0 "[ . 1 . ]" 1
204 1 22 LEU H 1 22 LEU HB3 2.950 2.065 3.835 3.606 3.584 3.616 . 0 0 "[ . 1 . ]" 1
205 1 22 LEU H 1 22 LEU HG 2.950 2.065 3.835 2.090 2.046 2.268 0.019 9 0 "[ . 1 . ]" 1
206 1 22 LEU HA 1 22 LEU HB2 2.630 . 3.419 3.020 3.012 3.026 . 0 0 "[ . 1 . ]" 1
207 1 22 LEU HA 1 22 LEU HB3 3.000 2.100 3.900 2.407 2.368 2.480 . 0 0 "[ . 1 . ]" 1
208 1 22 LEU HA 1 22 LEU MD2 2.260 . 2.938 2.273 1.918 2.453 . 0 0 "[ . 1 . ]" 1
209 1 22 LEU HA 1 23 LYS H 3.760 2.632 4.888 3.510 3.479 3.532 . 0 0 "[ . 1 . ]" 1
210 1 22 LEU HA 1 24 SER H 3.520 2.464 4.576 4.105 3.930 4.322 . 0 0 "[ . 1 . ]" 1
211 1 22 LEU HA 1 25 ALA H 3.420 2.394 4.446 2.978 2.910 3.086 . 0 0 "[ . 1 . ]" 1
212 1 22 LEU HA 1 25 ALA MB 2.970 2.079 3.861 1.961 1.908 2.123 0.171 10 0 "[ . 1 . ]" 1
213 1 22 LEU HA 1 40 HIS HB2 3.220 2.254 4.186 3.001 2.563 3.204 . 0 0 "[ . 1 . ]" 1
214 1 22 LEU HA 1 40 HIS HD2 4.000 2.800 5.200 4.389 4.130 4.751 . 0 0 "[ . 1 . ]" 1
215 1 22 LEU HB2 1 32 PHE HE2 4.000 2.800 5.200 5.227 5.209 5.241 0.041 5 0 "[ . 1 . ]" 1
216 1 22 LEU HB3 1 23 LYS H 3.420 2.394 4.446 3.764 3.526 3.966 . 0 0 "[ . 1 . ]" 1
217 1 22 LEU HB3 1 32 PHE HE1 3.320 2.324 4.316 4.348 4.336 4.362 0.046 5 0 "[ . 1 . ]" 1
218 1 22 LEU HB3 1 40 HIS HD2 3.520 2.464 4.576 3.151 2.870 3.434 . 0 0 "[ . 1 . ]" 1
219 1 22 LEU MD1 1 40 HIS HD2 3.040 2.128 3.952 2.928 2.558 3.295 . 0 0 "[ . 1 . ]" 1
220 1 22 LEU MD2 1 23 LYS H 4.990 3.493 6.487 4.580 4.464 4.757 . 0 0 "[ . 1 . ]" 1
221 1 22 LEU MD2 1 25 ALA MB 3.700 2.590 4.810 3.106 2.878 3.215 . 0 0 "[ . 1 . ]" 1
222 1 22 LEU MD2 1 27 ALA MB 3.700 2.590 4.810 3.335 3.220 3.369 . 0 0 "[ . 1 . ]" 1
223 1 22 LEU MD2 1 37 VAL HA 3.450 2.415 4.485 2.587 2.232 2.965 0.183 2 0 "[ . 1 . ]" 1
224 1 22 LEU MD2 1 37 VAL MG1 2.830 . 3.679 2.503 2.241 2.559 . 0 0 "[ . 1 . ]" 1
225 1 22 LEU MD2 1 40 HIS H 4.000 2.800 5.200 3.776 3.458 4.029 . 0 0 "[ . 1 . ]" 1
226 1 22 LEU MD2 1 40 HIS HB3 3.470 2.429 4.511 2.943 2.753 3.122 . 0 0 "[ . 1 . ]" 1
227 1 22 LEU MD2 1 41 LEU MD1 3.330 2.331 4.329 2.593 2.298 3.017 0.033 17 0 "[ . 1 . ]" 1
228 1 23 LYS H 1 23 LYS HA 2.950 2.065 3.835 2.759 2.723 2.785 . 0 0 "[ . 1 . ]" 1
229 1 23 LYS H 1 23 LYS HD2 3.520 2.464 4.576 3.568 2.408 4.445 0.056 6 0 "[ . 1 . ]" 1
230 1 23 LYS H 1 23 LYS HG2 3.040 2.128 3.952 2.913 2.149 4.018 0.066 6 0 "[ . 1 . ]" 1
231 1 23 LYS H 1 24 SER H 2.950 2.065 3.835 2.775 2.675 2.892 . 0 0 "[ . 1 . ]" 1
232 1 23 LYS H 1 27 ALA MB 3.540 2.478 4.602 3.363 3.223 3.562 . 0 0 "[ . 1 . ]" 1
233 1 23 LYS HA 1 23 LYS HD2 2.780 . 3.614 2.427 2.132 3.332 . 0 0 "[ . 1 . ]" 1
234 1 23 LYS HA 1 23 LYS HG2 2.950 2.065 3.835 3.321 3.041 3.672 . 0 0 "[ . 1 . ]" 1
235 1 23 LYS HA 1 24 SER H 3.040 2.128 3.952 3.518 3.494 3.542 . 0 0 "[ . 1 . ]" 1
236 1 23 LYS HA 1 25 ALA H 3.320 2.324 4.316 4.296 4.184 4.323 0.007 14 0 "[ . 1 . ]" 1
237 1 23 LYS HA 1 26 GLY H 3.220 2.254 4.186 4.182 4.072 4.205 0.019 3 0 "[ . 1 . ]" 1
238 1 23 LYS HA 1 27 ALA H 2.700 . 3.510 3.036 2.846 3.521 0.011 1 0 "[ . 1 . ]" 1
239 1 23 LYS HA 1 27 ALA MB 2.550 . 3.315 2.735 2.467 2.786 . 0 0 "[ . 1 . ]" 1
240 1 23 LYS HB2 1 27 ALA MB 4.520 3.164 5.876 4.805 4.616 4.901 . 0 0 "[ . 1 . ]" 1
241 1 23 LYS HB3 1 24 SER H 2.700 . 3.510 3.490 3.307 3.533 0.023 2 0 "[ . 1 . ]" 1
242 1 23 LYS HD2 1 27 ALA MB 3.720 2.604 4.836 3.588 2.479 4.038 0.125 9 0 "[ . 1 . ]" 1
243 1 23 LYS HD2 1 32 PHE HZ 4.990 3.493 6.487 4.503 3.725 5.388 . 0 0 "[ . 1 . ]" 1
244 1 23 LYS HE3 1 32 PHE HE1 3.220 2.254 4.186 3.877 3.112 4.193 0.007 5 0 "[ . 1 . ]" 1
245 1 23 LYS HG3 1 24 SER H 4.990 3.493 6.487 5.086 4.898 5.203 . 0 0 "[ . 1 . ]" 1
246 1 24 SER H 1 24 SER HA 2.700 . 3.510 2.908 2.892 2.920 . 0 0 "[ . 1 . ]" 1
247 1 24 SER H 1 24 SER HB2 2.700 . 3.510 2.218 2.139 2.307 . 0 0 "[ . 1 . ]" 1
248 1 24 SER H 1 24 SER HB3 3.040 2.128 3.952 3.175 3.010 3.334 . 0 0 "[ . 1 . ]" 1
249 1 24 SER H 1 25 ALA H 3.130 2.191 4.069 2.265 2.191 2.363 . 0 0 "[ . 1 . ]" 1
250 1 24 SER HA 1 25 ALA H 3.220 2.254 4.186 3.445 3.428 3.453 . 0 0 "[ . 1 . ]" 1
251 1 24 SER HB2 1 25 ALA H 3.320 2.324 4.316 3.570 3.453 3.716 . 0 0 "[ . 1 . ]" 1
252 1 24 SER HB2 1 44 TYR QE 3.220 2.254 4.186 4.159 3.854 4.181 . 0 0 "[ . 1 . ]" 1
253 1 24 SER HB3 1 25 ALA H 3.220 2.254 4.186 3.346 3.213 3.542 . 0 0 "[ . 1 . ]" 1
254 1 24 SER HB3 1 44 TYR QE 3.220 2.254 4.186 4.126 3.804 4.179 . 0 0 "[ . 1 . ]" 1
255 1 25 ALA H 1 25 ALA HA 2.950 2.065 3.835 2.879 2.860 2.899 . 0 0 "[ . 1 . ]" 1
256 1 25 ALA H 1 27 ALA H 3.520 2.464 4.576 3.627 3.347 3.828 . 0 0 "[ . 1 . ]" 1
257 1 25 ALA H 1 44 TYR HA 4.000 2.800 5.200 4.978 4.766 5.202 0.002 1 0 "[ . 1 . ]" 1
258 1 25 ALA HA 1 26 GLY H 3.220 2.254 4.186 3.283 3.206 3.384 . 0 0 "[ . 1 . ]" 1
259 1 25 ALA HA 1 44 TYR QD 4.250 2.975 5.525 4.243 3.828 4.534 . 0 0 "[ . 1 . ]" 1
260 1 25 ALA MB 1 26 GLY H 3.540 2.478 4.602 3.315 3.139 3.428 . 0 0 "[ . 1 . ]" 1
261 1 25 ALA MB 1 40 HIS HA 3.700 2.590 4.810 2.754 2.474 3.148 0.116 9 0 "[ . 1 . ]" 1
262 1 25 ALA MB 1 40 HIS HB2 2.550 . 3.315 2.798 2.779 2.813 . 0 0 "[ . 1 . ]" 1
263 1 25 ALA MB 1 43 GLN H 4.040 2.828 5.252 3.971 3.732 4.134 . 0 0 "[ . 1 . ]" 1
264 1 25 ALA MB 1 44 TYR H 3.220 2.254 4.186 3.026 2.835 3.169 . 0 0 "[ . 1 . ]" 1
265 1 25 ALA MB 1 44 TYR HA 2.630 . 3.419 2.769 2.575 2.862 . 0 0 "[ . 1 . ]" 1
266 1 25 ALA MB 1 44 TYR HB3 3.860 2.702 5.018 3.433 3.336 3.590 . 0 0 "[ . 1 . ]" 1
267 1 25 ALA MB 1 44 TYR QD 3.200 2.240 4.160 2.874 2.595 3.068 . 0 0 "[ . 1 . ]" 1
268 1 25 ALA MB 1 44 TYR QE 4.780 3.346 6.214 4.858 4.632 5.003 . 0 0 "[ . 1 . ]" 1
269 1 26 GLY H 1 26 GLY HA2 2.950 2.065 3.835 2.412 2.366 2.458 . 0 0 "[ . 1 . ]" 1
270 1 26 GLY H 1 26 GLY HA3 2.860 2.002 3.718 2.944 2.928 2.956 . 0 0 "[ . 1 . ]" 1
271 1 26 GLY H 1 27 ALA H 2.780 . 3.614 2.122 1.991 2.256 . 0 0 "[ . 1 . ]" 1
272 1 26 GLY HA2 1 27 ALA H 3.320 2.324 4.316 2.931 2.844 3.352 . 0 0 "[ . 1 . ]" 1
273 1 26 GLY HA3 1 27 ALA H 3.420 2.394 4.446 3.481 3.202 3.529 . 0 0 "[ . 1 . ]" 1
274 1 27 ALA H 1 27 ALA HA 2.860 2.002 3.718 2.932 2.855 2.943 . 0 0 "[ . 1 . ]" 1
275 1 27 ALA HA 1 28 GLN H 3.520 2.464 4.576 2.339 2.334 2.344 0.130 7 0 "[ . 1 . ]" 1
276 1 27 ALA HA 1 32 PHE HE2 3.520 2.464 4.576 2.895 2.467 3.109 . 0 0 "[ . 1 . ]" 1
277 1 27 ALA HA 1 40 HIS HE1 3.220 2.254 4.186 4.099 3.784 4.202 0.016 5 0 "[ . 1 . ]" 1
278 1 27 ALA MB 1 32 PHE HE2 2.550 . 3.315 2.131 1.892 2.351 . 0 0 "[ . 1 . ]" 1
279 1 27 ALA MB 1 40 HIS HD2 3.780 2.646 4.914 3.517 2.846 3.968 . 0 0 "[ . 1 . ]" 1
280 1 27 ALA MB 1 40 HIS HE1 3.720 2.604 4.836 3.979 3.832 4.044 . 0 0 "[ . 1 . ]" 1
281 1 28 GLN H 1 28 GLN HA 3.520 2.464 4.576 2.945 2.941 2.946 . 0 0 "[ . 1 . ]" 1
282 1 28 GLN HA 1 28 GLN HB2 2.470 . 3.211 2.863 2.535 3.025 . 0 0 "[ . 1 . ]" 1
283 1 28 GLN HA 1 28 GLN HB3 3.060 2.142 3.978 2.745 2.432 3.017 . 0 0 "[ . 1 . ]" 1
284 1 28 GLN HA 1 28 GLN HE21 4.500 3.150 5.850 4.035 3.152 4.815 . 0 0 "[ . 1 . ]" 1
285 1 28 GLN HA 1 28 GLN HE22 4.000 2.800 5.200 4.508 3.432 5.149 . 0 0 "[ . 1 . ]" 1
286 1 28 GLN HA 1 28 GLN HG2 3.220 2.254 4.186 3.009 2.251 3.632 0.003 7 0 "[ . 1 . ]" 1
287 1 28 GLN HA 1 28 GLN HG3 2.950 2.065 3.835 3.093 2.080 3.831 . 0 0 "[ . 1 . ]" 1
288 1 28 GLN HA 1 29 LYS H 3.130 2.191 4.069 3.518 3.064 3.574 . 0 0 "[ . 1 . ]" 1
289 1 29 LYS H 1 29 LYS HA 2.780 . 3.614 2.792 2.739 2.930 . 0 0 "[ . 1 . ]" 1
290 1 29 LYS H 1 29 LYS HB2 2.950 2.065 3.835 3.620 3.584 3.842 0.007 2 0 "[ . 1 . ]" 1
291 1 29 LYS H 1 29 LYS HB3 3.220 2.254 4.186 2.711 2.499 3.409 . 0 0 "[ . 1 . ]" 1
292 1 29 LYS H 1 29 LYS HG2 3.220 2.254 4.186 2.652 2.292 2.981 . 0 0 "[ . 1 . ]" 1
293 1 29 LYS H 1 30 GLU H 4.500 3.150 5.850 4.572 4.400 4.631 . 0 0 "[ . 1 . ]" 1
294 1 29 LYS HA 1 29 LYS HB2 2.630 . 3.419 2.504 2.441 2.534 . 0 0 "[ . 1 . ]" 1
295 1 29 LYS HA 1 29 LYS HB3 2.700 . 3.510 2.392 2.368 2.452 . 0 0 "[ . 1 . ]" 1
296 1 29 LYS HA 1 29 LYS HD2 3.320 2.324 4.316 4.073 3.771 4.324 0.008 1 0 "[ . 1 . ]" 1
297 1 29 LYS HA 1 29 LYS HG2 3.520 2.464 4.576 3.624 3.585 3.718 . 0 0 "[ . 1 . ]" 1
298 1 29 LYS HA 1 30 GLU H 2.700 . 3.510 2.569 2.465 2.596 . 0 0 "[ . 1 . ]" 1
299 1 29 LYS HB2 1 31 THR H 2.950 2.065 3.835 2.606 2.552 2.681 . 0 0 "[ . 1 . ]" 1
300 1 29 LYS HB3 1 30 GLU H 2.950 2.065 3.835 3.512 3.456 3.588 . 0 0 "[ . 1 . ]" 1
301 1 29 LYS HB3 1 31 THR H 3.320 2.324 4.316 4.327 4.289 4.335 0.019 4 0 "[ . 1 . ]" 1
302 1 29 LYS HE2 1 30 GLU H 4.990 3.493 6.487 6.143 5.896 6.482 . 0 0 "[ . 1 . ]" 1
303 1 29 LYS HE2 1 32 PHE HA 3.220 2.254 4.186 3.485 3.089 4.178 . 0 0 "[ . 1 . ]" 1
304 1 29 LYS HE2 1 32 PHE HD2 2.950 2.065 3.835 2.578 2.284 3.045 . 0 0 "[ . 1 . ]" 1
305 1 29 LYS HE2 1 33 THR H 4.250 2.975 5.525 4.844 4.342 5.461 . 0 0 "[ . 1 . ]" 1
306 1 29 LYS HE3 1 32 PHE HD2 3.220 2.254 4.186 4.138 3.889 4.195 0.009 11 0 "[ . 1 . ]" 1
307 1 29 LYS HG2 1 31 THR H 2.950 2.065 3.835 3.595 3.119 3.841 0.006 6 0 "[ . 1 . ]" 1
308 1 29 LYS HG3 1 31 THR H 3.320 2.324 4.316 3.301 3.054 3.626 . 0 0 "[ . 1 . ]" 1
309 1 30 GLU H 1 30 GLU HA 2.990 2.093 3.887 2.925 2.904 2.936 . 0 0 "[ . 1 . ]" 1
310 1 30 GLU H 1 30 GLU HB2 3.220 2.254 4.186 3.013 2.252 3.688 0.002 12 0 "[ . 1 . ]" 1
311 1 30 GLU H 1 30 GLU HB3 2.950 2.065 3.835 3.307 2.782 3.701 . 0 0 "[ . 1 . ]" 1
312 1 30 GLU H 1 30 GLU HG2 3.040 2.128 3.952 2.761 2.126 3.945 0.002 5 0 "[ . 1 . ]" 1
313 1 30 GLU H 1 31 THR H 2.700 . 3.510 2.169 2.097 2.297 . 0 0 "[ . 1 . ]" 1
314 1 30 GLU HA 1 30 GLU HB2 2.470 . 3.211 2.775 2.436 3.024 . 0 0 "[ . 1 . ]" 1
315 1 30 GLU HA 1 30 GLU HB3 3.080 2.156 4.004 2.451 2.375 2.637 . 0 0 "[ . 1 . ]" 1
316 1 30 GLU HA 1 31 THR H 3.220 2.254 4.186 3.482 3.458 3.498 . 0 0 "[ . 1 . ]" 1
317 1 30 GLU HA 1 32 PHE HE1 2.860 2.002 3.718 2.957 2.767 3.279 . 0 0 "[ . 1 . ]" 1
318 1 30 GLU HB3 1 31 THR H 3.220 2.254 4.186 3.991 3.628 4.143 . 0 0 "[ . 1 . ]" 1
319 1 31 THR H 1 31 THR HB 3.520 2.464 4.576 3.038 3.008 3.069 . 0 0 "[ . 1 . ]" 1
320 1 31 THR HB 1 32 PHE H 3.220 2.254 4.186 3.394 3.219 3.615 . 0 0 "[ . 1 . ]" 1
321 1 31 THR HB 1 32 PHE HD1 4.000 2.800 5.200 5.212 5.173 5.227 0.027 3 0 "[ . 1 . ]" 1
322 1 31 THR MG 1 32 PHE H 4.320 3.024 5.616 2.570 2.507 2.716 0.517 9 10 "[* * .-**+1 * ** *]" 1
323 1 31 THR MG 1 33 THR H 4.990 3.493 6.487 5.409 5.372 5.430 . 0 0 "[ . 1 . ]" 1
324 1 32 PHE H 1 32 PHE HA 3.420 2.394 4.446 2.910 2.882 2.942 . 0 0 "[ . 1 . ]" 1
325 1 32 PHE H 1 32 PHE HB3 3.420 2.394 4.446 3.931 3.829 3.990 . 0 0 "[ . 1 . ]" 1
326 1 32 PHE H 1 32 PHE HD1 3.130 2.191 4.069 2.840 2.346 3.121 . 0 0 "[ . 1 . ]" 1
327 1 32 PHE HA 1 32 PHE HB2 3.520 2.464 4.576 3.022 3.013 3.025 . 0 0 "[ . 1 . ]" 1
328 1 32 PHE HA 1 32 PHE HB3 3.220 2.254 4.186 2.424 2.382 2.449 . 0 0 "[ . 1 . ]" 1
329 1 32 PHE HA 1 32 PHE HD2 3.520 2.464 4.576 3.269 3.128 3.465 . 0 0 "[ . 1 . ]" 1
330 1 32 PHE HA 1 36 GLU H 4.990 3.493 6.487 5.560 5.414 5.820 . 0 0 "[ . 1 . ]" 1
331 1 32 PHE HB2 1 32 PHE HD2 2.860 2.002 3.718 3.582 3.523 3.623 . 0 0 "[ . 1 . ]" 1
332 1 32 PHE HB2 1 36 GLU HB2 3.520 2.464 4.576 3.567 3.421 3.762 . 0 0 "[ . 1 . ]" 1
333 1 32 PHE HB3 1 32 PHE HD1 3.040 2.128 3.952 3.692 3.669 3.717 . 0 0 "[ . 1 . ]" 1
334 1 32 PHE HB3 1 33 THR H 4.000 2.800 5.200 2.833 2.771 2.923 0.029 5 0 "[ . 1 . ]" 1
335 1 32 PHE HB3 1 37 VAL MG2 2.260 . 2.938 2.362 2.209 2.459 . 0 0 "[ . 1 . ]" 1
336 1 32 PHE HD2 1 36 GLU HA 4.000 2.800 5.200 5.224 5.214 5.236 0.036 13 0 "[ . 1 . ]" 1
337 1 32 PHE HD2 1 36 GLU HB2 3.040 2.128 3.952 3.090 2.952 3.391 . 0 0 "[ . 1 . ]" 1
338 1 32 PHE HD2 1 36 GLU HB3 2.950 2.065 3.835 2.916 2.700 3.074 . 0 0 "[ . 1 . ]" 1
339 1 32 PHE HD2 1 37 VAL HA 4.990 3.493 6.487 4.988 4.682 5.218 . 0 0 "[ . 1 . ]" 1
340 1 33 THR H 1 33 THR HA 3.420 2.394 4.446 2.878 2.875 2.882 . 0 0 "[ . 1 . ]" 1
341 1 33 THR H 1 33 THR MG 2.550 . 3.315 2.592 1.943 2.776 . 0 0 "[ . 1 . ]" 1
342 1 33 THR H 1 36 GLU HB2 4.000 2.800 5.200 2.774 2.753 2.787 0.047 17 0 "[ . 1 . ]" 1
343 1 33 THR H 1 36 GLU HB3 3.520 2.464 4.576 4.256 4.183 4.349 . 0 0 "[ . 1 . ]" 1
344 1 33 THR H 1 37 VAL MG2 4.040 2.828 5.252 3.479 3.256 3.677 . 0 0 "[ . 1 . ]" 1
345 1 33 THR HA 1 34 MET H 3.220 2.254 4.186 2.301 2.251 2.341 0.003 7 0 "[ . 1 . ]" 1
346 1 33 THR HA 1 35 LYS H 4.500 3.150 5.850 4.159 4.038 4.456 . 0 0 "[ . 1 . ]" 1
347 1 33 THR MG 1 34 MET H 4.990 3.493 6.487 3.732 3.535 4.087 . 0 0 "[ . 1 . ]" 1
348 1 33 THR MG 1 35 LYS H 4.990 3.493 6.487 4.329 4.202 4.648 . 0 0 "[ . 1 . ]" 1
349 1 33 THR MG 1 36 GLU H 4.500 3.150 5.850 4.448 4.100 4.609 . 0 0 "[ . 1 . ]" 1
350 1 34 MET H 1 34 MET ME 4.990 3.493 6.487 4.440 4.046 5.260 . 0 0 "[ . 1 . ]" 1
351 1 34 MET H 1 34 MET HG3 3.220 2.254 4.186 3.985 3.036 4.264 0.078 15 0 "[ . 1 . ]" 1
352 1 34 MET HA 1 34 MET ME 2.700 . 3.510 2.641 2.225 3.392 . 0 0 "[ . 1 . ]" 1
353 1 34 MET HA 1 34 MET HG3 2.820 . 3.666 2.492 2.126 3.172 . 0 0 "[ . 1 . ]" 1
354 1 34 MET HA 1 35 LYS H 3.220 2.254 4.186 3.509 3.477 3.566 . 0 0 "[ . 1 . ]" 1
355 1 34 MET HA 1 37 VAL H 3.730 2.611 4.849 3.651 3.442 3.809 . 0 0 "[ . 1 . ]" 1
356 1 34 MET HA 1 37 VAL HB 2.780 . 3.614 2.616 2.277 2.767 . 0 0 "[ . 1 . ]" 1
357 1 34 MET HA 1 37 VAL MG2 3.200 2.240 4.160 2.385 2.032 2.665 0.208 11 0 "[ . 1 . ]" 1
358 1 34 MET HB3 1 35 LYS H 3.040 2.128 3.952 3.063 2.704 3.234 . 0 0 "[ . 1 . ]" 1
359 1 34 MET ME 1 38 LEU H 3.320 2.324 4.316 4.125 3.965 4.162 . 0 0 "[ . 1 . ]" 1
360 1 34 MET ME 1 84 TYR HA 3.630 2.541 4.719 4.023 2.499 4.474 0.042 14 0 "[ . 1 . ]" 1
361 1 34 MET ME 1 87 ILE MD 2.630 . 3.419 1.814 1.656 2.185 0.185 14 0 "[ . 1 . ]" 1
362 1 34 MET HG2 1 38 LEU QD 4.700 3.290 6.110 4.310 3.898 4.724 . 0 0 "[ . 1 . ]" 1
363 1 34 MET HG3 1 37 VAL H 4.990 3.493 6.487 5.894 5.229 6.497 0.010 8 0 "[ . 1 . ]" 1
364 1 34 MET HG3 1 37 VAL MG2 4.040 2.828 5.252 4.353 4.127 4.406 . 0 0 "[ . 1 . ]" 1
365 1 35 LYS H 1 35 LYS HA 2.840 . 3.692 2.837 2.784 2.863 . 0 0 "[ . 1 . ]" 1
366 1 35 LYS H 1 35 LYS HB2 2.950 2.065 3.835 2.219 2.069 2.540 . 0 0 "[ . 1 . ]" 1
367 1 35 LYS H 1 35 LYS HB3 2.950 2.065 3.835 3.135 2.814 3.606 . 0 0 "[ . 1 . ]" 1
368 1 35 LYS H 1 36 GLU H 3.520 2.464 4.576 2.698 2.568 3.015 . 0 0 "[ . 1 . ]" 1
369 1 35 LYS HA 1 35 LYS HB2 2.780 . 3.614 2.785 2.609 3.027 . 0 0 "[ . 1 . ]" 1
370 1 35 LYS HA 1 35 LYS HB3 2.400 . 3.120 2.860 2.479 2.998 . 0 0 "[ . 1 . ]" 1
371 1 35 LYS HA 1 35 LYS HD2 2.950 2.065 3.835 3.004 2.022 3.825 0.043 11 0 "[ . 1 . ]" 1
372 1 35 LYS HA 1 35 LYS HD3 2.780 . 3.614 2.924 1.944 3.676 0.062 5 0 "[ . 1 . ]" 1
373 1 35 LYS HA 1 35 LYS HE2 2.780 . 3.614 3.053 2.107 3.703 0.089 11 0 "[ . 1 . ]" 1
374 1 35 LYS HA 1 36 GLU H 3.220 2.254 4.186 3.565 3.542 3.583 . 0 0 "[ . 1 . ]" 1
375 1 35 LYS HA 1 38 LEU H 3.520 2.464 4.576 4.041 3.770 4.492 . 0 0 "[ . 1 . ]" 1
376 1 35 LYS HA 1 38 LEU HB3 2.860 2.002 3.718 3.753 3.721 3.770 0.052 11 0 "[ . 1 . ]" 1
377 1 35 LYS HA 1 39 TYR H 4.160 2.912 5.408 4.352 4.200 4.508 . 0 0 "[ . 1 . ]" 1
378 1 35 LYS HB2 1 35 LYS HE3 2.950 2.065 3.835 3.456 2.622 3.864 0.029 12 0 "[ . 1 . ]" 1
379 1 35 LYS HB2 1 36 GLU H 2.630 . 3.419 3.125 2.422 3.439 0.020 12 0 "[ . 1 . ]" 1
380 1 35 LYS HB3 1 35 LYS HE2 3.040 2.128 3.952 3.577 2.275 3.983 0.031 4 0 "[ . 1 . ]" 1
381 1 36 GLU H 1 36 GLU HA 2.950 2.065 3.835 2.828 2.776 2.872 . 0 0 "[ . 1 . ]" 1
382 1 36 GLU H 1 36 GLU HB2 3.520 2.464 4.576 2.670 2.441 2.754 0.023 17 0 "[ . 1 . ]" 1
383 1 36 GLU H 1 36 GLU HB3 3.040 2.128 3.952 3.596 3.583 3.607 . 0 0 "[ . 1 . ]" 1
384 1 36 GLU H 1 36 GLU HG2 3.040 2.128 3.952 2.225 2.113 3.893 0.015 10 0 "[ . 1 . ]" 1
385 1 36 GLU H 1 36 GLU HG3 3.520 2.464 4.576 2.965 2.609 3.640 . 0 0 "[ . 1 . ]" 1
386 1 36 GLU H 1 37 VAL H 3.420 2.394 4.446 2.653 2.480 2.834 . 0 0 "[ . 1 . ]" 1
387 1 36 GLU H 1 37 VAL MG2 4.520 3.164 5.876 3.863 3.685 4.046 . 0 0 "[ . 1 . ]" 1
388 1 36 GLU HA 1 36 GLU HB3 2.950 2.065 3.835 2.394 2.346 2.538 . 0 0 "[ . 1 . ]" 1
389 1 36 GLU HA 1 36 GLU HG2 2.950 2.065 3.835 2.860 2.629 3.589 . 0 0 "[ . 1 . ]" 1
390 1 36 GLU HA 1 37 VAL H 3.320 2.324 4.316 3.548 3.535 3.561 . 0 0 "[ . 1 . ]" 1
391 1 36 GLU HA 1 39 TYR H 2.950 2.065 3.835 3.419 3.257 3.594 . 0 0 "[ . 1 . ]" 1
392 1 36 GLU HA 1 39 TYR HB2 2.950 2.065 3.835 2.929 2.554 3.216 . 0 0 "[ . 1 . ]" 1
393 1 36 GLU HA 1 39 TYR HB3 3.220 2.254 4.186 2.347 2.251 2.596 0.003 14 0 "[ . 1 . ]" 1
394 1 36 GLU HA 1 39 TYR QD 3.520 2.464 4.576 3.861 3.400 4.128 . 0 0 "[ . 1 . ]" 1
395 1 36 GLU HA 1 40 HIS H 3.520 2.464 4.576 3.899 3.767 4.027 . 0 0 "[ . 1 . ]" 1
396 1 36 GLU HB2 1 40 HIS HD2 4.990 3.493 6.487 4.285 3.934 4.743 . 0 0 "[ . 1 . ]" 1
397 1 36 GLU HB3 1 37 VAL H 3.220 2.254 4.186 3.716 3.418 3.884 . 0 0 "[ . 1 . ]" 1
398 1 37 VAL H 1 37 VAL HA 2.700 . 3.510 2.777 2.763 2.795 . 0 0 "[ . 1 . ]" 1
399 1 37 VAL H 1 37 VAL MG2 2.470 . 3.211 1.876 1.831 1.917 . 0 0 "[ . 1 . ]" 1
400 1 37 VAL HA 1 37 VAL MG1 2.260 . 2.938 2.251 2.130 2.372 . 0 0 "[ . 1 . ]" 1
401 1 37 VAL HA 1 40 HIS H 3.520 2.464 4.576 3.817 3.620 4.033 . 0 0 "[ . 1 . ]" 1
402 1 37 VAL HA 1 40 HIS HB2 3.750 2.625 4.875 3.988 3.677 4.276 . 0 0 "[ . 1 . ]" 1
403 1 37 VAL HA 1 40 HIS HE1 4.990 3.493 6.487 5.941 5.165 6.489 0.002 12 0 "[ . 1 . ]" 1
404 1 37 VAL MG1 1 38 LEU H 3.220 2.254 4.186 3.305 3.083 3.495 . 0 0 "[ . 1 . ]" 1
405 1 37 VAL MG1 1 40 HIS H 4.990 3.493 6.487 5.033 4.801 5.219 . 0 0 "[ . 1 . ]" 1
406 1 38 LEU H 1 38 LEU HA 2.860 2.002 3.718 2.795 2.743 2.836 . 0 0 "[ . 1 . ]" 1
407 1 38 LEU H 1 38 LEU HB3 3.130 2.191 4.069 3.024 2.365 3.209 . 0 0 "[ . 1 . ]" 1
408 1 38 LEU H 1 39 TYR H 3.130 2.191 4.069 2.674 2.558 2.794 . 0 0 "[ . 1 . ]" 1
409 1 38 LEU HA 1 38 LEU HB2 2.950 2.065 3.835 2.720 2.374 2.832 . 0 0 "[ . 1 . ]" 1
410 1 38 LEU HA 1 38 LEU HB3 3.130 2.191 4.069 2.934 2.867 3.018 . 0 0 "[ . 1 . ]" 1
411 1 38 LEU HA 1 39 TYR H 3.520 2.464 4.576 3.444 3.401 3.477 . 0 0 "[ . 1 . ]" 1
412 1 38 LEU HA 1 41 LEU H 3.520 2.464 4.576 3.780 3.459 3.913 . 0 0 "[ . 1 . ]" 1
413 1 38 LEU HA 2 1 IMY H14 3.780 2.646 4.914 4.349 3.698 5.389 0.475 14 0 "[ . 1 . ]" 1
414 1 38 LEU HA 2 1 IMY H15 3.420 2.394 4.446 3.826 3.325 4.697 0.251 14 0 "[ . 1 . ]" 1
415 1 38 LEU HB3 1 39 TYR H 3.220 2.254 4.186 3.221 3.006 3.508 . 0 0 "[ . 1 . ]" 1
416 1 38 LEU QD 1 39 TYR H 4.990 3.493 6.487 4.026 2.983 4.297 0.510 10 1 "[ . + . ]" 1
417 1 38 LEU QD 1 84 TYR H 4.990 3.493 6.487 4.436 4.057 5.090 . 0 0 "[ . 1 . ]" 1
418 1 38 LEU QD 1 84 TYR HD2 4.220 2.954 5.486 3.920 2.145 5.916 0.809 3 4 "[ +*. * 1 . -]" 1
419 1 38 LEU QD 1 84 TYR HE2 4.990 3.493 6.487 4.104 2.780 6.257 0.713 17 5 "[ * .*- 1 . +*]" 1
420 1 38 LEU QD 2 1 IMY H14 3.780 2.646 4.914 2.438 1.791 3.491 0.855 17 3 "[ *. 1 - . + ]" 1
421 1 38 LEU QD 2 1 IMY H15 3.280 2.296 4.264 2.673 2.339 3.133 . 0 0 "[ . 1 . ]" 1
422 1 38 LEU QD 2 1 IMY H20 3.470 2.590 4.511 2.502 1.769 3.428 0.821 17 3 "[ -. 1 * . + ]" 1
423 1 38 LEU QD 2 1 IMY H21 2.700 . 3.510 1.755 0.671 2.310 1.310 17 3 "[ *-. 1 . + ]" 1
424 1 38 LEU HG 1 39 TYR H 4.000 2.800 5.200 5.166 4.281 5.242 0.042 16 0 "[ . 1 . ]" 1
425 1 39 TYR H 1 39 TYR HA 2.900 2.030 3.770 2.859 2.818 2.887 . 0 0 "[ . 1 . ]" 1
426 1 39 TYR H 1 39 TYR HB2 2.950 2.065 3.835 2.608 2.405 2.706 . 0 0 "[ . 1 . ]" 1
427 1 39 TYR H 1 39 TYR HB3 3.040 2.128 3.952 2.521 2.426 2.754 . 0 0 "[ . 1 . ]" 1
428 1 39 TYR H 1 39 TYR QD 4.990 3.493 6.487 4.205 4.154 4.235 . 0 0 "[ . 1 . ]" 1
429 1 39 TYR H 1 40 HIS H 3.520 2.464 4.576 2.722 2.620 2.820 . 0 0 "[ . 1 . ]" 1
430 1 39 TYR HA 1 39 TYR HB2 2.780 . 3.614 2.464 2.408 2.588 . 0 0 "[ . 1 . ]" 1
431 1 39 TYR HA 1 39 TYR HB3 2.780 . 3.614 3.023 3.005 3.027 . 0 0 "[ . 1 . ]" 1
432 1 39 TYR HA 1 39 TYR QD 2.700 . 3.510 2.796 2.352 3.162 . 0 0 "[ . 1 . ]" 1
433 1 39 TYR HA 1 40 HIS H 3.470 2.429 4.511 3.591 3.582 3.597 . 0 0 "[ . 1 . ]" 1
434 1 39 TYR HA 1 42 GLY H 3.520 2.464 4.576 3.687 3.599 3.773 . 0 0 "[ . 1 . ]" 1
435 1 39 TYR HB2 1 39 TYR QD 3.220 2.254 4.186 2.455 2.311 2.647 . 0 0 "[ . 1 . ]" 1
436 1 39 TYR HB2 1 40 HIS H 3.220 2.254 4.186 3.725 3.557 3.772 . 0 0 "[ . 1 . ]" 1
437 1 39 TYR HB3 1 39 TYR QD 3.220 2.254 4.186 2.371 2.279 2.517 . 0 0 "[ . 1 . ]" 1
438 1 39 TYR HB3 1 40 HIS H 3.320 2.324 4.316 2.307 2.299 2.327 0.025 1 0 "[ . 1 . ]" 1
439 1 39 TYR QD 1 40 HIS H 2.950 2.065 3.835 3.122 2.563 3.640 . 0 0 "[ . 1 . ]" 1
440 1 39 TYR HE2 1 43 GLN HG3 4.000 2.800 5.200 4.945 3.547 6.175 0.975 8 4 "[* . + 1 *.- ]" 1
441 1 40 HIS H 1 40 HIS HA 2.820 . 3.666 2.791 2.756 2.839 . 0 0 "[ . 1 . ]" 1
442 1 40 HIS H 1 40 HIS HB2 3.220 2.254 4.186 2.888 2.842 2.953 . 0 0 "[ . 1 . ]" 1
443 1 40 HIS H 1 40 HIS HB3 3.040 2.128 3.952 3.578 3.565 3.593 . 0 0 "[ . 1 . ]" 1
444 1 40 HIS HA 1 40 HIS HB2 2.470 . 3.211 2.999 2.991 3.011 . 0 0 "[ . 1 . ]" 1
445 1 40 HIS HA 1 40 HIS HB3 3.000 2.100 3.900 2.331 2.315 2.358 . 0 0 "[ . 1 . ]" 1
446 1 40 HIS HA 1 41 LEU H 3.370 2.359 4.381 3.534 3.483 3.557 . 0 0 "[ . 1 . ]" 1
447 1 40 HIS HA 1 43 GLN H 3.220 2.254 4.186 3.279 3.210 3.354 . 0 0 "[ . 1 . ]" 1
448 1 40 HIS HA 1 43 GLN HG3 3.220 2.254 4.186 3.158 2.509 4.057 . 0 0 "[ . 1 . ]" 1
449 1 40 HIS HB2 1 41 LEU H 3.520 2.464 4.576 2.708 2.561 2.981 . 0 0 "[ . 1 . ]" 1
450 1 40 HIS HB3 1 41 LEU H 3.220 2.254 4.186 3.964 3.864 4.150 . 0 0 "[ . 1 . ]" 1
451 1 41 LEU H 1 41 LEU HA 2.950 2.065 3.835 2.742 2.707 2.808 . 0 0 "[ . 1 . ]" 1
452 1 41 LEU H 1 41 LEU HB2 2.780 . 3.614 2.182 2.009 2.623 . 0 0 "[ . 1 . ]" 1
453 1 41 LEU H 1 41 LEU HB3 2.860 2.002 3.718 3.085 2.335 3.592 . 0 0 "[ . 1 . ]" 1
454 1 41 LEU H 1 41 LEU MD1 4.320 3.024 5.616 3.066 2.589 4.089 0.435 18 0 "[ . 1 . ]" 1
455 1 41 LEU H 1 41 LEU HG 3.220 2.254 4.186 4.317 4.086 4.389 0.203 14 0 "[ . 1 . ]" 1
456 1 41 LEU H 1 42 GLY H 2.950 2.065 3.835 2.875 2.616 2.987 . 0 0 "[ . 1 . ]" 1
457 1 41 LEU HA 1 41 LEU HB2 2.950 2.065 3.835 2.745 2.384 3.005 . 0 0 "[ . 1 . ]" 1
458 1 41 LEU HA 1 41 LEU HB3 2.630 . 3.419 2.871 2.579 3.018 . 0 0 "[ . 1 . ]" 1
459 1 41 LEU HA 1 41 LEU MD1 2.260 . 2.938 2.080 1.867 2.256 . 0 0 "[ . 1 . ]" 1
460 1 41 LEU HA 1 41 LEU HG 2.950 2.065 3.835 2.861 2.547 3.613 . 0 0 "[ . 1 . ]" 1
461 1 41 LEU HA 1 42 GLY H 3.320 2.324 4.316 3.564 3.546 3.574 . 0 0 "[ . 1 . ]" 1
462 1 41 LEU HA 1 43 GLN H 4.250 2.975 5.525 4.233 4.108 4.344 . 0 0 "[ . 1 . ]" 1
463 1 41 LEU HA 1 44 TYR H 2.950 2.065 3.835 3.124 3.029 3.256 . 0 0 "[ . 1 . ]" 1
464 1 41 LEU HA 1 44 TYR HB2 2.950 2.065 3.835 2.944 2.831 3.044 . 0 0 "[ . 1 . ]" 1
465 1 41 LEU HA 1 44 TYR HB3 2.950 2.065 3.835 2.149 2.033 2.566 0.032 9 0 "[ . 1 . ]" 1
466 1 41 LEU HA 1 44 TYR QD 4.250 2.975 5.525 3.679 3.414 4.205 . 0 0 "[ . 1 . ]" 1
467 1 41 LEU HA 1 44 TYR QE 4.990 3.493 6.487 5.621 5.407 6.009 . 0 0 "[ . 1 . ]" 1
468 1 41 LEU HB2 1 42 GLY H 3.040 2.128 3.952 3.213 2.482 3.957 0.005 4 0 "[ . 1 . ]" 1
469 1 41 LEU HB3 1 42 GLY H 3.520 2.464 4.576 2.703 2.508 3.233 . 0 0 "[ . 1 . ]" 1
470 1 41 LEU MD1 1 44 TYR HB2 3.470 2.429 4.511 3.612 3.430 3.771 . 0 0 "[ . 1 . ]" 1
471 1 41 LEU MD1 1 44 TYR QD 3.050 2.135 3.965 3.212 2.905 3.286 . 0 0 "[ . 1 . ]" 1
472 1 41 LEU MD2 2 1 IMY H15 2.700 . 3.510 2.416 1.888 3.282 0.002 12 0 "[ . 1 . ]" 1
473 1 41 LEU HG 1 42 GLY H 4.000 2.800 5.200 4.476 3.483 5.004 . 0 0 "[ . 1 . ]" 1
474 1 42 GLY H 1 42 GLY HA2 2.860 2.002 3.718 2.796 2.771 2.832 . 0 0 "[ . 1 . ]" 1
475 1 42 GLY H 1 42 GLY HA3 2.950 2.065 3.835 2.303 2.301 2.305 . 0 0 "[ . 1 . ]" 1
476 1 42 GLY H 1 43 GLN H 3.130 2.191 4.069 2.699 2.596 2.774 . 0 0 "[ . 1 . ]" 1
477 1 42 GLY H 1 45 ILE MD 4.520 3.164 5.876 4.764 4.467 4.898 . 0 0 "[ . 1 . ]" 1
478 1 42 GLY H 2 1 IMY H14 4.000 2.800 5.200 2.901 2.340 3.694 0.460 8 0 "[ . 1 . ]" 1
479 1 42 GLY HA2 1 43 GLN H 3.320 2.324 4.316 3.516 3.502 3.533 . 0 0 "[ . 1 . ]" 1
480 1 42 GLY HA2 1 44 TYR H 4.500 3.150 5.850 4.223 3.979 4.350 . 0 0 "[ . 1 . ]" 1
481 1 42 GLY HA2 2 1 IMY H14 4.000 2.800 5.200 3.160 2.630 4.335 0.170 14 0 "[ . 1 . ]" 1
482 1 42 GLY HA3 1 43 GLN H 3.520 2.464 4.576 2.839 2.799 2.883 . 0 0 "[ . 1 . ]" 1
483 1 42 GLY HA3 1 44 TYR H 4.990 3.493 6.487 4.498 4.382 4.589 . 0 0 "[ . 1 . ]" 1
484 1 42 GLY HA3 2 1 IMY H14 3.520 2.464 4.576 3.066 2.352 4.142 0.112 12 0 "[ . 1 . ]" 1
485 1 43 GLN H 1 43 GLN HA 3.000 2.100 3.900 2.880 2.857 2.898 . 0 0 "[ . 1 . ]" 1
486 1 43 GLN H 1 43 GLN HB2 3.040 2.128 3.952 2.465 2.339 2.659 . 0 0 "[ . 1 . ]" 1
487 1 43 GLN H 1 43 GLN HG2 3.220 2.254 4.186 3.285 2.785 4.016 . 0 0 "[ . 1 . ]" 1
488 1 43 GLN H 1 43 GLN HG3 2.860 2.002 3.718 2.525 2.178 2.784 . 0 0 "[ . 1 . ]" 1
489 1 43 GLN H 1 44 TYR H 3.130 2.191 4.069 2.367 2.293 2.438 . 0 0 "[ . 1 . ]" 1
490 1 43 GLN HA 1 43 GLN HB2 2.470 . 3.211 3.022 3.014 3.026 . 0 0 "[ . 1 . ]" 1
491 1 43 GLN HA 1 43 GLN HB3 3.130 2.191 4.069 2.477 2.376 2.549 . 0 0 "[ . 1 . ]" 1
492 1 43 GLN HA 1 43 GLN HG3 3.130 2.191 4.069 3.302 2.705 3.625 . 0 0 "[ . 1 . ]" 1
493 1 43 GLN HA 1 44 TYR H 3.420 2.394 4.446 3.469 3.442 3.479 . 0 0 "[ . 1 . ]" 1
494 1 43 GLN HA 1 46 MET H 3.130 2.191 4.069 3.641 3.340 3.899 . 0 0 "[ . 1 . ]" 1
495 1 43 GLN HA 1 46 MET HG3 3.320 2.324 4.316 2.890 2.313 3.416 0.011 3 0 "[ . 1 . ]" 1
496 1 43 GLN HA 1 47 ALA H 3.520 2.464 4.576 3.950 3.685 4.273 . 0 0 "[ . 1 . ]" 1
497 1 43 GLN HG3 1 44 TYR H 3.520 2.464 4.576 4.418 4.059 4.576 . 0 0 "[ . 1 . ]" 1
498 1 44 TYR H 1 44 TYR HA 2.860 2.002 3.718 2.826 2.806 2.850 . 0 0 "[ . 1 . ]" 1
499 1 44 TYR H 1 44 TYR HB2 3.040 2.128 3.952 2.707 2.631 2.772 . 0 0 "[ . 1 . ]" 1
500 1 44 TYR H 1 44 TYR HB3 2.860 2.002 3.718 2.363 2.313 2.437 . 0 0 "[ . 1 . ]" 1
501 1 44 TYR H 1 45 ILE H 3.320 2.324 4.316 2.650 2.534 2.729 . 0 0 "[ . 1 . ]" 1
502 1 44 TYR HA 1 44 TYR HB2 3.040 2.128 3.952 2.394 2.372 2.420 . 0 0 "[ . 1 . ]" 1
503 1 44 TYR HA 1 44 TYR HB3 2.550 . 3.315 3.021 3.014 3.026 . 0 0 "[ . 1 . ]" 1
504 1 44 TYR HA 1 44 TYR QD 2.700 . 3.510 2.842 2.677 3.028 . 0 0 "[ . 1 . ]" 1
505 1 44 TYR HA 1 45 ILE H 3.370 2.359 4.381 3.540 3.496 3.568 . 0 0 "[ . 1 . ]" 1
506 1 44 TYR HA 1 47 ALA H 3.420 2.394 4.446 3.696 3.580 3.910 . 0 0 "[ . 1 . ]" 1
507 1 44 TYR HA 1 47 ALA MB 2.630 . 3.419 2.575 2.413 2.850 . 0 0 "[ . 1 . ]" 1
508 1 44 TYR HB2 1 44 TYR QD 3.130 2.191 4.069 2.467 2.388 2.534 . 0 0 "[ . 1 . ]" 1
509 1 44 TYR HB2 1 45 ILE H 3.520 2.464 4.576 3.934 3.748 4.070 . 0 0 "[ . 1 . ]" 1
510 1 44 TYR HB3 1 45 ILE H 2.860 2.002 3.718 2.587 2.286 2.838 . 0 0 "[ . 1 . ]" 1
511 1 44 TYR QD 1 45 ILE H 3.320 2.324 4.316 3.173 2.618 3.492 . 0 0 "[ . 1 . ]" 1
512 1 44 TYR QD 1 45 ILE HG13 2.550 . 3.315 2.943 2.587 3.332 0.017 12 0 "[ . 1 . ]" 1
513 1 44 TYR QE 1 48 LYS HD2 3.320 2.324 4.316 4.271 4.247 4.303 . 0 0 "[ . 1 . ]" 1
514 1 44 TYR QE 1 48 LYS HE2 2.780 . 3.614 2.816 2.259 3.604 . 0 0 "[ . 1 . ]" 1
515 1 44 TYR QE 1 66 LEU H 3.420 2.394 4.446 3.561 3.024 3.723 . 0 0 "[ . 1 . ]" 1
516 1 44 TYR QE 1 66 LEU HA 3.220 2.254 4.186 4.027 3.703 4.164 . 0 0 "[ . 1 . ]" 1
517 1 44 TYR QE 1 66 LEU HB3 2.700 . 3.510 3.447 2.762 3.518 0.008 14 0 "[ . 1 . ]" 1
518 1 45 ILE H 1 45 ILE HA 2.950 2.065 3.835 2.820 2.771 2.868 . 0 0 "[ . 1 . ]" 1
519 1 45 ILE HA 1 45 ILE MD 3.700 2.590 4.810 3.830 3.801 3.873 . 0 0 "[ . 1 . ]" 1
520 1 45 ILE HA 1 45 ILE HG12 2.470 . 3.211 2.552 2.496 2.627 . 0 0 "[ . 1 . ]" 1
521 1 45 ILE HA 1 45 ILE HG13 2.700 . 3.510 3.109 3.027 3.147 . 0 0 "[ . 1 . ]" 1
522 1 45 ILE HA 1 45 ILE MG 2.970 2.079 3.861 2.374 2.258 2.419 . 0 0 "[ . 1 . ]" 1
523 1 45 ILE HA 1 46 MET H 3.520 2.464 4.576 3.574 3.565 3.579 . 0 0 "[ . 1 . ]" 1
524 1 45 ILE HA 1 48 LYS HB3 3.520 2.464 4.576 4.449 4.328 4.592 0.016 5 0 "[ . 1 . ]" 1
525 1 45 ILE HA 1 50 LEU H 3.520 2.464 4.576 3.504 3.342 3.677 . 0 0 "[ . 1 . ]" 1
526 1 45 ILE HB 1 46 MET H 2.950 2.065 3.835 2.289 2.208 2.424 . 0 0 "[ . 1 . ]" 1
527 1 45 ILE MD 1 46 MET H 4.320 3.024 5.616 4.351 4.202 4.479 . 0 0 "[ . 1 . ]" 1
528 1 45 ILE MD 1 50 LEU H 4.990 3.493 6.487 5.339 5.164 5.409 . 0 0 "[ . 1 . ]" 1
529 1 45 ILE MD 2 1 IMY H17 3.280 2.296 4.264 2.011 1.572 2.541 0.724 10 2 "[ . + .- ]" 1
530 1 45 ILE MG 1 46 MET H 3.520 2.464 4.576 3.320 3.223 3.402 . 0 0 "[ . 1 . ]" 1
531 1 45 ILE MG 1 49 GLN HA 4.420 3.094 5.746 4.046 3.741 4.209 . 0 0 "[ . 1 . ]" 1
532 1 45 ILE MG 1 50 LEU H 3.320 2.324 4.316 2.397 2.205 2.602 0.119 18 0 "[ . 1 . ]" 1
533 1 45 ILE MG 1 51 TYR H 3.220 2.254 4.186 2.983 2.794 3.320 . 0 0 "[ . 1 . ]" 1
534 1 45 ILE MG 1 51 TYR HD2 3.700 2.590 4.810 2.753 2.457 3.010 0.133 5 0 "[ . 1 . ]" 1
535 1 46 MET H 1 46 MET HA 3.220 2.254 4.186 2.790 2.756 2.804 . 0 0 "[ . 1 . ]" 1
536 1 46 MET H 1 46 MET HB3 2.780 . 3.614 2.462 2.387 2.618 . 0 0 "[ . 1 . ]" 1
537 1 46 MET H 1 47 ALA H 3.040 2.128 3.952 2.700 2.644 2.851 . 0 0 "[ . 1 . ]" 1
538 1 46 MET HA 1 46 MET HB2 3.130 2.191 4.069 2.416 2.369 2.495 . 0 0 "[ . 1 . ]" 1
539 1 46 MET HA 1 46 MET HB3 2.950 2.065 3.835 2.480 2.403 2.532 . 0 0 "[ . 1 . ]" 1
540 1 46 MET HA 1 47 ALA H 3.750 2.625 4.875 3.500 3.468 3.544 . 0 0 "[ . 1 . ]" 1
541 1 46 MET HA 1 49 GLN H 3.520 2.464 4.576 3.606 3.523 3.705 . 0 0 "[ . 1 . ]" 1
542 1 46 MET HA 1 51 TYR HD2 3.220 2.254 4.186 2.481 2.259 2.853 . 0 0 "[ . 1 . ]" 1
543 1 46 MET HA 1 51 TYR HE2 2.860 2.002 3.718 2.089 1.996 2.388 0.006 12 0 "[ . 1 . ]" 1
544 1 47 ALA H 1 47 ALA HA 2.950 2.065 3.835 2.852 2.813 2.883 . 0 0 "[ . 1 . ]" 1
545 1 47 ALA H 1 48 LYS H 3.130 2.191 4.069 2.728 2.623 2.853 . 0 0 "[ . 1 . ]" 1
546 1 47 ALA HA 1 49 GLN HE21 3.750 2.625 4.875 4.846 4.529 4.879 0.004 12 0 "[ . 1 . ]" 1
547 1 47 ALA HA 1 49 GLN HE22 4.990 3.493 6.487 5.727 5.052 6.065 . 0 0 "[ . 1 . ]" 1
548 1 47 ALA MB 1 48 LYS H 2.700 . 3.510 2.303 2.170 2.402 . 0 0 "[ . 1 . ]" 1
549 1 48 LYS H 1 48 LYS HA 2.700 . 3.510 2.817 2.803 2.830 . 0 0 "[ . 1 . ]" 1
550 1 48 LYS H 1 48 LYS HB2 3.040 2.128 3.952 2.196 2.131 2.251 . 0 0 "[ . 1 . ]" 1
551 1 48 LYS H 1 48 LYS HB3 2.860 2.002 3.718 3.495 3.448 3.531 . 0 0 "[ . 1 . ]" 1
552 1 48 LYS H 1 48 LYS HD2 3.220 2.254 4.186 2.948 2.380 4.065 . 0 0 "[ . 1 . ]" 1
553 1 48 LYS H 1 48 LYS HD3 3.320 2.324 4.316 2.461 2.336 2.711 . 0 0 "[ . 1 . ]" 1
554 1 48 LYS H 1 48 LYS HE3 4.990 3.493 6.487 4.675 3.879 4.949 . 0 0 "[ . 1 . ]" 1
555 1 48 LYS H 1 48 LYS HG2 2.950 2.065 3.835 3.872 3.846 3.920 0.085 5 0 "[ . 1 . ]" 1
556 1 48 LYS H 1 49 GLN H 2.950 2.065 3.835 2.593 2.543 2.628 . 0 0 "[ . 1 . ]" 1
557 1 48 LYS HA 1 48 LYS HB2 2.470 . 3.211 2.981 2.961 2.997 . 0 0 "[ . 1 . ]" 1
558 1 48 LYS HA 1 48 LYS HB3 2.950 2.065 3.835 2.655 2.615 2.699 . 0 0 "[ . 1 . ]" 1
559 1 48 LYS HA 1 48 LYS HD2 2.700 . 3.510 2.651 2.221 3.385 . 0 0 "[ . 1 . ]" 1
560 1 48 LYS HA 1 48 LYS HD3 2.780 . 3.614 3.142 2.140 3.626 0.012 10 0 "[ . 1 . ]" 1
561 1 48 LYS HA 1 48 LYS HG3 2.470 . 3.211 2.541 2.497 2.603 . 0 0 "[ . 1 . ]" 1
562 1 48 LYS HA 1 49 GLN H 2.950 2.065 3.835 3.453 3.439 3.482 . 0 0 "[ . 1 . ]" 1
563 1 48 LYS HB3 1 49 GLN H 3.320 2.324 4.316 3.680 3.508 3.771 . 0 0 "[ . 1 . ]" 1
564 1 49 GLN H 1 49 GLN HA 2.260 . 2.938 2.273 2.269 2.279 . 0 0 "[ . 1 . ]" 1
565 1 49 GLN H 1 51 TYR HE2 3.320 2.324 4.316 4.315 4.286 4.327 0.011 2 0 "[ . 1 . ]" 1
566 1 49 GLN HA 1 49 GLN HE21 3.370 2.359 4.381 2.627 2.356 3.482 0.003 15 0 "[ . 1 . ]" 1
567 1 49 GLN HA 1 49 GLN HG3 2.700 . 3.510 2.329 2.166 2.434 . 0 0 "[ . 1 . ]" 1
568 1 49 GLN HA 1 50 LEU H 2.700 . 3.510 2.502 2.443 2.602 . 0 0 "[ . 1 . ]" 1
569 1 49 GLN HA 1 51 TYR H 3.220 2.254 4.186 3.117 3.060 3.160 . 0 0 "[ . 1 . ]" 1
570 1 49 GLN HA 1 51 TYR HD2 3.220 2.254 4.186 3.414 3.186 3.557 . 0 0 "[ . 1 . ]" 1
571 1 49 GLN HA 1 51 TYR HE2 2.950 2.065 3.835 3.004 2.843 3.084 . 0 0 "[ . 1 . ]" 1
572 1 49 GLN HB2 1 51 TYR HE2 3.520 2.464 4.576 4.584 4.580 4.591 0.015 12 0 "[ . 1 . ]" 1
573 1 49 GLN HG3 1 51 TYR HE2 3.320 2.324 4.316 3.850 2.946 4.264 . 0 0 "[ . 1 . ]" 1
574 1 50 LEU H 1 50 LEU HA 2.950 2.065 3.835 2.933 2.909 2.946 . 0 0 "[ . 1 . ]" 1
575 1 50 LEU H 1 50 LEU HB3 2.950 2.065 3.835 3.707 3.655 3.766 . 0 0 "[ . 1 . ]" 1
576 1 50 LEU H 1 50 LEU MD2 3.550 2.485 4.615 3.056 2.707 3.378 . 0 0 "[ . 1 . ]" 1
577 1 50 LEU H 1 50 LEU HG 3.040 2.128 3.952 2.404 2.127 2.546 0.001 5 0 "[ . 1 . ]" 1
578 1 50 LEU H 1 51 TYR H 2.780 . 3.614 2.243 2.126 2.445 . 0 0 "[ . 1 . ]" 1
579 1 50 LEU H 1 51 TYR HD2 4.990 3.493 6.487 3.489 3.477 3.540 0.016 2 0 "[ . 1 . ]" 1
580 1 50 LEU H 1 59 VAL MG1 4.990 3.493 6.487 3.907 3.657 4.237 . 0 0 "[ . 1 . ]" 1
581 1 50 LEU HA 1 50 LEU HB2 2.700 . 3.510 3.002 2.985 3.014 . 0 0 "[ . 1 . ]" 1
582 1 50 LEU HA 1 50 LEU HB3 3.040 2.128 3.952 2.359 2.314 2.397 . 0 0 "[ . 1 . ]" 1
583 1 50 LEU HA 1 50 LEU MD2 2.330 . 3.029 2.078 1.936 2.364 . 0 0 "[ . 1 . ]" 1
584 1 50 LEU HA 1 51 TYR H 3.130 2.191 4.069 3.298 3.167 3.370 . 0 0 "[ . 1 . ]" 1
585 1 50 LEU HB3 1 51 TYR H 3.520 2.464 4.576 4.378 4.262 4.508 . 0 0 "[ . 1 . ]" 1
586 1 50 LEU MD1 1 61 CYS HB2 2.780 . 3.614 3.014 2.977 3.024 . 0 0 "[ . 1 . ]" 1
587 1 50 LEU MD1 1 61 CYS HB3 3.860 2.702 5.018 3.249 2.980 3.509 . 0 0 "[ . 1 . ]" 1
588 1 50 LEU MD2 1 51 TYR H 4.320 3.024 5.616 4.416 4.283 4.561 . 0 0 "[ . 1 . ]" 1
589 1 50 LEU MD2 1 64 ASP HB3 3.360 2.352 4.368 3.559 3.288 3.660 . 0 0 "[ . 1 . ]" 1
590 1 51 TYR H 1 51 TYR HB2 2.950 2.065 3.835 3.613 3.598 3.666 . 0 0 "[ . 1 . ]" 1
591 1 51 TYR H 1 51 TYR HB3 3.220 2.254 4.186 2.730 2.626 2.872 . 0 0 "[ . 1 . ]" 1
592 1 51 TYR H 1 51 TYR HD2 3.170 2.219 4.121 2.680 2.467 2.905 . 0 0 "[ . 1 . ]" 1
593 1 51 TYR H 1 52 ASP H 4.990 3.493 6.487 4.601 4.571 4.611 . 0 0 "[ . 1 . ]" 1
594 1 51 TYR H 1 59 VAL MG1 4.000 2.800 5.200 3.739 3.395 4.325 . 0 0 "[ . 1 . ]" 1
595 1 51 TYR HA 1 51 TYR HB2 2.950 2.065 3.835 2.475 2.434 2.509 . 0 0 "[ . 1 . ]" 1
596 1 51 TYR HA 1 51 TYR HB3 3.220 2.254 4.186 2.431 2.403 2.471 . 0 0 "[ . 1 . ]" 1
597 1 51 TYR HA 1 52 ASP H 3.040 2.128 3.952 2.314 2.229 2.390 . 0 0 "[ . 1 . ]" 1
598 1 51 TYR HA 1 59 VAL HA 3.220 2.254 4.186 2.247 2.241 2.258 0.013 14 0 "[ . 1 . ]" 1
599 1 51 TYR HA 1 59 VAL MG2 2.950 2.065 3.835 2.698 2.589 2.920 . 0 0 "[ . 1 . ]" 1
600 1 51 TYR HA 1 60 HIS H 3.420 2.394 4.446 3.708 3.563 3.819 . 0 0 "[ . 1 . ]" 1
601 1 51 TYR HB2 1 52 ASP H 3.520 2.464 4.576 2.664 2.462 2.910 0.002 11 0 "[ . 1 . ]" 1
602 1 51 TYR HB2 1 59 VAL MG2 3.420 2.394 4.446 3.710 3.703 3.717 . 0 0 "[ . 1 . ]" 1
603 1 51 TYR HB3 1 51 TYR HD1 2.950 2.065 3.835 3.721 3.702 3.732 . 0 0 "[ . 1 . ]" 1
604 1 51 TYR HB3 1 52 ASP H 3.420 2.394 4.446 3.873 3.775 4.020 . 0 0 "[ . 1 . ]" 1
605 1 51 TYR HD1 1 53 GLU H 4.000 2.800 5.200 4.344 4.226 4.514 . 0 0 "[ . 1 . ]" 1
606 1 51 TYR HD1 1 53 GLU HA 2.950 2.065 3.835 3.546 3.469 3.628 . 0 0 "[ . 1 . ]" 1
607 1 51 TYR HD1 1 56 GLN HG3 3.220 2.254 4.186 3.611 3.061 4.113 . 0 0 "[ . 1 . ]" 1
608 1 51 TYR HE1 1 53 GLU HA 2.950 2.065 3.835 3.651 3.255 3.844 0.009 8 0 "[ . 1 . ]" 1
609 1 51 TYR HE1 1 53 GLU HG2 3.520 2.464 4.576 3.919 3.498 4.573 . 0 0 "[ . 1 . ]" 1
610 1 52 ASP H 1 52 ASP HA 3.220 2.254 4.186 2.892 2.840 2.928 . 0 0 "[ . 1 . ]" 1
611 1 52 ASP H 1 52 ASP HB2 3.220 2.254 4.186 2.667 2.540 2.792 . 0 0 "[ . 1 . ]" 1
612 1 52 ASP H 1 52 ASP HB3 2.950 2.065 3.835 2.520 2.457 2.735 . 0 0 "[ . 1 . ]" 1
613 1 52 ASP H 1 59 VAL HA 3.320 2.324 4.316 3.442 3.198 3.670 . 0 0 "[ . 1 . ]" 1
614 1 52 ASP HA 1 52 ASP HB2 3.040 2.128 3.952 2.476 2.439 2.597 . 0 0 "[ . 1 . ]" 1
615 1 52 ASP HA 1 52 ASP HB3 2.860 2.002 3.718 3.025 3.007 3.028 . 0 0 "[ . 1 . ]" 1
616 1 52 ASP HA 1 53 GLU H 2.550 . 3.315 2.235 2.209 2.247 . 0 0 "[ . 1 . ]" 1
617 1 52 ASP HA 1 60 HIS HE1 3.420 2.394 4.446 2.885 2.391 4.444 0.003 3 0 "[ . 1 . ]" 1
618 1 52 ASP HB2 1 54 LYS H 4.000 2.800 5.200 5.053 4.860 5.216 0.016 2 0 "[ . 1 . ]" 1
619 1 52 ASP HB2 1 55 GLN H 3.320 2.324 4.316 4.272 4.136 4.363 0.047 1 0 "[ . 1 . ]" 1
620 1 52 ASP HB2 1 58 ILE H 4.000 2.800 5.200 4.953 4.687 5.206 0.006 11 0 "[ . 1 . ]" 1
621 1 52 ASP HB2 1 58 ILE HB 3.040 2.128 3.952 3.146 2.450 3.900 . 0 0 "[ . 1 . ]" 1
622 1 52 ASP HB2 1 58 ILE MG 4.220 2.954 5.486 2.925 2.752 3.080 0.202 11 0 "[ . 1 . ]" 1
623 1 52 ASP HB3 1 55 GLN H 3.320 2.324 4.316 2.763 2.533 2.914 . 0 0 "[ . 1 . ]" 1
624 1 52 ASP HB3 1 58 ILE MG 3.220 2.254 4.186 3.446 3.218 3.497 . 0 0 "[ . 1 . ]" 1
625 1 53 GLU H 1 53 GLU HA 2.950 2.065 3.835 2.814 2.799 2.832 . 0 0 "[ . 1 . ]" 1
626 1 53 GLU H 1 53 GLU HB2 2.700 . 3.510 2.144 2.061 2.221 . 0 0 "[ . 1 . ]" 1
627 1 53 GLU H 1 53 GLU HB3 2.700 . 3.510 3.382 3.001 3.516 0.006 1 0 "[ . 1 . ]" 1
628 1 53 GLU H 1 53 GLU HG2 3.220 2.254 4.186 3.523 2.828 4.101 . 0 0 "[ . 1 . ]" 1
629 1 53 GLU H 1 54 LYS H 3.220 2.254 4.186 2.789 2.682 2.901 . 0 0 "[ . 1 . ]" 1
630 1 53 GLU HA 1 53 GLU HB2 2.700 . 3.510 2.913 2.705 2.985 . 0 0 "[ . 1 . ]" 1
631 1 53 GLU HA 1 53 GLU HB3 2.470 . 3.211 2.757 2.653 2.958 . 0 0 "[ . 1 . ]" 1
632 1 53 GLU HA 1 53 GLU HG2 2.550 . 3.315 2.305 2.050 2.817 . 0 0 "[ . 1 . ]" 1
633 1 53 GLU HA 1 54 LYS H 3.320 2.324 4.316 3.568 3.553 3.582 . 0 0 "[ . 1 . ]" 1
634 1 53 GLU HA 1 56 GLN HE21 2.780 . 3.614 3.054 3.003 3.206 . 0 0 "[ . 1 . ]" 1
635 1 53 GLU HA 1 56 GLN HE22 3.040 2.128 3.952 3.954 3.947 3.958 0.006 18 0 "[ . 1 . ]" 1
636 1 53 GLU HA 1 56 GLN HG3 3.470 2.429 4.511 4.520 4.506 4.530 0.019 17 0 "[ . 1 . ]" 1
637 1 53 GLU HB2 1 54 LYS H 2.860 2.002 3.718 2.791 2.523 3.260 . 0 0 "[ . 1 . ]" 1
638 1 54 LYS H 1 54 LYS HA 2.780 . 3.614 2.777 2.732 2.801 . 0 0 "[ . 1 . ]" 1
639 1 54 LYS H 1 54 LYS HD3 3.320 2.324 4.316 3.817 2.600 4.335 0.019 18 0 "[ . 1 . ]" 1
640 1 54 LYS H 1 54 LYS HG2 2.860 2.002 3.718 3.442 2.179 3.735 0.017 6 0 "[ . 1 . ]" 1
641 1 54 LYS H 1 54 LYS HG3 3.320 2.324 4.316 2.797 2.265 4.100 0.059 1 0 "[ . 1 . ]" 1
642 1 54 LYS H 1 55 GLN H 2.700 . 3.510 2.961 2.807 3.320 . 0 0 "[ . 1 . ]" 1
643 1 54 LYS HA 1 54 LYS HG2 2.900 2.030 3.770 3.148 2.462 3.804 0.034 2 0 "[ . 1 . ]" 1
644 1 54 LYS HA 1 54 LYS HG3 2.700 . 3.510 2.879 2.441 3.617 0.107 1 0 "[ . 1 . ]" 1
645 1 54 LYS HA 1 55 GLN H 3.130 2.191 4.069 3.564 3.540 3.572 . 0 0 "[ . 1 . ]" 1
646 1 54 LYS HB3 1 55 GLN H 2.700 . 3.510 3.222 2.497 3.579 0.069 1 0 "[ . 1 . ]" 1
647 1 55 GLN H 1 55 GLN HA 2.950 2.065 3.835 2.936 2.918 2.951 . 0 0 "[ . 1 . ]" 1
648 1 55 GLN H 1 55 GLN HB2 3.320 2.324 4.316 3.084 2.370 3.647 . 0 0 "[ . 1 . ]" 1
649 1 55 GLN H 1 55 GLN HB3 2.780 . 3.614 3.528 3.254 3.662 0.048 18 0 "[ . 1 . ]" 1
650 1 55 GLN H 1 55 GLN HG2 2.860 2.002 3.718 2.781 2.000 3.754 0.036 18 0 "[ . 1 . ]" 1
651 1 55 GLN H 1 55 GLN HG3 3.320 2.324 4.316 3.346 2.302 4.217 0.022 5 0 "[ . 1 . ]" 1
652 1 55 GLN HA 1 55 GLN HG2 3.520 2.464 4.576 3.397 2.805 3.724 . 0 0 "[ . 1 . ]" 1
653 1 55 GLN HA 1 56 GLN H 2.860 2.002 3.718 2.147 2.134 2.158 . 0 0 "[ . 1 . ]" 1
654 1 55 GLN HB2 1 58 ILE MD 3.950 2.765 5.135 3.712 3.299 3.999 . 0 0 "[ . 1 . ]" 1
655 1 55 GLN HB3 1 58 ILE HG12 2.700 . 3.510 2.817 1.947 3.526 0.016 6 0 "[ . 1 . ]" 1
656 1 55 GLN HB3 1 58 ILE HG13 3.220 2.254 4.186 3.615 2.868 4.194 0.008 2 0 "[ . 1 . ]" 1
657 1 55 GLN HG2 1 58 ILE MD 4.130 2.891 5.369 4.478 4.435 4.533 . 0 0 "[ . 1 . ]" 1
658 1 56 GLN H 1 56 GLN HA 3.220 2.254 4.186 2.882 2.866 2.895 . 0 0 "[ . 1 . ]" 1
659 1 56 GLN H 1 56 GLN HB2 3.040 2.128 3.952 2.215 2.179 2.289 . 0 0 "[ . 1 . ]" 1
660 1 56 GLN H 1 56 GLN HB3 2.860 2.002 3.718 3.504 3.469 3.559 . 0 0 "[ . 1 . ]" 1
661 1 56 GLN H 1 57 HIS H 3.220 2.254 4.186 2.436 2.340 2.590 . 0 0 "[ . 1 . ]" 1
662 1 56 GLN HA 1 56 GLN HB2 2.860 2.002 3.718 2.980 2.963 3.005 . 0 0 "[ . 1 . ]" 1
663 1 56 GLN HA 1 56 GLN HB3 2.950 2.065 3.835 2.650 2.583 2.689 . 0 0 "[ . 1 . ]" 1
664 1 56 GLN HA 1 56 GLN HE21 3.520 2.464 4.576 3.470 2.974 3.856 . 0 0 "[ . 1 . ]" 1
665 1 56 GLN HA 1 56 GLN HG2 3.420 2.394 4.446 3.491 3.448 3.589 . 0 0 "[ . 1 . ]" 1
666 1 56 GLN HA 1 56 GLN HG3 2.860 2.002 3.718 2.190 2.134 2.316 . 0 0 "[ . 1 . ]" 1
667 1 56 GLN HA 1 57 HIS H 3.320 2.324 4.316 3.402 3.260 3.462 . 0 0 "[ . 1 . ]" 1
668 1 56 GLN HA 1 58 ILE H 3.420 2.394 4.446 3.473 3.366 3.666 . 0 0 "[ . 1 . ]" 1
669 1 56 GLN HB3 1 57 HIS H 3.520 2.464 4.576 3.839 3.639 4.072 . 0 0 "[ . 1 . ]" 1
670 1 56 GLN HE21 1 56 GLN HG2 2.950 2.065 3.835 3.184 3.003 3.398 . 0 0 "[ . 1 . ]" 1
671 1 56 GLN HE21 1 56 GLN HG3 3.040 2.128 3.952 2.133 2.120 2.189 0.008 15 0 "[ . 1 . ]" 1
672 1 56 GLN HE22 1 56 GLN HG2 3.220 2.254 4.186 3.909 3.820 4.018 . 0 0 "[ . 1 . ]" 1
673 1 57 HIS H 1 57 HIS HA 2.950 2.065 3.835 2.911 2.899 2.942 . 0 0 "[ . 1 . ]" 1
674 1 57 HIS H 1 57 HIS QB 3.320 2.324 4.069 2.585 2.386 2.798 . 0 0 "[ . 1 . ]" 1
675 1 57 HIS H 1 57 HIS HD2 4.250 2.975 5.525 4.431 2.958 5.005 0.017 9 0 "[ . 1 . ]" 1
676 1 57 HIS HA 1 57 HIS QB 2.700 2.002 3.510 2.178 2.160 2.182 . 0 0 "[ . 1 . ]" 1
677 1 57 HIS HA 1 58 ILE H 3.270 2.289 4.251 3.144 3.121 3.189 . 0 0 "[ . 1 . ]" 1
678 1 57 HIS HA 1 77 VAL H 4.500 3.150 5.850 4.258 3.866 4.577 . 0 0 "[ . 1 . ]" 1
679 1 57 HIS HA 1 77 VAL QG 2.550 . 3.315 2.292 2.046 2.482 . 0 0 "[ . 1 . ]" 1
680 1 57 HIS HA 1 78 LYS H 4.990 3.493 6.487 5.521 5.024 5.987 . 0 0 "[ . 1 . ]" 1
681 1 57 HIS QB 1 57 HIS HD2 3.370 2.359 4.381 2.687 2.643 2.826 . 0 0 "[ . 1 . ]" 1
682 1 57 HIS QB 2 1 IMY H26 3.520 2.464 4.576 3.249 2.350 5.364 0.788 17 1 "[ . 1 . + ]" 1
683 1 57 HIS HE1 1 58 ILE MD 4.220 2.954 5.486 3.326 2.448 4.179 0.506 15 3 "[ . *-1 + ]" 1
684 1 58 ILE H 1 58 ILE HA 3.220 2.254 4.186 2.947 2.945 2.950 . 0 0 "[ . 1 . ]" 1
685 1 58 ILE H 1 58 ILE MD 4.520 3.164 5.876 3.483 2.627 3.770 0.537 11 1 "[ . 1+ . ]" 1
686 1 58 ILE H 1 58 ILE HG12 3.320 2.324 4.316 2.907 2.591 4.289 . 0 0 "[ . 1 . ]" 1
687 1 58 ILE H 1 58 ILE MG 4.320 3.024 5.616 3.851 3.694 3.897 . 0 0 "[ . 1 . ]" 1
688 1 58 ILE HA 1 58 ILE MD 2.550 . 3.315 2.085 1.936 2.246 . 0 0 "[ . 1 . ]" 1
689 1 58 ILE HA 1 58 ILE HG12 3.520 2.464 4.576 3.186 3.003 3.652 . 0 0 "[ . 1 . ]" 1
690 1 58 ILE HA 1 58 ILE HG13 2.950 2.065 3.835 3.641 2.599 3.766 . 0 0 "[ . 1 . ]" 1
691 1 58 ILE HA 1 58 ILE MG 2.630 . 3.419 2.324 2.222 2.560 . 0 0 "[ . 1 . ]" 1
692 1 58 ILE HA 1 59 VAL H 2.700 . 3.510 2.170 2.148 2.184 . 0 0 "[ . 1 . ]" 1
693 1 58 ILE HA 1 76 SER HA 3.040 2.128 3.952 2.515 2.369 2.731 . 0 0 "[ . 1 . ]" 1
694 1 58 ILE HA 1 77 VAL H 3.520 2.464 4.576 3.379 3.146 3.688 . 0 0 "[ . 1 . ]" 1
695 1 58 ILE HB 1 59 VAL H 3.520 2.464 4.576 4.064 3.905 4.246 . 0 0 "[ . 1 . ]" 1
696 1 58 ILE MD 1 59 VAL H 3.780 2.646 4.914 3.583 3.330 4.111 . 0 0 "[ . 1 . ]" 1
697 1 58 ILE MD 1 76 SER HA 2.860 2.002 3.718 2.521 2.161 3.061 . 0 0 "[ . 1 . ]" 1
698 1 58 ILE MD 1 77 VAL H 3.820 2.674 4.966 3.526 3.046 3.938 . 0 0 "[ . 1 . ]" 1
699 1 58 ILE HG13 1 59 VAL H 4.000 2.800 5.200 5.153 3.943 5.256 0.056 1 0 "[ . 1 . ]" 1
700 1 58 ILE MG 1 59 VAL H 2.550 . 3.315 2.204 2.050 2.323 . 0 0 "[ . 1 . ]" 1
701 1 58 ILE MG 1 60 HIS H 3.820 2.674 4.966 3.526 3.316 3.737 . 0 0 "[ . 1 . ]" 1
702 1 58 ILE MG 1 60 HIS HE1 3.820 2.674 4.966 4.014 2.955 4.145 . 0 0 "[ . 1 . ]" 1
703 1 58 ILE MG 1 75 PHE H 3.320 2.324 4.316 3.601 3.565 3.616 . 0 0 "[ . 1 . ]" 1
704 1 58 ILE MG 1 76 SER HA 3.950 2.765 5.135 3.580 3.362 3.967 . 0 0 "[ . 1 . ]" 1
705 1 59 VAL H 1 59 VAL HA 3.320 2.324 4.316 2.946 2.944 2.947 . 0 0 "[ . 1 . ]" 1
706 1 59 VAL H 1 59 VAL MG2 3.050 2.135 3.965 2.743 2.619 2.823 . 0 0 "[ . 1 . ]" 1
707 1 59 VAL H 1 75 PHE H 3.220 2.254 4.186 3.189 3.006 3.339 . 0 0 "[ . 1 . ]" 1
708 1 59 VAL H 1 76 SER HA 4.500 3.150 5.850 3.197 3.138 3.361 0.012 14 0 "[ . 1 . ]" 1
709 1 59 VAL H 1 77 VAL QG 4.320 3.024 5.616 3.972 3.764 4.149 . 0 0 "[ . 1 . ]" 1
710 1 59 VAL HA 1 59 VAL MG1 2.470 . 3.211 2.337 2.246 2.383 . 0 0 "[ . 1 . ]" 1
711 1 59 VAL HA 1 59 VAL MG2 2.550 . 3.315 2.415 2.362 2.506 . 0 0 "[ . 1 . ]" 1
712 1 59 VAL HA 1 60 HIS H 2.700 . 3.510 2.191 2.172 2.210 . 0 0 "[ . 1 . ]" 1
713 1 59 VAL HB 1 75 PHE H 3.320 2.324 4.316 3.620 3.377 3.742 . 0 0 "[ . 1 . ]" 1
714 1 59 VAL HB 1 75 PHE QE 3.130 2.191 4.069 3.080 2.797 3.355 . 0 0 "[ . 1 . ]" 1
715 1 59 VAL MG1 1 60 HIS H 3.220 2.254 4.186 3.114 2.971 3.260 . 0 0 "[ . 1 . ]" 1
716 1 59 VAL MG1 1 61 CYS HB2 3.000 2.100 3.900 3.258 3.247 3.268 . 0 0 "[ . 1 . ]" 1
717 1 59 VAL MG1 1 74 GLU HA 4.320 3.024 5.616 4.646 4.464 4.685 . 0 0 "[ . 1 . ]" 1
718 1 59 VAL MG1 1 75 PHE H 4.520 3.164 5.876 4.508 4.345 4.631 . 0 0 "[ . 1 . ]" 1
719 1 59 VAL MG1 1 75 PHE QE 2.700 . 3.510 2.701 2.282 2.894 . 0 0 "[ . 1 . ]" 1
720 1 59 VAL MG2 1 77 VAL HA 4.320 3.024 5.616 4.692 4.685 4.706 . 0 0 "[ . 1 . ]" 1
721 1 60 HIS H 1 60 HIS HB2 3.220 2.254 4.186 3.809 3.692 3.852 . 0 0 "[ . 1 . ]" 1
722 1 60 HIS H 1 60 HIS HB3 3.220 2.254 4.186 3.142 3.028 3.426 . 0 0 "[ . 1 . ]" 1
723 1 61 CYS H 1 62 SER H 3.040 2.128 3.952 3.961 3.957 3.965 0.013 5 0 "[ . 1 . ]" 1
724 1 61 CYS H 1 74 GLU HA 3.520 2.464 4.576 3.515 3.253 3.774 . 0 0 "[ . 1 . ]" 1
725 1 61 CYS H 1 75 PHE H 4.000 2.800 5.200 5.159 4.990 5.206 0.006 18 0 "[ . 1 . ]" 1
726 1 61 CYS HA 1 61 CYS HB3 2.700 . 3.510 2.889 2.778 2.971 . 0 0 "[ . 1 . ]" 1
727 1 61 CYS HB3 1 62 SER H 3.520 2.464 4.576 4.080 3.941 4.201 . 0 0 "[ . 1 . ]" 1
728 1 62 SER H 1 62 SER HA 2.950 2.065 3.835 2.812 2.786 2.844 . 0 0 "[ . 1 . ]" 1
729 1 62 SER H 1 62 SER HB2 2.700 . 3.510 2.730 2.156 3.511 0.001 1 0 "[ . 1 . ]" 1
730 1 62 SER HA 1 62 SER HB3 2.400 . 3.120 2.617 2.271 3.027 . 0 0 "[ . 1 . ]" 1
731 1 62 SER HA 1 63 ASN H 4.000 2.800 5.200 3.569 3.565 3.574 . 0 0 "[ . 1 . ]" 1
732 1 62 SER HA 1 64 ASP H 3.520 2.464 4.576 4.759 4.741 4.777 0.201 5 0 "[ . 1 . ]" 1
733 1 62 SER HA 1 73 GLN HB2 3.520 2.464 4.576 3.946 3.460 4.498 . 0 0 "[ . 1 . ]" 1
734 1 62 SER HA 1 73 GLN HG3 3.040 2.128 3.952 2.971 2.194 3.958 0.006 9 0 "[ . 1 . ]" 1
735 1 63 ASN HB2 1 63 ASN HD21 3.220 2.254 4.186 2.516 2.252 3.039 0.002 8 0 "[ . 1 . ]" 1
736 1 63 ASN HB2 1 63 ASN HD22 2.950 2.065 3.835 3.600 3.487 3.835 0.000 2 0 "[ . 1 . ]" 1
737 1 63 ASN HB3 1 63 ASN HD21 2.860 2.002 3.718 2.966 2.165 3.550 . 0 0 "[ . 1 . ]" 1
738 1 64 ASP H 1 64 ASP HA 2.950 2.065 3.835 2.872 2.868 2.875 . 0 0 "[ . 1 . ]" 1
739 1 64 ASP H 1 64 ASP HB2 2.780 . 3.614 3.131 2.928 3.405 . 0 0 "[ . 1 . ]" 1
740 1 64 ASP H 1 64 ASP HB3 3.220 2.254 4.186 3.360 3.047 3.678 . 0 0 "[ . 1 . ]" 1
741 1 64 ASP HA 1 64 ASP HB2 3.040 2.128 3.952 2.699 2.480 2.898 . 0 0 "[ . 1 . ]" 1
742 1 64 ASP HA 1 64 ASP HB3 2.950 2.065 3.835 2.938 2.795 3.025 . 0 0 "[ . 1 . ]" 1
743 1 64 ASP HA 1 65 PRO HD2 2.700 . 3.510 2.487 1.966 2.652 . 0 0 "[ . 1 . ]" 1
744 1 64 ASP HA 1 65 PRO HD3 2.700 . 3.510 2.112 1.999 2.568 . 0 0 "[ . 1 . ]" 1
745 1 64 ASP HA 1 66 LEU H 4.000 2.800 5.200 3.912 3.823 3.987 . 0 0 "[ . 1 . ]" 1
746 1 64 ASP HB2 1 66 LEU H 3.420 2.394 4.446 4.293 4.053 4.453 0.007 6 0 "[ . 1 . ]" 1
747 1 64 ASP HB2 1 67 GLY H 3.320 2.324 4.316 3.797 3.205 4.131 . 0 0 "[ . 1 . ]" 1
748 1 65 PRO HA 1 65 PRO HB2 2.470 . 3.211 2.948 2.888 2.972 . 0 0 "[ . 1 . ]" 1
749 1 65 PRO HA 1 65 PRO HB3 2.950 2.065 3.835 2.273 2.259 2.289 . 0 0 "[ . 1 . ]" 1
750 1 65 PRO HA 1 65 PRO HG3 3.220 2.254 4.186 3.226 3.130 3.678 . 0 0 "[ . 1 . ]" 1
751 1 65 PRO HA 1 66 LEU H 3.520 2.464 4.576 3.502 3.473 3.522 . 0 0 "[ . 1 . ]" 1
752 1 65 PRO HA 1 68 GLU H 3.180 2.226 4.134 3.694 3.341 3.831 . 0 0 "[ . 1 . ]" 1
753 1 65 PRO HA 1 68 GLU HB3 2.780 . 3.614 3.233 2.361 3.655 0.041 3 0 "[ . 1 . ]" 1
754 1 65 PRO HA 1 68 GLU HG2 3.130 2.191 4.069 2.837 2.163 4.072 0.028 15 0 "[ . 1 . ]" 1
755 1 65 PRO HA 1 68 GLU HG3 2.860 2.002 3.718 3.352 2.598 3.738 0.020 14 0 "[ . 1 . ]" 1
756 1 65 PRO HA 1 69 LEU H 4.000 2.800 5.200 4.319 4.016 4.528 . 0 0 "[ . 1 . ]" 1
757 1 65 PRO HB2 1 65 PRO HD2 2.950 2.065 3.835 3.262 3.158 3.865 0.030 5 0 "[ . 1 . ]" 1
758 1 65 PRO HB2 1 66 LEU H 4.000 2.800 5.200 2.943 2.795 3.127 0.005 3 0 "[ . 1 . ]" 1
759 1 65 PRO HB3 1 65 PRO HD2 3.220 2.254 4.186 3.981 3.956 4.054 . 0 0 "[ . 1 . ]" 1
760 1 65 PRO HB3 1 65 PRO HD3 2.950 2.065 3.835 3.865 3.334 3.940 0.105 8 0 "[ . 1 . ]" 1
761 1 65 PRO HD2 1 66 LEU H 4.000 2.800 5.200 2.876 2.787 3.304 0.013 13 0 "[ . 1 . ]" 1
762 1 65 PRO HD3 1 66 LEU H 3.520 2.464 4.576 4.009 3.929 4.220 . 0 0 "[ . 1 . ]" 1
763 1 66 LEU H 1 66 LEU HA 2.950 2.065 3.835 2.848 2.812 2.874 . 0 0 "[ . 1 . ]" 1
764 1 66 LEU H 1 66 LEU HB2 3.040 2.128 3.952 2.278 2.170 2.569 . 0 0 "[ . 1 . ]" 1
765 1 66 LEU H 1 66 LEU HB3 3.040 2.128 3.952 2.804 2.482 2.927 . 0 0 "[ . 1 . ]" 1
766 1 66 LEU H 1 66 LEU MD1 4.990 3.493 6.487 3.723 3.483 4.155 0.010 8 0 "[ . 1 . ]" 1
767 1 66 LEU H 1 66 LEU HG 4.500 3.150 5.850 4.540 4.438 4.588 . 0 0 "[ . 1 . ]" 1
768 1 66 LEU H 1 67 GLY H 3.320 2.324 4.316 2.680 2.496 2.875 . 0 0 "[ . 1 . ]" 1
769 1 66 LEU HA 1 66 LEU HB2 3.000 2.100 3.900 2.626 2.453 2.690 . 0 0 "[ . 1 . ]" 1
770 1 66 LEU HA 1 66 LEU HB3 2.630 . 3.419 2.987 2.963 3.018 . 0 0 "[ . 1 . ]" 1
771 1 66 LEU HA 1 66 LEU MD1 2.260 . 2.938 2.084 1.956 2.446 . 0 0 "[ . 1 . ]" 1
772 1 66 LEU HA 1 66 LEU HG 3.040 2.128 3.952 2.772 2.476 3.006 . 0 0 "[ . 1 . ]" 1
773 1 66 LEU HA 1 67 GLY H 3.130 2.191 4.069 3.564 3.544 3.577 . 0 0 "[ . 1 . ]" 1
774 1 66 LEU HA 1 69 LEU H 3.320 2.324 4.316 3.356 3.169 3.540 . 0 0 "[ . 1 . ]" 1
775 1 66 LEU HA 1 69 LEU HB2 2.670 . 3.471 3.347 3.103 3.483 0.012 7 0 "[ . 1 . ]" 1
776 1 66 LEU HA 1 69 LEU MD2 3.630 2.541 4.719 3.304 3.076 3.542 . 0 0 "[ . 1 . ]" 1
777 1 66 LEU HA 1 70 PHE H 4.000 2.800 5.200 3.893 3.644 4.087 . 0 0 "[ . 1 . ]" 1
778 1 66 LEU HB2 1 67 GLY H 3.520 2.464 4.576 3.440 3.193 3.782 . 0 0 "[ . 1 . ]" 1
779 1 66 LEU MD2 1 67 GLY H 4.990 3.493 6.487 4.131 3.771 4.528 . 0 0 "[ . 1 . ]" 1
780 1 67 GLY H 1 67 GLY HA2 3.130 2.191 4.069 2.796 2.780 2.820 . 0 0 "[ . 1 . ]" 1
781 1 67 GLY H 1 67 GLY HA3 3.130 2.191 4.069 2.297 2.294 2.301 . 0 0 "[ . 1 . ]" 1
782 1 67 GLY H 1 68 GLU H 3.130 2.191 4.069 2.719 2.586 2.785 . 0 0 "[ . 1 . ]" 1
783 1 67 GLY HA2 1 69 LEU H 4.500 3.150 5.850 4.098 3.965 4.210 . 0 0 "[ . 1 . ]" 1
784 1 67 GLY HA2 1 72 VAL H 3.520 2.464 4.576 3.048 2.592 3.307 . 0 0 "[ . 1 . ]" 1
785 1 67 GLY HA3 1 69 LEU H 3.520 2.464 4.576 4.496 4.320 4.582 0.006 3 0 "[ . 1 . ]" 1
786 1 67 GLY HA3 1 72 VAL H 3.220 2.254 4.186 4.052 3.698 4.188 0.002 12 0 "[ . 1 . ]" 1
787 1 68 GLU H 1 68 GLU HA 2.950 2.065 3.835 2.853 2.806 2.883 . 0 0 "[ . 1 . ]" 1
788 1 68 GLU H 1 68 GLU HG3 3.220 2.254 4.186 3.347 2.285 4.195 0.009 5 0 "[ . 1 . ]" 1
789 1 68 GLU H 1 69 LEU H 2.950 2.065 3.835 2.463 2.353 2.629 . 0 0 "[ . 1 . ]" 1
790 1 68 GLU HA 1 68 GLU HG3 2.780 . 3.614 3.551 3.313 3.627 0.013 4 0 "[ . 1 . ]" 1
791 1 68 GLU HA 1 69 LEU H 3.220 2.254 4.186 3.468 3.454 3.487 . 0 0 "[ . 1 . ]" 1
792 1 68 GLU HA 1 71 GLY H 3.520 2.464 4.576 3.722 3.579 3.835 . 0 0 "[ . 1 . ]" 1
793 1 68 GLU HG3 1 69 LEU H 3.220 2.254 4.186 2.900 2.246 4.211 0.025 3 0 "[ . 1 . ]" 1
794 1 69 LEU H 1 69 LEU HA 2.820 . 3.666 2.865 2.837 2.884 . 0 0 "[ . 1 . ]" 1
795 1 69 LEU H 1 69 LEU MD1 4.320 3.024 5.616 4.113 4.000 4.189 . 0 0 "[ . 1 . ]" 1
796 1 69 LEU H 1 70 PHE H 3.220 2.254 4.186 2.706 2.649 2.785 . 0 0 "[ . 1 . ]" 1
797 1 69 LEU HA 1 69 LEU MD1 2.260 . 2.938 2.004 1.922 2.246 . 0 0 "[ . 1 . ]" 1
798 1 69 LEU HA 1 69 LEU HG 2.950 2.065 3.835 3.157 3.024 3.299 . 0 0 "[ . 1 . ]" 1
799 1 69 LEU HA 1 70 PHE H 3.270 2.289 4.251 3.566 3.561 3.571 . 0 0 "[ . 1 . ]" 1
800 1 69 LEU HA 1 70 PHE HD1 4.500 3.150 5.850 5.493 4.623 5.842 . 0 0 "[ . 1 . ]" 1
801 1 69 LEU HA 1 90 ASN HD22 4.990 3.493 6.487 4.767 4.089 5.277 . 0 0 "[ . 1 . ]" 1
802 1 69 LEU HB2 1 70 PHE H 2.780 . 3.614 3.626 3.590 3.640 0.026 14 0 "[ . 1 . ]" 1
803 1 69 LEU MD1 1 90 ASN HD21 3.720 2.604 4.836 3.419 3.029 4.042 . 0 0 "[ . 1 . ]" 1
804 1 69 LEU MD1 1 90 ASN HD22 3.220 2.254 4.186 3.384 2.859 3.491 . 0 0 "[ . 1 . ]" 1
805 1 69 LEU MD2 1 70 PHE H 4.320 3.024 5.616 3.779 3.434 4.110 . 0 0 "[ . 1 . ]" 1
806 1 69 LEU MD2 1 70 PHE HE1 3.130 2.191 4.069 3.014 2.189 3.393 0.002 14 0 "[ . 1 . ]" 1
807 1 69 LEU HG 1 70 PHE H 3.320 2.324 4.316 3.261 3.121 3.501 . 0 0 "[ . 1 . ]" 1
808 1 70 PHE H 1 70 PHE HA 2.700 . 3.510 2.820 2.794 2.843 . 0 0 "[ . 1 . ]" 1
809 1 70 PHE H 1 70 PHE HB2 3.520 2.464 4.576 2.528 2.451 2.659 0.013 13 0 "[ . 1 . ]" 1
810 1 70 PHE H 1 70 PHE HB3 3.130 2.191 4.069 3.594 3.585 3.598 . 0 0 "[ . 1 . ]" 1
811 1 70 PHE HA 1 70 PHE HB2 3.220 2.254 4.186 3.025 3.021 3.027 . 0 0 "[ . 1 . ]" 1
812 1 70 PHE HA 1 70 PHE HB3 3.220 2.254 4.186 2.465 2.397 2.508 . 0 0 "[ . 1 . ]" 1
813 1 70 PHE HA 1 71 GLY H 3.370 2.359 4.381 3.475 3.473 3.476 . 0 0 "[ . 1 . ]" 1
814 1 70 PHE HB2 1 70 PHE HD2 2.950 2.065 3.835 2.369 2.307 2.717 . 0 0 "[ . 1 . ]" 1
815 1 70 PHE HB2 1 72 VAL H 4.000 2.800 5.200 3.077 2.925 3.326 . 0 0 "[ . 1 . ]" 1
816 1 70 PHE HB2 1 72 VAL MG2 2.550 . 3.315 2.245 2.024 2.472 . 0 0 "[ . 1 . ]" 1
817 1 70 PHE HB3 1 70 PHE HD2 2.700 . 3.510 3.145 2.674 3.275 . 0 0 "[ . 1 . ]" 1
818 1 70 PHE HB3 1 71 GLY H 3.220 2.254 4.186 3.950 3.879 4.056 . 0 0 "[ . 1 . ]" 1
819 1 70 PHE HB3 1 72 VAL H 3.370 2.359 4.381 4.155 3.892 4.382 0.001 7 0 "[ . 1 . ]" 1
820 1 70 PHE HB3 1 72 VAL MG2 2.670 . 3.471 2.746 2.517 2.894 . 0 0 "[ . 1 . ]" 1
821 1 70 PHE HD1 1 87 ILE HA 3.520 2.464 4.576 4.046 3.581 4.584 0.008 2 0 "[ . 1 . ]" 1
822 1 70 PHE HD2 1 86 MET ME 2.860 2.002 3.718 2.852 2.378 3.379 . 0 0 "[ . 1 . ]" 1
823 1 70 PHE HE1 1 87 ILE HA 3.220 2.254 4.186 2.623 2.246 3.350 0.008 4 0 "[ . 1 . ]" 1
824 1 71 GLY H 1 71 GLY HA2 2.950 2.065 3.835 2.333 2.315 2.358 . 0 0 "[ . 1 . ]" 1
825 1 71 GLY H 1 71 GLY HA3 2.700 . 3.510 2.901 2.880 2.923 . 0 0 "[ . 1 . ]" 1
826 1 71 GLY H 1 72 VAL H 2.950 2.065 3.835 2.378 2.257 2.489 . 0 0 "[ . 1 . ]" 1
827 1 71 GLY HA2 1 72 VAL H 3.520 2.464 4.576 2.919 2.823 3.020 . 0 0 "[ . 1 . ]" 1
828 1 71 GLY HA3 1 72 VAL H 2.950 2.065 3.835 3.507 3.471 3.541 . 0 0 "[ . 1 . ]" 1
829 1 72 VAL H 1 72 VAL MG1 3.040 2.128 3.952 3.103 2.948 3.282 . 0 0 "[ . 1 . ]" 1
830 1 72 VAL H 1 72 VAL MG2 2.470 . 3.211 2.152 1.966 2.428 . 0 0 "[ . 1 . ]" 1
831 1 72 VAL HB 1 73 GLN H 3.220 2.254 4.186 2.453 2.252 2.773 0.002 11 0 "[ . 1 . ]" 1
832 1 72 VAL HB 1 74 GLU H 2.700 . 3.510 2.686 2.394 2.765 . 0 0 "[ . 1 . ]" 1
833 1 72 VAL MG2 1 73 GLN H 3.540 2.478 4.602 3.510 3.311 3.689 . 0 0 "[ . 1 . ]" 1
834 1 72 VAL MG2 1 74 GLU H 3.050 2.135 3.965 3.251 2.683 3.308 . 0 0 "[ . 1 . ]" 1
835 1 72 VAL MG2 1 75 PHE H 4.520 3.164 5.876 4.540 4.398 4.800 . 0 0 "[ . 1 . ]" 1
836 1 73 GLN H 1 73 GLN HG2 3.320 2.324 4.316 3.729 2.323 4.349 0.033 12 0 "[ . 1 . ]" 1
837 1 73 GLN H 1 73 GLN HG3 3.520 2.464 4.576 4.348 3.658 4.593 0.017 17 0 "[ . 1 . ]" 1
838 1 73 GLN HG2 1 74 GLU H 3.520 2.464 4.576 4.031 3.795 4.578 0.002 1 0 "[ . 1 . ]" 1
839 1 74 GLU H 1 74 GLU HA 3.320 2.324 4.316 2.893 2.771 2.937 . 0 0 "[ . 1 . ]" 1
840 1 74 GLU H 1 74 GLU HB2 3.320 2.324 4.316 3.872 3.105 4.055 . 0 0 "[ . 1 . ]" 1
841 1 74 GLU H 1 74 GLU HB3 4.250 2.975 5.525 3.447 3.291 3.979 . 0 0 "[ . 1 . ]" 1
842 1 74 GLU H 1 74 GLU HG3 3.220 2.254 4.186 3.315 2.369 4.024 . 0 0 "[ . 1 . ]" 1
843 1 74 GLU H 1 75 PHE H 4.000 2.800 5.200 4.304 3.906 4.426 . 0 0 "[ . 1 . ]" 1
844 1 74 GLU HA 1 74 GLU HB2 2.950 2.065 3.835 2.509 2.431 2.998 . 0 0 "[ . 1 . ]" 1
845 1 74 GLU HA 1 74 GLU HB3 2.950 2.065 3.835 2.413 2.333 2.466 . 0 0 "[ . 1 . ]" 1
846 1 74 GLU HA 1 74 GLU HG2 3.130 2.191 4.069 3.654 2.794 3.996 . 0 0 "[ . 1 . ]" 1
847 1 74 GLU HA 1 75 PHE H 2.700 . 3.510 2.255 2.150 2.370 . 0 0 "[ . 1 . ]" 1
848 1 75 PHE H 1 75 PHE HB2 3.520 2.464 4.576 4.008 3.996 4.030 . 0 0 "[ . 1 . ]" 1
849 1 75 PHE H 1 75 PHE HB3 3.370 2.359 4.381 3.408 3.326 3.438 . 0 0 "[ . 1 . ]" 1
850 1 75 PHE H 1 75 PHE QD 3.220 2.254 4.186 3.009 2.774 3.268 . 0 0 "[ . 1 . ]" 1
851 1 75 PHE HB2 1 75 PHE QD 2.950 2.065 3.835 2.356 2.308 2.424 . 0 0 "[ . 1 . ]" 1
852 1 75 PHE HB2 1 76 SER H 3.520 2.464 4.576 3.145 2.656 3.445 . 0 0 "[ . 1 . ]" 1
853 1 75 PHE HB3 1 75 PHE QD 3.130 2.191 4.069 2.418 2.350 2.483 . 0 0 "[ . 1 . ]" 1
854 1 75 PHE HB3 1 86 MET ME 3.420 2.394 4.446 4.001 3.441 4.193 . 0 0 "[ . 1 . ]" 1
855 1 75 PHE QD 1 76 SER HA 3.520 2.464 4.576 4.345 3.995 4.507 . 0 0 "[ . 1 . ]" 1
856 1 75 PHE QE 1 77 VAL QG 2.470 . 3.211 2.517 2.139 2.666 . 0 0 "[ . 1 . ]" 1
857 1 75 PHE QE 1 83 ILE MD 2.700 . 3.510 2.744 2.203 2.924 . 0 0 "[ . 1 . ]" 1
858 1 75 PHE QE 2 1 IMY H17 2.130 . 2.769 3.182 2.537 4.206 1.437 17 10 "[ * *** ** * .-+*]" 1
859 1 76 SER H 1 76 SER HB2 3.220 2.254 4.186 2.936 2.269 3.653 . 0 0 "[ . 1 . ]" 1
860 1 76 SER H 1 76 SER HB3 3.320 2.324 4.316 3.076 2.331 3.656 . 0 0 "[ . 1 . ]" 1
861 1 76 SER HA 1 76 SER HB2 3.320 2.324 4.316 2.709 2.374 3.024 . 0 0 "[ . 1 . ]" 1
862 1 76 SER HA 1 76 SER HB3 3.220 2.254 4.186 2.597 2.282 3.030 . 0 0 "[ . 1 . ]" 1
863 1 76 SER HA 1 77 VAL H 2.860 2.002 3.718 2.182 2.143 2.252 . 0 0 "[ . 1 . ]" 1
864 1 76 SER HA 1 77 VAL QG 3.820 2.674 4.966 3.361 3.320 3.431 . 0 0 "[ . 1 . ]" 1
865 1 77 VAL H 1 77 VAL HA 3.220 2.254 4.186 2.849 2.795 2.909 . 0 0 "[ . 1 . ]" 1
866 1 77 VAL H 1 77 VAL QG 2.550 . 3.315 1.892 1.829 1.982 . 0 0 "[ . 1 . ]" 1
867 1 77 VAL H 1 78 LYS H 3.420 2.394 4.446 2.657 2.604 2.717 . 0 0 "[ . 1 . ]" 1
868 1 77 VAL H 1 83 ILE MD 4.500 3.150 5.850 4.247 3.960 4.615 . 0 0 "[ . 1 . ]" 1
869 1 77 VAL HA 1 77 VAL QG . 2.429 3.029 2.199 2.043 2.236 0.386 14 0 "[ . 1 . ]" 1
870 1 77 VAL HA 1 78 LYS H 3.220 2.254 4.186 3.308 3.144 3.421 . 0 0 "[ . 1 . ]" 1
871 1 77 VAL HA 1 79 GLU H 3.420 2.394 4.446 3.697 3.442 4.171 . 0 0 "[ . 1 . ]" 1
872 1 77 VAL HA 1 83 ILE MD 2.470 . 3.211 1.981 1.828 2.331 . 0 0 "[ . 1 . ]" 1
873 1 77 VAL HA 2 1 IMY H23 3.040 2.128 3.952 4.604 3.634 5.463 1.511 17 12 "[****.* *-* ** . +*]" 1
874 1 77 VAL HA 2 1 IMY H24 4.000 2.800 5.200 4.494 3.789 5.242 0.042 17 0 "[ . 1 . ]" 1
875 1 77 VAL HB 2 1 IMY H18 3.040 2.128 3.952 3.795 3.393 4.229 0.277 10 0 "[ . 1 . ]" 1
876 1 77 VAL HB 2 1 IMY H23 3.220 2.254 4.186 4.171 3.386 5.258 1.072 17 2 "[ . - 1 . + ]" 1
877 1 77 VAL HB 2 1 IMY H24 2.700 . 3.510 2.801 2.056 3.906 0.396 17 0 "[ . 1 . ]" 1
878 1 77 VAL QG 1 78 LYS H 3.470 2.429 4.511 2.801 2.511 3.211 . 0 0 "[ . 1 . ]" 1
879 1 77 VAL QG 1 79 GLU H 4.990 3.493 6.487 4.475 4.228 4.759 . 0 0 "[ . 1 . ]" 1
880 1 77 VAL QG 1 80 HIS HD2 4.040 2.828 5.252 4.058 3.803 4.165 . 0 0 "[ . 1 . ]" 1
881 1 77 VAL QG 2 1 IMY H18 . 2.240 2.938 2.359 1.724 3.099 0.516 14 1 "[ . 1 +. ]" 1
882 1 77 VAL QG 2 1 IMY H23 3.540 2.478 4.602 3.954 2.790 4.827 0.225 17 0 "[ . 1 . ]" 1
883 1 77 VAL QG 2 1 IMY H24 3.820 2.674 3.952 2.986 1.660 4.075 1.014 14 1 "[ . 1 +. ]" 1
884 1 77 VAL QG 2 1 IMY H25 3.780 2.646 4.914 3.352 2.538 4.985 0.108 5 0 "[ . 1 . ]" 1
885 1 78 LYS H 1 78 LYS HA 2.860 2.002 3.718 2.797 2.753 2.886 . 0 0 "[ . 1 . ]" 1
886 1 78 LYS H 1 78 LYS HB3 3.220 2.254 4.186 2.914 2.471 3.550 . 0 0 "[ . 1 . ]" 1
887 1 78 LYS H 1 78 LYS HD2 4.500 3.150 5.850 4.766 3.898 5.852 0.002 13 0 "[ . 1 . ]" 1
888 1 78 LYS H 1 79 GLU H 3.130 2.191 4.069 2.656 2.353 2.910 . 0 0 "[ . 1 . ]" 1
889 1 78 LYS HA 1 78 LYS HB2 2.630 . 3.419 2.652 2.451 2.992 . 0 0 "[ . 1 . ]" 1
890 1 78 LYS HA 1 78 LYS HB3 3.130 2.191 4.069 2.941 2.629 3.025 . 0 0 "[ . 1 . ]" 1
891 1 78 LYS HA 1 78 LYS HG3 2.470 . 3.211 2.594 2.243 2.913 . 0 0 "[ . 1 . ]" 1
892 1 78 LYS HA 1 79 GLU H 3.520 2.464 4.576 3.499 3.473 3.563 . 0 0 "[ . 1 . ]" 1
893 1 79 GLU H 1 79 GLU HA 3.520 2.464 4.576 2.915 2.869 2.930 . 0 0 "[ . 1 . ]" 1
894 1 79 GLU H 1 79 GLU HB2 3.320 2.324 4.316 2.487 2.321 3.619 0.003 12 0 "[ . 1 . ]" 1
895 1 79 GLU H 1 79 GLU HB3 2.950 2.065 3.835 3.585 2.979 3.680 . 0 0 "[ . 1 . ]" 1
896 1 79 GLU H 1 79 GLU HG2 2.860 2.002 3.718 3.004 2.004 3.686 . 0 0 "[ . 1 . ]" 1
897 1 79 GLU H 1 79 GLU HG3 3.220 2.254 4.186 3.215 2.613 3.870 . 0 0 "[ . 1 . ]" 1
898 1 79 GLU H 1 83 ILE MD 4.320 3.024 5.616 4.231 3.493 4.656 . 0 0 "[ . 1 . ]" 1
899 1 79 GLU HA 1 80 HIS H 2.260 . 2.938 2.336 2.294 2.438 . 0 0 "[ . 1 . ]" 1
900 1 80 HIS H 1 80 HIS HA 2.950 2.065 3.835 2.783 2.761 2.801 . 0 0 "[ . 1 . ]" 1
901 1 80 HIS HA 1 80 HIS HB2 2.700 . 3.510 3.015 3.008 3.025 . 0 0 "[ . 1 . ]" 1
902 1 80 HIS HA 1 83 ILE H 3.320 2.324 4.316 3.449 3.245 3.633 . 0 0 "[ . 1 . ]" 1
903 1 80 HIS HA 1 83 ILE HB 2.950 2.065 3.835 3.027 2.778 3.279 . 0 0 "[ . 1 . ]" 1
904 1 80 HIS HA 1 83 ILE MD 2.860 2.002 3.718 2.944 2.094 3.104 . 0 0 "[ . 1 . ]" 1
905 1 80 HIS HA 1 83 ILE MG 4.220 2.954 5.486 4.392 4.067 4.575 . 0 0 "[ . 1 . ]" 1
906 1 80 HIS HA 1 84 TYR H 4.250 2.975 5.525 3.853 3.422 4.143 . 0 0 "[ . 1 . ]" 1
907 1 80 HIS HA 2 1 IMY H23 3.040 2.128 3.952 2.799 2.407 3.132 . 0 0 "[ . 1 . ]" 1
908 1 81 ARG HA 1 81 ARG HG2 2.780 . 3.614 2.701 2.040 3.631 0.017 4 0 "[ . 1 . ]" 1
909 1 81 ARG HA 1 82 ARG H 3.320 2.324 4.316 3.514 3.484 3.553 . 0 0 "[ . 1 . ]" 1
910 1 81 ARG HA 1 85 ALA H 3.520 2.464 4.576 4.296 4.014 4.492 . 0 0 "[ . 1 . ]" 1
911 1 82 ARG H 1 82 ARG HA 2.860 2.002 3.718 2.841 2.803 2.880 . 0 0 "[ . 1 . ]" 1
912 1 82 ARG H 1 82 ARG HB2 2.780 . 3.614 2.166 2.076 2.371 . 0 0 "[ . 1 . ]" 1
913 1 82 ARG H 1 82 ARG HB3 2.700 . 3.510 3.224 2.687 3.511 0.001 3 0 "[ . 1 . ]" 1
914 1 82 ARG H 1 82 ARG HD2 4.990 3.493 6.487 4.821 3.647 5.681 . 0 0 "[ . 1 . ]" 1
915 1 82 ARG H 1 82 ARG HD3 4.500 3.150 5.850 4.833 3.375 5.837 . 0 0 "[ . 1 . ]" 1
916 1 82 ARG H 1 83 ILE H 3.220 2.254 4.186 2.665 2.472 2.763 . 0 0 "[ . 1 . ]" 1
917 1 82 ARG HA 1 82 ARG HB2 2.950 2.065 3.835 2.835 2.535 2.986 . 0 0 "[ . 1 . ]" 1
918 1 82 ARG HA 1 82 ARG HB3 2.470 . 3.211 2.824 2.642 3.018 . 0 0 "[ . 1 . ]" 1
919 1 82 ARG HA 1 82 ARG HG2 2.500 . 3.250 2.612 2.088 3.248 . 0 0 "[ . 1 . ]" 1
920 1 82 ARG HA 1 83 ILE H 3.180 2.226 4.134 3.553 3.463 3.571 . 0 0 "[ . 1 . ]" 1
921 1 82 ARG HA 1 85 ALA MB 2.830 . 3.679 2.877 2.463 3.068 . 0 0 "[ . 1 . ]" 1
922 1 82 ARG HB2 1 83 ILE H 3.130 2.191 4.069 3.046 2.492 3.693 . 0 0 "[ . 1 . ]" 1
923 1 83 ILE H 1 83 ILE MD 3.680 2.576 4.784 3.502 2.508 3.790 0.068 18 0 "[ . 1 . ]" 1
924 1 83 ILE H 1 83 ILE MG 4.320 3.024 5.616 3.766 3.762 3.774 . 0 0 "[ . 1 . ]" 1
925 1 83 ILE H 1 84 TYR H 3.220 2.254 4.186 2.852 2.741 2.964 . 0 0 "[ . 1 . ]" 1
926 1 83 ILE HA 1 83 ILE MD 3.470 2.429 4.511 3.783 3.760 3.800 . 0 0 "[ . 1 . ]" 1
927 1 83 ILE HA 1 83 ILE HG12 2.700 . 3.510 2.568 2.416 3.184 . 0 0 "[ . 1 . ]" 1
928 1 83 ILE HA 1 83 ILE HG13 2.470 . 3.211 3.093 2.448 3.215 0.004 3 0 "[ . 1 . ]" 1
929 1 83 ILE HA 1 83 ILE MG 2.470 . 3.211 2.335 2.230 2.417 . 0 0 "[ . 1 . ]" 1
930 1 83 ILE HA 1 84 TYR H 3.520 2.464 4.576 3.568 3.557 3.582 . 0 0 "[ . 1 . ]" 1
931 1 83 ILE HA 1 86 MET H 3.520 2.464 4.576 3.410 3.192 3.704 . 0 0 "[ . 1 . ]" 1
932 1 83 ILE HA 1 86 MET HB3 3.000 2.100 3.900 3.631 2.093 3.936 0.036 16 0 "[ . 1 . ]" 1
933 1 83 ILE HA 1 86 MET ME 2.260 . 2.938 2.332 1.933 2.723 . 0 0 "[ . 1 . ]" 1
934 1 83 ILE HA 1 86 MET HG2 3.520 2.464 4.576 3.324 2.445 4.413 0.019 11 0 "[ . 1 . ]" 1
935 1 83 ILE HA 1 87 ILE H 3.420 2.394 4.446 3.783 3.530 4.290 . 0 0 "[ . 1 . ]" 1
936 1 83 ILE HB 1 84 TYR H 3.040 2.128 3.952 2.295 2.123 2.495 0.005 12 0 "[ . 1 . ]" 1
937 1 83 ILE HB 2 1 IMY H23 3.320 2.324 4.316 3.230 2.521 3.810 . 0 0 "[ . 1 . ]" 1
938 1 83 ILE MD 1 84 TYR H 4.990 3.493 6.487 4.334 3.731 4.555 . 0 0 "[ . 1 . ]" 1
939 1 83 ILE MD 2 1 IMY H17 3.280 2.296 4.264 3.443 2.480 4.282 0.018 9 0 "[ . 1 . ]" 1
940 1 83 ILE MD 2 1 IMY H23 2.260 . 2.938 2.340 1.283 3.039 0.299 14 0 "[ . 1 . ]" 1
941 1 83 ILE MD 2 1 IMY H24 3.700 2.590 4.810 3.127 2.680 3.753 . 0 0 "[ . 1 . ]" 1
942 1 83 ILE MG 1 84 TYR H 3.620 2.534 4.706 3.269 2.809 3.500 . 0 0 "[ . 1 . ]" 1
943 1 83 ILE MG 2 1 IMY H15 3.820 2.674 4.966 3.667 3.162 4.308 . 0 0 "[ . 1 . ]" 1
944 1 83 ILE MG 2 1 IMY H23 3.550 2.485 4.615 3.436 2.887 4.222 . 0 0 "[ . 1 . ]" 1
945 1 84 TYR H 1 84 TYR HA 2.860 2.002 3.718 2.755 2.722 2.787 . 0 0 "[ . 1 . ]" 1
946 1 84 TYR H 1 84 TYR HD2 3.520 2.464 4.576 4.577 2.839 5.117 0.541 5 3 "[ + *1 - . ]" 1
947 1 84 TYR H 1 85 ALA H 3.220 2.254 4.186 2.819 2.736 2.866 . 0 0 "[ . 1 . ]" 1
948 1 84 TYR H 1 87 ILE MD 4.990 3.493 6.487 4.750 3.805 5.165 . 0 0 "[ . 1 . ]" 1
949 1 84 TYR HA 1 84 TYR HB3 2.780 . 3.614 2.930 2.510 3.025 . 0 0 "[ . 1 . ]" 1
950 1 84 TYR HA 1 85 ALA H 3.520 2.464 4.576 3.512 3.452 3.564 . 0 0 "[ . 1 . ]" 1
951 1 84 TYR HA 1 87 ILE H 3.520 2.464 4.576 4.037 3.676 4.366 . 0 0 "[ . 1 . ]" 1
952 1 84 TYR HA 1 87 ILE MD 3.700 2.590 4.810 2.468 2.178 2.805 0.412 15 0 "[ . 1 . ]" 1
953 1 84 TYR HA 1 88 SER H 4.990 3.493 6.487 4.253 4.059 4.583 . 0 0 "[ . 1 . ]" 1
954 1 84 TYR HB2 1 85 ALA H 3.220 2.254 4.186 3.582 2.794 4.005 . 0 0 "[ . 1 . ]" 1
955 1 84 TYR HD1 1 87 ILE MD 3.950 2.765 5.135 4.035 3.166 5.737 0.602 17 1 "[ . 1 . + ]" 1
956 1 84 TYR HD2 1 85 ALA H 4.990 3.493 6.487 5.172 4.043 5.897 . 0 0 "[ . 1 . ]" 1
957 1 85 ALA H 1 85 ALA HA 2.900 2.030 3.770 2.862 2.828 2.881 . 0 0 "[ . 1 . ]" 1
958 1 85 ALA H 1 86 MET H 2.860 2.002 3.718 2.584 2.409 2.827 . 0 0 "[ . 1 . ]" 1
959 1 85 ALA H 1 87 ILE H 4.250 2.975 5.525 4.305 3.822 4.853 . 0 0 "[ . 1 . ]" 1
960 1 85 ALA HA 1 86 MET H 3.420 2.394 4.446 3.532 3.448 3.581 . 0 0 "[ . 1 . ]" 1
961 1 85 ALA HA 1 88 SER H 3.220 2.254 4.186 3.572 3.446 3.712 . 0 0 "[ . 1 . ]" 1
962 1 85 ALA HA 1 89 ARG H 3.520 2.464 4.576 4.335 3.939 4.584 0.008 7 0 "[ . 1 . ]" 1
963 1 85 ALA MB 1 86 MET H 2.760 . 3.588 2.552 2.140 2.978 . 0 0 "[ . 1 . ]" 1
964 1 86 MET H 1 86 MET HA 2.950 2.065 3.835 2.802 2.747 2.851 . 0 0 "[ . 1 . ]" 1
965 1 86 MET H 1 86 MET HB2 3.520 2.464 4.576 3.020 2.439 3.583 0.025 13 0 "[ . 1 . ]" 1
966 1 86 MET H 1 86 MET HB3 2.950 2.065 3.835 2.790 2.146 3.588 . 0 0 "[ . 1 . ]" 1
967 1 86 MET H 1 86 MET ME 4.000 2.800 5.200 4.398 3.950 4.598 . 0 0 "[ . 1 . ]" 1
968 1 86 MET H 1 86 MET HG2 3.130 2.191 4.069 3.091 2.565 4.103 0.034 6 0 "[ . 1 . ]" 1
969 1 86 MET H 1 86 MET HG3 3.220 2.254 4.186 3.448 2.300 4.315 0.129 3 0 "[ . 1 . ]" 1
970 1 86 MET H 1 87 ILE H 3.130 2.191 4.069 2.825 2.598 3.056 . 0 0 "[ . 1 . ]" 1
971 1 86 MET H 1 89 ARG HD2 4.990 3.493 6.487 4.946 4.164 5.986 . 0 0 "[ . 1 . ]" 1
972 1 86 MET HA 1 86 MET HB2 2.860 2.002 3.718 2.606 2.309 3.025 . 0 0 "[ . 1 . ]" 1
973 1 86 MET HA 1 86 MET HB3 2.950 2.065 3.835 2.608 2.493 2.987 . 0 0 "[ . 1 . ]" 1
974 1 86 MET HA 1 86 MET HG2 2.860 2.002 3.718 3.217 2.309 3.755 0.037 10 0 "[ . 1 . ]" 1
975 1 86 MET HA 1 87 ILE H 3.420 2.394 4.446 3.553 3.524 3.574 . 0 0 "[ . 1 . ]" 1
976 1 86 MET HA 1 89 ARG H 3.520 2.464 4.576 3.596 3.382 3.811 . 0 0 "[ . 1 . ]" 1
977 1 86 MET HA 1 89 ARG HB2 3.320 2.324 4.316 3.629 2.983 4.426 0.110 16 0 "[ . 1 . ]" 1
978 1 86 MET HA 1 89 ARG HD2 3.130 2.191 4.069 3.214 2.663 4.069 0.000 5 0 "[ . 1 . ]" 1
979 1 86 MET HA 1 89 ARG HG3 2.950 2.065 3.835 3.478 2.046 3.844 0.019 15 0 "[ . 1 . ]" 1
980 1 86 MET ME 1 87 ILE H 3.520 2.464 4.576 3.995 3.693 4.310 . 0 0 "[ . 1 . ]" 1
981 1 87 ILE H 1 87 ILE HA 2.950 2.065 3.835 2.805 2.744 2.856 . 0 0 "[ . 1 . ]" 1
982 1 87 ILE H 1 87 ILE MD 3.780 2.646 4.914 3.589 2.637 3.744 0.009 2 0 "[ . 1 . ]" 1
983 1 87 ILE H 1 87 ILE MG 3.780 2.646 4.914 2.406 2.222 3.755 0.424 1 0 "[ . 1 . ]" 1
984 1 87 ILE H 1 88 SER H 3.220 2.254 4.186 2.653 2.496 2.853 . 0 0 "[ . 1 . ]" 1
985 1 87 ILE HA 1 87 ILE MD 3.550 2.485 4.615 3.810 3.743 3.856 . 0 0 "[ . 1 . ]" 1
986 1 87 ILE HA 1 87 ILE HG13 3.040 2.128 3.952 3.473 2.608 3.539 . 0 0 "[ . 1 . ]" 1
987 1 87 ILE HA 1 87 ILE MG 2.830 . 3.679 2.311 2.180 2.388 . 0 0 "[ . 1 . ]" 1
988 1 87 ILE HA 1 88 SER H 3.320 2.324 4.316 3.498 3.469 3.543 . 0 0 "[ . 1 . ]" 1
989 1 87 ILE HA 1 90 ASN H 3.520 2.464 4.576 3.423 3.144 3.703 . 0 0 "[ . 1 . ]" 1
990 1 87 ILE HA 1 90 ASN HB3 3.220 2.254 4.186 4.180 4.034 4.205 0.019 14 0 "[ . 1 . ]" 1
991 1 87 ILE HA 1 90 ASN HD21 3.220 2.254 4.186 3.148 2.622 4.217 0.031 7 0 "[ . 1 . ]" 1
992 1 87 ILE HA 1 90 ASN HD22 4.990 3.493 6.487 4.185 3.491 5.649 0.002 17 0 "[ . 1 . ]" 1
993 1 87 ILE HA 1 91 LEU H 4.990 3.493 6.487 5.834 4.472 6.138 . 0 0 "[ . 1 . ]" 1
994 1 87 ILE HB 1 88 SER H 3.040 2.128 3.952 3.724 2.578 3.850 . 0 0 "[ . 1 . ]" 1
995 1 87 ILE HB 1 89 ARG H 4.500 3.150 5.850 5.654 5.197 5.855 0.005 16 0 "[ . 1 . ]" 1
996 1 87 ILE MG 1 88 SER H 4.720 3.304 6.136 4.020 3.610 4.126 . 0 0 "[ . 1 . ]" 1
997 1 88 SER H 1 88 SER HA 2.820 . 3.666 2.821 2.755 2.875 . 0 0 "[ . 1 . ]" 1
998 1 88 SER H 1 89 ARG H 2.700 . 3.510 2.661 2.469 2.904 . 0 0 "[ . 1 . ]" 1
999 1 88 SER H 1 91 LEU HG 4.990 3.493 6.487 4.732 4.046 5.124 . 0 0 "[ . 1 . ]" 1
1000 1 88 SER HA 1 89 ARG H 3.040 2.128 3.952 3.537 3.490 3.563 . 0 0 "[ . 1 . ]" 1
1001 1 88 SER HA 1 90 ASN H 3.220 2.254 4.186 3.830 3.700 3.972 . 0 0 "[ . 1 . ]" 1
1002 1 88 SER HA 1 91 LEU H 3.520 2.464 4.576 4.469 3.232 4.591 0.015 1 0 "[ . 1 . ]" 1
1003 1 88 SER HA 1 91 LEU MD1 2.400 . 3.120 1.903 1.818 2.012 . 0 0 "[ . 1 . ]" 1
1004 1 89 ARG H 1 89 ARG HA 2.780 . 3.614 2.835 2.790 2.873 . 0 0 "[ . 1 . ]" 1
1005 1 89 ARG H 1 89 ARG HD2 3.520 2.464 4.576 3.908 3.592 4.431 . 0 0 "[ . 1 . ]" 1
1006 1 89 ARG H 1 90 ASN H 2.780 . 3.614 2.586 2.449 2.691 . 0 0 "[ . 1 . ]" 1
1007 1 89 ARG H 1 91 LEU H 4.000 2.800 5.200 4.591 4.109 4.805 . 0 0 "[ . 1 . ]" 1
1008 1 89 ARG HA 1 89 ARG HG2 2.630 . 3.419 2.935 2.445 3.534 0.115 8 0 "[ . 1 . ]" 1
1009 1 89 ARG HA 1 90 ASN H 3.090 2.163 4.017 3.403 3.326 3.470 . 0 0 "[ . 1 . ]" 1
1010 1 89 ARG HB3 1 89 ARG HD3 2.470 . 3.211 2.960 2.524 3.258 0.047 15 0 "[ . 1 . ]" 1
1011 1 89 ARG HB3 1 90 ASN H 3.520 2.464 4.576 4.180 3.839 4.516 . 0 0 "[ . 1 . ]" 1
1012 1 89 ARG HD3 1 90 ASN H 4.990 3.493 6.487 5.231 4.682 6.186 . 0 0 "[ . 1 . ]" 1
1013 1 89 ARG HD3 1 90 ASN HD22 4.990 3.493 6.487 6.187 5.465 6.511 0.024 15 0 "[ . 1 . ]" 1
1014 1 90 ASN H 1 90 ASN HB3 3.040 2.128 3.952 3.593 3.382 3.663 . 0 0 "[ . 1 . ]" 1
1015 1 90 ASN H 1 90 ASN HD21 3.520 2.464 4.576 4.047 2.650 4.371 . 0 0 "[ . 1 . ]" 1
1016 1 90 ASN H 1 91 LEU H 2.780 . 3.614 2.863 2.357 3.133 . 0 0 "[ . 1 . ]" 1
1017 1 90 ASN H 1 91 LEU MD2 4.990 3.493 6.487 4.197 3.473 5.043 0.020 7 0 "[ . 1 . ]" 1
1018 1 90 ASN HA 1 91 LEU H 3.220 2.254 4.186 2.963 2.764 3.496 . 0 0 "[ . 1 . ]" 1
1019 1 90 ASN HB2 1 90 ASN HD21 3.420 2.394 4.446 2.441 2.307 3.441 0.087 14 0 "[ . 1 . ]" 1
1020 1 90 ASN HB2 1 90 ASN HD22 3.750 2.625 4.875 3.568 3.522 4.034 . 0 0 "[ . 1 . ]" 1
1021 1 90 ASN HB3 1 90 ASN HD21 3.130 2.191 4.069 2.828 2.647 3.530 . 0 0 "[ . 1 . ]" 1
1022 1 90 ASN HB3 1 90 ASN HD22 3.520 2.464 4.576 3.738 3.654 4.082 . 0 0 "[ . 1 . ]" 1
1023 1 91 LEU H 1 91 LEU HA 3.220 2.254 4.186 2.935 2.760 2.949 . 0 0 "[ . 1 . ]" 1
1024 1 91 LEU H 1 91 LEU HB2 3.320 2.324 4.316 2.732 2.509 2.878 . 0 0 "[ . 1 . ]" 1
1025 1 91 LEU H 1 91 LEU HB3 2.950 2.065 3.835 3.756 3.587 3.839 0.004 2 0 "[ . 1 . ]" 1
1026 1 91 LEU H 1 91 LEU MD1 4.040 2.828 5.252 3.758 3.512 4.162 . 0 0 "[ . 1 . ]" 1
1027 1 91 LEU H 1 91 LEU HG 2.950 2.065 3.835 2.620 2.058 3.226 0.007 17 0 "[ . 1 . ]" 1
1028 1 91 LEU H 1 92 VAL H 4.000 2.800 5.200 4.239 4.079 4.521 . 0 0 "[ . 1 . ]" 1
1029 1 91 LEU HA 1 91 LEU HB2 3.220 2.254 4.186 3.007 2.972 3.019 . 0 0 "[ . 1 . ]" 1
1030 1 91 LEU HA 1 91 LEU HG 3.040 2.128 3.952 3.133 2.731 3.513 . 0 0 "[ . 1 . ]" 1
1031 1 91 LEU HA 1 92 VAL H 2.950 2.065 3.835 2.154 2.142 2.190 . 0 0 "[ . 1 . ]" 1
1032 1 91 LEU HB2 1 92 VAL H 3.520 2.464 4.576 4.218 3.719 4.402 . 0 0 "[ . 1 . ]" 1
1033 1 91 LEU HB3 1 92 VAL H 4.500 3.150 5.850 3.566 3.157 3.742 . 0 0 "[ . 1 . ]" 1
1034 1 91 LEU MD2 1 92 VAL H 4.040 2.828 5.252 3.982 3.418 4.330 . 0 0 "[ . 1 . ]" 1
1035 1 92 VAL H 1 92 VAL HA 2.950 2.065 3.835 2.805 2.740 2.908 . 0 0 "[ . 1 . ]" 1
1036 1 92 VAL H 1 92 VAL MG2 2.260 . 2.938 1.905 1.792 1.994 . 0 0 "[ . 1 . ]" 1
1037 1 92 VAL H 1 93 SER H 3.520 2.464 4.576 3.000 2.440 3.644 0.024 7 0 "[ . 1 . ]" 1
1038 1 92 VAL HA 1 93 SER H 2.950 2.065 3.835 3.561 3.494 3.581 . 0 0 "[ . 1 . ]" 1
1039 1 92 VAL MG2 1 93 SER H 2.470 . 3.211 1.822 1.753 1.887 . 0 0 "[ . 1 . ]" 1
1040 1 93 SER H 1 93 SER HA 2.950 2.065 3.835 2.938 2.928 2.941 . 0 0 "[ . 1 . ]" 1
1041 1 93 SER HA 1 94 ALA H 2.950 2.065 3.835 2.200 2.143 2.356 . 0 0 "[ . 1 . ]" 1
1042 1 94 ALA H 1 94 ALA HA 3.220 2.254 4.186 2.939 2.855 2.950 . 0 0 "[ . 1 . ]" 1
1043 1 94 ALA HA 1 95 ASN H 2.950 2.065 3.835 2.198 2.144 2.319 . 0 0 "[ . 1 . ]" 1
1044 1 94 ALA MB 1 95 ASN H 3.780 2.646 4.914 3.129 2.609 3.561 0.037 17 0 "[ . 1 . ]" 1
1045 1 95 ASN H 1 95 ASN HA 3.220 2.254 4.186 2.858 2.779 2.942 . 0 0 "[ . 1 . ]" 1
1046 1 95 ASN H 1 95 ASN HD21 3.220 2.254 4.186 3.778 2.376 4.215 0.029 12 0 "[ . 1 . ]" 1
1047 1 95 ASN HA 1 96 VAL H 2.950 2.065 3.835 2.196 2.140 2.379 . 0 0 "[ . 1 . ]" 1
1048 1 95 ASN HB2 1 96 VAL H 4.000 2.800 5.200 4.288 2.794 4.642 0.006 11 0 "[ . 1 . ]" 1
1049 1 95 ASN HB3 1 95 ASN HD21 2.780 . 3.614 3.278 2.536 3.531 . 0 0 "[ . 1 . ]" 1
1050 1 95 ASN HB3 1 95 ASN HD22 3.220 2.254 4.186 3.959 3.599 4.087 . 0 0 "[ . 1 . ]" 1
1051 1 96 VAL H 1 96 VAL HA 2.950 2.065 3.835 2.893 2.807 2.946 . 0 0 "[ . 1 . ]" 1
1052 1 96 VAL H 1 96 VAL MG1 2.550 . 3.315 2.548 2.349 2.819 . 0 0 "[ . 1 . ]" 1
1053 1 96 VAL H 1 97 LYS H 3.520 2.464 4.576 4.536 4.469 4.618 0.042 12 0 "[ . 1 . ]" 1
1054 1 96 VAL HA 1 97 LYS H 3.320 2.324 4.316 2.333 2.273 2.368 0.051 3 0 "[ . 1 . ]" 1
1055 1 96 VAL HB 1 97 LYS H 4.000 2.800 5.200 3.568 2.741 3.987 0.059 6 0 "[ . 1 . ]" 1
1056 1 96 VAL MG1 1 97 LYS H 2.780 . 3.614 3.048 3.030 3.081 . 0 0 "[ . 1 . ]" 1
1057 1 97 LYS H 1 97 LYS HA 2.860 2.002 3.718 2.885 2.806 2.951 . 0 0 "[ . 1 . ]" 1
1058 1 97 LYS H 1 97 LYS HB2 3.040 2.128 3.952 2.562 2.123 3.646 0.005 5 0 "[ . 1 . ]" 1
1059 1 97 LYS H 1 97 LYS HB3 2.780 . 3.614 3.155 2.277 3.641 0.027 3 0 "[ . 1 . ]" 1
1060 1 97 LYS H 1 97 LYS HG2 3.220 2.254 4.186 3.791 2.248 4.217 0.031 16 0 "[ . 1 . ]" 1
1061 1 97 LYS HA 1 97 LYS HB2 2.400 . 3.120 2.766 2.358 3.022 . 0 0 "[ . 1 . ]" 1
1062 1 97 LYS HA 1 97 LYS HB3 2.700 . 3.510 2.732 2.351 3.012 . 0 0 "[ . 1 . ]" 1
1063 1 97 LYS HA 1 97 LYS HG2 2.950 2.065 3.835 2.803 2.075 3.854 0.019 7 0 "[ . 1 . ]" 1
1064 1 97 LYS HA 1 97 LYS HG3 2.780 . 3.614 3.115 2.175 3.626 0.012 12 0 "[ . 1 . ]" 1
1065 1 97 LYS HA 1 98 GLU H 2.550 . 3.315 2.196 2.139 2.294 . 0 0 "[ . 1 . ]" 1
1066 1 98 GLU H 1 98 GLU HA 2.780 . 3.614 2.787 2.274 2.947 . 0 0 "[ . 1 . ]" 1
1067 1 98 GLU H 1 98 GLU HB2 3.320 2.324 4.316 3.142 2.417 4.041 . 0 0 "[ . 1 . ]" 1
1068 1 98 GLU H 1 98 GLU HB3 2.950 2.065 3.835 3.502 2.689 3.832 . 0 0 "[ . 1 . ]" 1
1069 1 98 GLU H 1 98 GLU HG2 3.220 2.254 4.186 3.454 2.307 4.175 . 0 0 "[ . 1 . ]" 1
1070 1 98 GLU HA 1 99 SER H 2.700 . 3.510 2.456 2.142 3.514 0.004 5 0 "[ . 1 . ]" 1
1071 1 98 GLU HB2 1 99 SER H 3.520 2.464 4.576 3.595 2.462 4.549 0.002 6 0 "[ . 1 . ]" 1
1072 1 98 GLU HG3 1 99 SER H 4.000 2.800 5.200 4.589 3.828 5.201 0.001 3 0 "[ . 1 . ]" 1
1073 1 99 SER H 1 99 SER HB2 3.090 2.163 4.017 3.068 2.260 3.746 . 0 0 "[ . 1 . ]" 1
1074 1 99 SER H 1 99 SER HB3 3.520 2.464 4.576 3.057 2.547 3.789 . 0 0 "[ . 1 . ]" 1
1075 1 99 SER HA 1 100 SER H 2.700 . 3.510 2.210 2.139 2.354 . 0 0 "[ . 1 . ]" 1
1076 1 100 SER H 1 100 SER HA 2.820 . 3.666 2.922 2.885 2.947 . 0 0 "[ . 1 . ]" 1
1077 1 100 SER HA 1 101 GLU H 2.700 . 3.510 2.211 2.140 2.366 . 0 0 "[ . 1 . ]" 1
1078 1 100 SER HB3 1 101 GLU H 3.520 2.464 4.576 3.621 2.528 4.417 . 0 0 "[ . 1 . ]" 1
1079 1 101 GLU H 1 101 GLU HB2 3.520 2.464 4.576 2.968 2.476 3.672 . 0 0 "[ . 1 . ]" 1
1080 1 101 GLU H 1 101 GLU HB3 2.950 2.065 3.835 3.336 2.613 3.705 . 0 0 "[ . 1 . ]" 1
1081 1 101 GLU H 1 101 GLU HG2 3.220 2.254 4.186 3.002 2.254 3.832 0.000 1 0 "[ . 1 . ]" 1
1082 1 101 GLU HA 1 102 ASP H 2.470 . 3.211 2.282 2.138 2.537 . 0 0 "[ . 1 . ]" 1
1083 1 102 ASP H 1 102 ASP HA 2.950 2.065 3.835 2.922 2.869 2.947 . 0 0 "[ . 1 . ]" 1
1084 1 102 ASP H 1 102 ASP HB2 3.040 2.128 3.952 2.924 2.220 3.679 . 0 0 "[ . 1 . ]" 1
1085 1 102 ASP H 1 103 ILE H 3.520 2.464 4.576 4.540 4.419 4.582 0.006 11 0 "[ . 1 . ]" 1
1086 1 102 ASP HA 1 102 ASP HB2 2.510 . 3.263 2.703 2.458 3.027 . 0 0 "[ . 1 . ]" 1
1087 1 102 ASP HA 1 103 ILE H 2.470 . 3.211 2.269 2.155 2.419 . 0 0 "[ . 1 . ]" 1
1088 1 102 ASP HB2 1 103 ILE H 3.220 2.254 4.186 3.613 2.599 4.189 0.003 1 0 "[ . 1 . ]" 1
1089 1 102 ASP HB2 1 104 PHE HE2 4.990 3.493 6.487 4.833 3.612 6.479 . 0 0 "[ . 1 . ]" 1
1090 1 102 ASP HB3 1 103 ILE H 3.520 2.464 4.576 3.476 2.591 4.163 . 0 0 "[ . 1 . ]" 1
1091 1 103 ILE H 1 103 ILE HA 2.820 . 3.666 2.927 2.924 2.928 . 0 0 "[ . 1 . ]" 1
1092 1 103 ILE H 1 103 ILE MD 4.990 3.493 6.487 3.807 3.567 3.921 . 0 0 "[ . 1 . ]" 1
1093 1 103 ILE H 1 103 ILE HG12 2.860 2.002 3.718 3.510 2.663 3.721 0.003 10 0 "[ . 1 . ]" 1
1094 1 103 ILE H 1 103 ILE MG 4.040 2.828 5.252 3.848 3.823 3.856 . 0 0 "[ . 1 . ]" 1
1095 1 103 ILE H 1 104 PHE H 2.950 2.065 3.835 4.027 4.026 4.029 0.194 16 0 "[ . 1 . ]" 1
1096 1 103 ILE HA 1 103 ILE MD 3.780 2.646 4.914 3.596 2.180 3.918 0.466 9 0 "[ . 1 . ]" 1
1097 1 103 ILE HA 1 103 ILE HG12 3.090 2.163 4.017 2.714 2.597 3.088 . 0 0 "[ . 1 . ]" 1
1098 1 103 ILE HA 1 103 ILE HG13 2.780 . 3.614 3.229 3.081 3.710 0.096 9 0 "[ . 1 . ]" 1
1099 1 103 ILE HA 1 103 ILE MG 2.330 . 3.029 2.277 2.183 2.364 . 0 0 "[ . 1 . ]" 1
1100 1 103 ILE HA 1 104 PHE H 2.470 . 3.211 2.126 2.124 2.129 . 0 0 "[ . 1 . ]" 1
1101 1 103 ILE HB 1 104 PHE H 4.000 2.800 5.200 4.320 4.300 4.369 . 0 0 "[ . 1 . ]" 1
1102 1 103 ILE MG 1 104 PHE H 3.040 2.128 3.952 3.128 3.051 3.223 . 0 0 "[ . 1 . ]" 1
1103 1 104 PHE H 1 104 PHE HA 2.950 2.065 3.835 2.909 2.829 2.945 . 0 0 "[ . 1 . ]" 1
1104 1 104 PHE H 1 104 PHE HB2 3.220 2.254 4.186 2.581 2.264 3.660 . 0 0 "[ . 1 . ]" 1
1105 1 104 PHE H 1 104 PHE HD2 3.320 2.324 4.316 3.750 2.937 4.252 . 0 0 "[ . 1 . ]" 1
1106 1 104 PHE HA 1 104 PHE HB2 2.950 2.065 3.835 2.902 2.616 3.025 . 0 0 "[ . 1 . ]" 1
1107 1 104 PHE HA 1 104 PHE HB3 3.130 2.191 4.069 2.605 2.281 2.895 . 0 0 "[ . 1 . ]" 1
1108 1 104 PHE HA 1 104 PHE HD1 2.950 2.065 3.835 2.660 2.081 3.863 0.028 18 0 "[ . 1 . ]" 1
1109 1 104 PHE HA 1 105 GLY H 3.220 2.254 4.186 3.298 2.912 3.488 . 0 0 "[ . 1 . ]" 1
1110 1 104 PHE HB2 1 104 PHE HD1 2.950 2.065 3.835 3.590 2.882 3.736 . 0 0 "[ . 1 . ]" 1
1111 1 104 PHE HB3 1 104 PHE HD2 2.700 . 3.510 3.232 2.299 3.509 . 0 0 "[ . 1 . ]" 1
1112 1 105 GLY H 1 105 GLY HA2 2.590 . 3.367 2.376 2.294 2.467 . 0 0 "[ . 1 . ]" 1
1113 1 105 GLY HA2 1 106 ASN H 3.220 2.254 4.186 2.987 2.822 3.442 . 0 0 "[ . 1 . ]" 1
1114 1 105 GLY HA2 1 107 VAL H 4.990 3.493 6.487 5.559 4.842 6.361 . 0 0 "[ . 1 . ]" 1
1115 1 106 ASN H 1 106 ASN HA 2.950 2.065 3.835 2.937 2.871 2.948 . 0 0 "[ . 1 . ]" 1
1116 1 106 ASN H 1 106 ASN HB3 3.520 2.464 4.576 3.245 2.675 3.755 . 0 0 "[ . 1 . ]" 1
1117 1 106 ASN HA 1 106 ASN HB2 3.220 2.254 4.186 2.783 2.470 3.026 . 0 0 "[ . 1 . ]" 1
1118 1 106 ASN HA 1 106 ASN HB3 3.220 2.254 4.186 2.711 2.374 3.027 . 0 0 "[ . 1 . ]" 1
1119 1 106 ASN HA 1 107 VAL H 2.700 . 3.510 2.175 2.138 2.285 . 0 0 "[ . 1 . ]" 1
1120 1 106 ASN HB2 1 106 ASN HD21 3.220 2.254 4.186 2.771 2.320 3.531 . 0 0 "[ . 1 . ]" 1
1121 1 106 ASN HB2 1 106 ASN HD22 4.000 2.800 5.200 3.715 3.514 4.086 . 0 0 "[ . 1 . ]" 1
1122 1 106 ASN HB3 1 106 ASN HD21 2.950 2.065 3.835 2.679 2.116 3.552 . 0 0 "[ . 1 . ]" 1
1123 1 106 ASN HB3 1 106 ASN HD22 3.520 2.464 4.576 3.685 3.435 4.098 . 0 0 "[ . 1 . ]" 1
1124 1 107 VAL H 1 107 VAL HA 2.950 2.065 3.835 2.819 2.275 2.949 . 0 0 "[ . 1 . ]" 1
1125 1 107 VAL H 1 107 VAL MG2 2.950 2.065 3.835 2.333 1.997 2.714 0.068 14 0 "[ . 1 . ]" 1
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