NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
403274 |
1wj1   |
10089 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1wj1
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 2557
_Distance_constraint_stats_list.Viol_count 4754
_Distance_constraint_stats_list.Viol_total 12024.233
_Distance_constraint_stats_list.Viol_max 1.614
_Distance_constraint_stats_list.Viol_rms 0.0575
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0118
_Distance_constraint_stats_list.Viol_average_violations_only 0.1265
_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 7 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 SER 0.174 0.109 4 0 "[ . 1 . 2]"
1 10 ARG 1.017 0.128 4 0 "[ . 1 . 2]"
1 11 PRO 1.547 0.128 4 0 "[ . 1 . 2]"
1 12 HIS 0.721 0.111 16 0 "[ . 1 . 2]"
1 13 GLN 17.889 1.082 1 5 "[+ . * 1- . * *2]"
1 14 TRP 16.446 0.940 17 6 "[ - * 1** . + *2]"
1 15 GLN 8.329 0.585 6 3 "[ .+ - . *2]"
1 16 THR 9.999 0.641 10 3 "[ .* + . *2]"
1 17 ASP 0.245 0.054 18 0 "[ . 1 . 2]"
1 18 GLU 2.129 0.151 7 0 "[ . 1 . 2]"
1 19 GLU 13.166 0.946 10 5 "[* . *+ ** 2]"
1 20 GLY 5.948 0.368 6 0 "[ . 1 . 2]"
1 21 VAL 4.011 0.211 5 0 "[ . 1 . 2]"
1 22 ARG 1.582 0.155 2 0 "[ . 1 . 2]"
1 23 THR 9.923 0.946 10 9 "[** . *+* * ** -2]"
1 24 GLY 0.159 0.088 14 0 "[ . 1 . 2]"
1 25 LYS 5.557 0.153 15 0 "[ . 1 . 2]"
1 26 CYS 11.769 0.211 5 0 "[ . 1 . 2]"
1 27 SER 3.553 0.173 18 0 "[ . 1 . 2]"
1 28 PHE 22.891 1.614 7 19 "[******+ -***********]"
1 29 PRO 12.053 0.387 3 0 "[ . 1 . 2]"
1 30 VAL 18.229 0.544 14 2 "[ . 1 +. -]"
1 31 LYS 23.187 0.939 15 7 "[ . ** * - + **]"
1 32 TYR 8.005 0.443 10 0 "[ . 1 . 2]"
1 33 LEU 9.109 0.294 18 0 "[ . 1 . 2]"
1 34 GLY 1.662 0.113 20 0 "[ . 1 . 2]"
1 35 HIS 3.237 0.623 5 1 "[ + 1 . 2]"
1 36 VAL 14.193 0.541 16 1 "[ . 1 .+ 2]"
1 37 GLU 1.604 0.361 8 0 "[ . 1 . 2]"
1 38 VAL 15.351 0.690 15 18 "[*********-****+ ***2]"
1 39 ASP 6.237 0.444 7 0 "[ . 1 . 2]"
1 40 GLU 14.234 0.972 17 12 "[** *.* **1 * -*+**2]"
1 41 SER 2.013 0.234 19 0 "[ . 1 . 2]"
1 42 ARG 4.521 0.255 19 0 "[ . 1 . 2]"
1 43 GLY 11.401 0.328 17 0 "[ . 1 . 2]"
1 44 MET 4.777 0.313 19 0 "[ . 1 . 2]"
1 45 HIS 15.298 0.972 17 12 "[** *.* **1 * -*+**2]"
1 46 ILE 10.347 0.444 7 0 "[ . 1 . 2]"
1 47 CYS 0.947 0.313 19 0 "[ . 1 . 2]"
1 48 GLU 11.002 0.618 19 4 "[ * 1 -* +2]"
1 49 ASP 8.041 0.600 19 4 "[ * 1 -* +2]"
1 50 ALA 3.449 0.310 3 0 "[ . 1 . 2]"
1 51 VAL 20.115 0.784 2 3 "[ + . 1- . *2]"
1 52 LYS 4.855 0.366 6 0 "[ . 1 . 2]"
1 53 ARG 1.601 0.133 12 0 "[ . 1 . 2]"
1 54 LEU 14.903 0.541 16 1 "[ . 1 .+ 2]"
1 55 LYS 21.712 0.774 7 13 "[* **-*+ *** * ** *]"
1 56 ALA 2.319 0.205 6 0 "[ . 1 . 2]"
1 57 THR 5.904 0.220 10 0 "[ . 1 . 2]"
1 58 GLY 1.029 0.094 14 0 "[ . 1 . 2]"
1 59 LYS 1.307 0.179 9 0 "[ . 1 . 2]"
1 60 LYS 7.799 0.478 3 0 "[ . 1 . 2]"
1 61 ALA 3.308 0.146 4 0 "[ . 1 . 2]"
1 62 VAL 8.506 0.443 10 0 "[ . 1 . 2]"
1 63 LYS 27.749 0.939 15 9 "[ * ** * * +- **]"
1 64 ALA 8.197 0.292 20 0 "[ . 1 . 2]"
1 65 VAL 2.150 0.174 17 0 "[ . 1 . 2]"
1 66 LEU 12.232 0.205 19 0 "[ . 1 . 2]"
1 67 TRP 7.973 0.150 17 0 "[ . 1 . 2]"
1 68 VAL 21.802 1.614 7 19 "[******+ -***********]"
1 69 SER 1.818 0.176 15 0 "[ . 1 . 2]"
1 70 ALA 2.939 0.176 15 0 "[ . 1 . 2]"
1 71 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 72 GLY 0.542 0.117 13 0 "[ . 1 . 2]"
1 73 LEU 8.096 0.325 11 0 "[ . 1 . 2]"
1 74 ARG 20.180 0.834 7 8 "[ * + -*** .* *]"
1 75 VAL 6.527 0.111 20 0 "[ . 1 . 2]"
1 76 VAL 15.105 0.314 7 0 "[ . 1 . 2]"
1 77 ASP 18.323 0.314 7 0 "[ . 1 . 2]"
1 78 GLU 9.285 0.292 20 0 "[ . 1 . 2]"
1 79 LYS 7.523 0.295 17 0 "[ . 1 . 2]"
1 80 THR 17.019 0.301 10 0 "[ . 1 . 2]"
1 81 LYS 11.239 0.659 17 2 "[ . 1 - . + 2]"
1 82 ASP 10.085 0.296 9 0 "[ . 1 . 2]"
1 83 LEU 8.415 0.452 10 0 "[ . 1 . 2]"
1 84 ILE 18.065 0.272 1 0 "[ . 1 . 2]"
1 85 VAL 13.328 0.243 15 0 "[ . 1 . 2]"
1 86 ASP 18.810 0.834 7 8 "[ * + -*** .* *]"
1 87 GLN 5.210 0.396 10 0 "[ . 1 . 2]"
1 88 THR 2.607 0.158 10 0 "[ . 1 . 2]"
1 89 ILE 11.807 0.188 19 0 "[ . 1 . 2]"
1 90 GLU 1.136 0.123 3 0 "[ . 1 . 2]"
1 91 LYS 6.611 0.697 8 3 "[ -. + 1 . * 2]"
1 92 VAL 4.755 0.396 10 0 "[ . 1 . 2]"
1 93 SER 1.205 0.188 12 0 "[ . 1 . 2]"
1 94 PHE 3.559 0.189 3 0 "[ . 1 . 2]"
1 95 CYS 1.303 0.083 3 0 "[ . 1 . 2]"
1 96 ALA 3.913 0.139 20 0 "[ . 1 . 2]"
1 97 PRO 1.828 0.139 20 0 "[ . 1 . 2]"
1 98 ASP 0.640 0.129 7 0 "[ . 1 . 2]"
1 99 ARG 0.983 0.117 12 0 "[ . 1 . 2]"
1 100 ASN 4.041 0.262 20 0 "[ . 1 . 2]"
1 101 PHE 8.905 0.604 4 1 "[ +. 1 . 2]"
1 102 ASP 0.856 0.550 9 1 "[ . +1 . 2]"
1 103 ARG 3.749 0.550 9 1 "[ . +1 . 2]"
1 104 ALA 8.014 0.248 19 0 "[ . 1 . 2]"
1 105 PHE 4.159 0.248 19 0 "[ . 1 . 2]"
1 106 SER 0.072 0.072 18 0 "[ . 1 . 2]"
1 107 TYR 8.874 0.499 15 0 "[ . 1 . 2]"
1 108 ILE 11.817 0.499 15 0 "[ . 1 . 2]"
1 109 CYS 0.626 0.091 16 0 "[ . 1 . 2]"
1 110 ARG 3.150 0.635 4 1 "[ +. 1 . 2]"
1 111 ASP 2.555 0.362 4 0 "[ . 1 . 2]"
1 112 GLY 0.346 0.283 19 0 "[ . 1 . 2]"
1 113 THR 1.476 0.283 19 0 "[ . 1 . 2]"
1 114 THR 2.939 0.267 12 0 "[ . 1 . 2]"
1 115 ARG 5.208 0.339 19 0 "[ . 1 . 2]"
1 116 ARG 6.539 0.559 17 2 "[ . 1 . + -]"
1 117 TRP 3.772 0.236 20 0 "[ . 1 . 2]"
1 118 ILE 20.948 0.690 15 18 "[**************+ -**2]"
1 119 CYS 0.836 0.105 2 0 "[ . 1 . 2]"
1 120 HIS 1.965 0.623 5 1 "[ + 1 . 2]"
1 121 CYS 14.319 0.784 2 3 "[ + . 1- . *2]"
1 122 PHE 11.706 0.544 14 2 "[ . 1 +. -]"
1 123 MET 16.629 0.294 18 0 "[ . 1 . 2]"
1 124 ALA 7.137 0.147 4 0 "[ . 1 . 2]"
1 125 VAL 26.814 0.775 14 14 "[** **** 1**-+*** *]"
1 126 LYS 10.711 0.775 14 12 "[** *.** 1**-+.** *]"
1 127 ASP 3.564 0.463 4 0 "[ . 1 . 2]"
1 128 THR 3.326 0.463 4 0 "[ . 1 . 2]"
1 129 GLY 0.621 0.111 2 0 "[ . 1 . 2]"
1 130 GLU 0.990 0.652 12 1 "[ . 1 + . 2]"
1 131 ARG 5.352 1.082 1 4 "[+ . 1* . * -2]"
1 132 LEU 9.188 0.435 2 0 "[ . 1 . 2]"
1 133 SER 8.742 0.435 2 0 "[ . 1 . 2]"
1 134 HIS 5.427 0.517 5 1 "[ + 1 . 2]"
1 135 ALA 1.851 0.174 20 0 "[ . 1 . 2]"
1 136 VAL 5.159 0.219 17 0 "[ . 1 . 2]"
1 137 GLY 3.889 0.288 16 0 "[ . 1 . 2]"
1 138 CYS 2.574 0.438 10 0 "[ . 1 . 2]"
1 139 ALA 0.539 0.119 17 0 "[ . 1 . 2]"
1 140 PHE 11.948 0.438 10 0 "[ . 1 . 2]"
1 141 ALA 6.074 0.468 10 0 "[ . 1 . 2]"
1 142 ALA 7.796 0.615 8 4 "[- . + * . *2]"
1 143 CYS 5.158 0.190 16 0 "[ . 1 . 2]"
1 144 LEU 10.274 0.400 12 0 "[ . 1 . 2]"
1 145 GLU 20.554 0.615 8 4 "[- . + * . *2]"
1 146 ARG 6.805 0.285 18 0 "[ . 1 . 2]"
1 147 LYS 13.474 0.400 12 0 "[ . 1 . 2]"
1 148 GLN 4.064 0.454 8 0 "[ . 1 . 2]"
1 149 LYS 3.929 0.562 19 2 "[ . 1 .- +2]"
1 150 ARG 18.352 0.623 5 3 "[ +-* 1 . 2]"
1 151 SER 1.423 0.503 6 1 "[ .+ 1 . 2]"
1 152 GLY 0.057 0.021 6 0 "[ . 1 . 2]"
1 153 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 154 SER 0.253 0.053 8 0 "[ . 1 . 2]"
1 155 SER 0.253 0.053 8 0 "[ . 1 . 2]"
1 156 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 7 GLY QA 1 8 ALA H . . 3.520 2.285 2.175 2.618 . 0 0 "[ . 1 . 2]" 1
2 1 7 GLY QA 1 8 ALA MB . . 4.600 3.660 3.393 4.129 . 0 0 "[ . 1 . 2]" 1
3 1 8 ALA H 1 8 ALA MB . . 3.520 2.602 2.062 2.919 . 0 0 "[ . 1 . 2]" 1
4 1 8 ALA HA 1 9 SER H . . 3.370 2.324 2.186 2.548 . 0 0 "[ . 1 . 2]" 1
5 1 8 ALA MB 1 9 SER H . . 4.330 3.141 2.306 3.787 . 0 0 "[ . 1 . 2]" 1
6 1 9 SER H 1 9 SER QB . . 3.380 2.658 2.003 3.379 . 0 0 "[ . 1 . 2]" 1
7 1 9 SER HA 1 10 ARG H . . 3.040 2.388 2.216 2.705 . 0 0 "[ . 1 . 2]" 1
8 1 9 SER HA 1 10 ARG QB . . 4.720 4.323 3.989 4.667 . 0 0 "[ . 1 . 2]" 1
9 1 9 SER QB 1 10 ARG H . . 4.070 3.350 2.441 4.049 . 0 0 "[ . 1 . 2]" 1
10 1 9 SER QB 1 10 ARG QG . . 4.860 4.366 3.106 4.969 0.109 4 0 "[ . 1 . 2]" 1
11 1 10 ARG H 1 10 ARG QG . . 4.140 3.207 2.294 3.973 . 0 0 "[ . 1 . 2]" 1
12 1 10 ARG H 1 11 PRO HD3 . . 4.620 4.527 3.899 4.748 0.128 4 0 "[ . 1 . 2]" 1
13 1 10 ARG HA 1 10 ARG QD . . 4.160 2.699 1.994 3.856 . 0 0 "[ . 1 . 2]" 1
14 1 10 ARG HA 1 10 ARG QG . . 3.710 2.625 1.970 3.421 . 0 0 "[ . 1 . 2]" 1
15 1 10 ARG HA 1 11 PRO HD2 . . 2.960 2.790 2.632 2.933 . 0 0 "[ . 1 . 2]" 1
16 1 10 ARG HA 1 11 PRO HD3 . . 3.150 2.062 1.982 2.151 . 0 0 "[ . 1 . 2]" 1
17 1 10 ARG QB 1 11 PRO HD2 . . 3.370 2.139 1.942 2.382 . 0 0 "[ . 1 . 2]" 1
18 1 10 ARG QB 1 11 PRO HD3 . . 3.380 3.109 2.692 3.327 . 0 0 "[ . 1 . 2]" 1
19 1 10 ARG QD 1 11 PRO HG2 . . 4.490 3.998 3.259 4.441 . 0 0 "[ . 1 . 2]" 1
20 1 10 ARG QG 1 11 PRO HD2 . . 4.550 3.663 2.576 4.150 . 0 0 "[ . 1 . 2]" 1
21 1 11 PRO HA 1 12 HIS H . . 3.430 2.658 2.187 3.541 0.111 1 0 "[ . 1 . 2]" 1
22 1 11 PRO HB2 1 12 HIS H . . 4.710 2.377 1.923 4.092 . 0 0 "[ . 1 . 2]" 1
23 1 11 PRO HB2 1 12 HIS HA . . 4.450 4.228 3.827 4.528 0.078 12 0 "[ . 1 . 2]" 1
24 1 11 PRO HB2 1 12 HIS QB . . 4.560 4.140 3.347 4.671 0.111 16 0 "[ . 1 . 2]" 1
25 1 12 HIS H 1 12 HIS HD2 . . 5.240 4.363 3.157 5.248 0.008 18 0 "[ . 1 . 2]" 1
26 1 12 HIS HA 1 14 TRP H . . 5.210 4.312 2.927 5.219 0.009 11 0 "[ . 1 . 2]" 1
27 1 12 HIS QB 1 12 HIS HD2 . . 3.710 3.041 2.651 3.329 . 0 0 "[ . 1 . 2]" 1
28 1 12 HIS QB 1 13 GLN H . . 4.430 2.634 1.946 4.023 . 0 0 "[ . 1 . 2]" 1
29 1 13 GLN H 1 13 GLN QB . . 3.880 2.840 2.203 3.520 . 0 0 "[ . 1 . 2]" 1
30 1 13 GLN H 1 13 GLN HG2 . . 4.500 3.893 2.616 4.961 0.461 13 0 "[ . 1 . 2]" 1
31 1 13 GLN H 1 13 GLN HG3 . . 4.820 3.914 2.557 4.486 . 0 0 "[ . 1 . 2]" 1
32 1 13 GLN H 1 14 TRP H . . 4.540 2.604 1.877 4.237 . 0 0 "[ . 1 . 2]" 1
33 1 13 GLN HA 1 13 GLN HG2 . . 3.840 2.963 2.374 3.844 0.004 1 0 "[ . 1 . 2]" 1
34 1 13 GLN HA 1 13 GLN HG3 . . 3.890 3.058 2.027 3.862 . 0 0 "[ . 1 . 2]" 1
35 1 13 GLN HA 1 14 TRP H . . 3.470 3.470 2.250 3.645 0.175 12 0 "[ . 1 . 2]" 1
36 1 13 GLN HA 1 14 TRP HD1 . . 4.770 4.162 2.701 4.611 . 0 0 "[ . 1 . 2]" 1
37 1 13 GLN QB 1 14 TRP H . . 4.240 2.738 2.275 3.807 . 0 0 "[ . 1 . 2]" 1
38 1 13 GLN QB 1 14 TRP HD1 . . 4.400 1.999 1.879 2.673 . 0 0 "[ . 1 . 2]" 1
39 1 13 GLN QB 1 14 TRP HE1 . . 4.990 3.445 3.009 3.851 . 0 0 "[ . 1 . 2]" 1
40 1 13 GLN QB 1 131 ARG QG . . 4.150 3.874 2.640 5.232 1.082 1 4 "[+ . 1* . * -2]" 1
41 1 13 GLN HG2 1 14 TRP HD1 . . 4.580 3.975 2.526 4.703 0.123 18 0 "[ . 1 . 2]" 1
42 1 13 GLN HG3 1 14 TRP H . . 4.610 4.456 2.038 5.382 0.772 7 1 "[ . + 1 . 2]" 1
43 1 13 GLN HG3 1 14 TRP HD1 . . 4.560 3.975 2.000 4.882 0.322 13 0 "[ . 1 . 2]" 1
44 1 13 GLN HG3 1 14 TRP HE1 . . 5.380 5.051 3.067 6.320 0.940 17 2 "[ . 1- . + 2]" 1
45 1 14 TRP H 1 14 TRP HB3 . . 3.840 3.680 3.577 4.134 0.294 11 0 "[ . 1 . 2]" 1
46 1 14 TRP H 1 14 TRP HD1 . . 4.060 2.372 1.891 3.014 . 0 0 "[ . 1 . 2]" 1
47 1 14 TRP H 1 15 GLN H . . 3.860 2.370 1.927 2.805 . 0 0 "[ . 1 . 2]" 1
48 1 14 TRP H 1 15 GLN HA . . 5.110 4.863 4.437 5.122 0.012 11 0 "[ . 1 . 2]" 1
49 1 14 TRP H 1 15 GLN HB3 . . 5.020 4.122 3.653 4.768 . 0 0 "[ . 1 . 2]" 1
50 1 14 TRP H 1 16 THR H . . 5.420 3.521 2.944 3.889 . 0 0 "[ . 1 . 2]" 1
51 1 14 TRP HB2 1 15 GLN H . . 4.780 2.455 2.049 3.456 . 0 0 "[ . 1 . 2]" 1
52 1 14 TRP HB2 1 134 HIS HE1 . . 4.560 4.090 3.390 4.995 0.435 17 0 "[ . 1 . 2]" 1
53 1 14 TRP HB3 1 15 GLN H . . 4.310 3.519 3.080 4.296 . 0 0 "[ . 1 . 2]" 1
54 1 14 TRP HB3 1 134 HIS HD2 . . 4.240 3.928 3.030 4.757 0.517 5 1 "[ + 1 . 2]" 1
55 1 14 TRP HB3 1 134 HIS HE1 . . 5.050 3.063 2.383 3.814 . 0 0 "[ . 1 . 2]" 1
56 1 14 TRP HD1 1 15 GLN H . . 5.250 4.330 3.936 4.620 . 0 0 "[ . 1 . 2]" 1
57 1 14 TRP HD1 1 131 ARG QD . . 4.800 3.753 2.961 4.429 . 0 0 "[ . 1 . 2]" 1
58 1 14 TRP HD1 1 131 ARG QG . . 4.830 3.648 3.001 5.424 0.594 19 1 "[ . 1 . +2]" 1
59 1 14 TRP HE1 1 130 GLU QB . . 5.470 4.754 4.289 5.204 . 0 0 "[ . 1 . 2]" 1
60 1 14 TRP HE1 1 131 ARG H . . 5.500 5.190 4.617 5.445 . 0 0 "[ . 1 . 2]" 1
61 1 14 TRP HE1 1 131 ARG QD . . 4.350 2.928 1.936 3.762 . 0 0 "[ . 1 . 2]" 1
62 1 14 TRP HE1 1 131 ARG QG . . 5.360 3.085 2.407 4.624 . 0 0 "[ . 1 . 2]" 1
63 1 14 TRP HE3 1 134 HIS H . . 4.900 4.711 4.442 4.967 0.067 17 0 "[ . 1 . 2]" 1
64 1 14 TRP HE3 1 134 HIS HA . . 4.050 4.116 4.062 4.166 0.116 7 0 "[ . 1 . 2]" 1
65 1 14 TRP HE3 1 134 HIS HB2 . . 4.120 2.090 1.944 2.386 . 0 0 "[ . 1 . 2]" 1
66 1 14 TRP HE3 1 134 HIS HB3 . . 4.410 3.016 2.460 3.394 . 0 0 "[ . 1 . 2]" 1
67 1 14 TRP HH2 1 128 THR MG . . 4.950 4.256 3.823 4.546 . 0 0 "[ . 1 . 2]" 1
68 1 14 TRP HH2 1 130 GLU QB . . 3.860 2.100 1.971 2.337 . 0 0 "[ . 1 . 2]" 1
69 1 14 TRP HH2 1 130 GLU HG2 . . 4.460 2.181 1.991 2.374 . 0 0 "[ . 1 . 2]" 1
70 1 14 TRP HH2 1 130 GLU HG3 . . 4.280 2.267 2.079 3.427 . 0 0 "[ . 1 . 2]" 1
71 1 14 TRP HH2 1 131 ARG H . . 5.070 4.040 3.539 4.616 . 0 0 "[ . 1 . 2]" 1
72 1 14 TRP HH2 1 131 ARG HA . . 4.740 3.954 3.136 4.659 . 0 0 "[ . 1 . 2]" 1
73 1 14 TRP HZ2 1 128 THR MG . . 4.410 3.271 2.832 3.743 . 0 0 "[ . 1 . 2]" 1
74 1 14 TRP HZ2 1 130 GLU QB . . 4.460 2.374 2.009 2.890 . 0 0 "[ . 1 . 2]" 1
75 1 14 TRP HZ2 1 130 GLU HG3 . . 4.780 4.305 4.068 5.432 0.652 12 1 "[ . 1 + . 2]" 1
76 1 14 TRP HZ2 1 131 ARG H . . 5.330 3.774 3.182 4.163 . 0 0 "[ . 1 . 2]" 1
77 1 14 TRP HZ2 1 131 ARG HA . . 4.690 4.074 3.372 4.584 . 0 0 "[ . 1 . 2]" 1
78 1 14 TRP HZ3 1 130 GLU QB . . 4.760 4.048 3.603 4.567 . 0 0 "[ . 1 . 2]" 1
79 1 14 TRP HZ3 1 130 GLU HG2 . . 4.500 4.370 2.921 4.579 0.079 18 0 "[ . 1 . 2]" 1
80 1 14 TRP HZ3 1 130 GLU HG3 . . 4.630 3.822 3.461 4.642 0.012 12 0 "[ . 1 . 2]" 1
81 1 14 TRP HZ3 1 131 ARG HA . . 4.730 3.797 3.122 4.391 . 0 0 "[ . 1 . 2]" 1
82 1 14 TRP HZ3 1 134 HIS HB2 . . 5.090 2.245 2.003 2.527 . 0 0 "[ . 1 . 2]" 1
83 1 15 GLN H 1 15 GLN HB2 . . 3.560 2.707 2.630 3.039 . 0 0 "[ . 1 . 2]" 1
84 1 15 GLN H 1 15 GLN HB3 . . 3.330 2.289 2.156 2.349 . 0 0 "[ . 1 . 2]" 1
85 1 15 GLN H 1 15 GLN QG . . 4.010 3.868 3.763 3.917 . 0 0 "[ . 1 . 2]" 1
86 1 15 GLN H 1 16 THR H . . 3.740 2.839 2.220 3.017 . 0 0 "[ . 1 . 2]" 1
87 1 15 GLN H 1 16 THR HB . . 5.420 5.146 4.549 5.288 . 0 0 "[ . 1 . 2]" 1
88 1 15 GLN H 1 16 THR MG . . 5.500 3.835 3.213 4.150 . 0 0 "[ . 1 . 2]" 1
89 1 15 GLN HA 1 15 GLN QG . . 3.090 2.636 2.604 2.696 . 0 0 "[ . 1 . 2]" 1
90 1 15 GLN HA 1 18 GLU H . . 4.470 3.037 2.785 3.288 . 0 0 "[ . 1 . 2]" 1
91 1 15 GLN HA 1 18 GLU HB2 . . 4.310 2.614 1.976 2.946 . 0 0 "[ . 1 . 2]" 1
92 1 15 GLN HA 1 18 GLU HB3 . . 4.170 3.173 1.998 4.320 0.150 19 0 "[ . 1 . 2]" 1
93 1 15 GLN HB2 1 16 THR H . . 4.160 4.108 3.983 4.273 0.113 11 0 "[ . 1 . 2]" 1
94 1 15 GLN HB3 1 16 THR H . . 3.810 2.803 2.606 3.074 . 0 0 "[ . 1 . 2]" 1
95 1 15 GLN HB3 1 16 THR HB . . 4.610 4.603 4.351 4.716 0.106 11 0 "[ . 1 . 2]" 1
96 1 15 GLN QE 1 16 THR HA . . 5.430 5.530 3.992 6.015 0.585 6 3 "[ .+ - . *2]" 1
97 1 15 GLN QG 1 16 THR H . . 4.490 3.260 3.035 3.358 . 0 0 "[ . 1 . 2]" 1
98 1 15 GLN QG 1 16 THR HB . . 4.340 4.285 4.083 4.413 0.073 9 0 "[ . 1 . 2]" 1
99 1 15 GLN QG 1 16 THR MG . . 4.520 4.606 4.547 4.676 0.156 18 0 "[ . 1 . 2]" 1
100 1 15 GLN QG 1 18 GLU H . . 3.910 3.811 3.622 4.061 0.151 7 0 "[ . 1 . 2]" 1
101 1 15 GLN QG 1 19 GLU H . . 5.030 3.961 3.253 4.311 . 0 0 "[ . 1 . 2]" 1
102 1 16 THR H 1 16 THR HB . . 3.680 2.448 2.336 2.519 . 0 0 "[ . 1 . 2]" 1
103 1 16 THR H 1 16 THR MG . . 3.350 2.048 1.919 2.338 . 0 0 "[ . 1 . 2]" 1
104 1 16 THR H 1 17 ASP HB2 . . 5.290 4.875 4.442 5.079 . 0 0 "[ . 1 . 2]" 1
105 1 16 THR H 1 18 GLU H . . 5.250 3.950 3.735 4.362 . 0 0 "[ . 1 . 2]" 1
106 1 16 THR HA 1 16 THR MG . . 3.220 3.240 3.229 3.246 0.026 1 0 "[ . 1 . 2]" 1
107 1 16 THR HA 1 18 GLU H . . 4.590 3.871 3.527 4.501 . 0 0 "[ . 1 . 2]" 1
108 1 16 THR HA 1 19 GLU H . . 4.170 3.492 3.107 4.276 0.106 7 0 "[ . 1 . 2]" 1
109 1 16 THR HA 1 19 GLU HG2 . . 4.350 3.233 2.076 4.991 0.641 10 1 "[ . + . 2]" 1
110 1 16 THR MG 1 17 ASP H . . 5.160 2.279 1.882 2.622 . 0 0 "[ . 1 . 2]" 1
111 1 16 THR MG 1 17 ASP HB3 . . 5.010 4.583 4.288 4.722 . 0 0 "[ . 1 . 2]" 1
112 1 16 THR MG 1 18 GLU H . . 4.690 4.160 3.869 4.372 . 0 0 "[ . 1 . 2]" 1
113 1 17 ASP H 1 18 GLU H . . 4.020 2.344 2.121 2.624 . 0 0 "[ . 1 . 2]" 1
114 1 17 ASP H 1 19 GLU H . . 5.310 4.008 3.779 4.628 . 0 0 "[ . 1 . 2]" 1
115 1 17 ASP HA 1 19 GLU H . . 5.330 3.944 3.547 4.871 . 0 0 "[ . 1 . 2]" 1
116 1 17 ASP HA 1 20 GLY H . . 4.260 3.406 3.089 3.640 . 0 0 "[ . 1 . 2]" 1
117 1 17 ASP HA 1 20 GLY HA3 . . 4.780 3.816 3.546 4.111 . 0 0 "[ . 1 . 2]" 1
118 1 17 ASP HA 1 21 VAL H . . 5.420 4.458 3.873 5.434 0.014 7 0 "[ . 1 . 2]" 1
119 1 17 ASP HB2 1 18 GLU H . . 4.780 3.193 2.532 3.609 . 0 0 "[ . 1 . 2]" 1
120 1 17 ASP HB2 1 134 HIS HE1 . . 4.230 3.245 2.679 3.988 . 0 0 "[ . 1 . 2]" 1
121 1 17 ASP HB2 1 135 ALA MB . . 4.430 3.667 3.253 4.363 . 0 0 "[ . 1 . 2]" 1
122 1 17 ASP HB3 1 18 GLU H . . 4.600 3.961 3.590 4.267 . 0 0 "[ . 1 . 2]" 1
123 1 17 ASP HB3 1 134 HIS HE1 . . 4.680 4.394 2.600 4.734 0.054 18 0 "[ . 1 . 2]" 1
124 1 17 ASP HB3 1 135 ALA MB . . 4.830 2.455 1.971 3.477 . 0 0 "[ . 1 . 2]" 1
125 1 18 GLU H 1 18 GLU HB2 . . 3.530 2.462 2.299 2.705 . 0 0 "[ . 1 . 2]" 1
126 1 18 GLU H 1 18 GLU HB3 . . 3.690 2.932 2.463 3.644 . 0 0 "[ . 1 . 2]" 1
127 1 18 GLU H 1 19 GLU H . . 3.980 2.409 2.138 2.954 . 0 0 "[ . 1 . 2]" 1
128 1 18 GLU H 1 20 GLY H . . 5.180 4.101 3.735 4.938 . 0 0 "[ . 1 . 2]" 1
129 1 18 GLU H 1 134 HIS HE1 . . 4.280 3.256 2.289 3.891 . 0 0 "[ . 1 . 2]" 1
130 1 18 GLU HA 1 18 GLU QG . . 3.520 2.259 2.124 2.372 . 0 0 "[ . 1 . 2]" 1
131 1 18 GLU HA 1 21 VAL H . . 4.310 3.901 3.583 4.089 . 0 0 "[ . 1 . 2]" 1
132 1 18 GLU HA 1 21 VAL HB . . 3.900 3.884 3.495 4.029 0.129 5 0 "[ . 1 . 2]" 1
133 1 18 GLU HA 1 21 VAL MG1 . . 3.800 2.111 1.899 3.121 . 0 0 "[ . 1 . 2]" 1
134 1 18 GLU HA 1 134 HIS HE1 . . 4.830 3.930 2.611 4.774 . 0 0 "[ . 1 . 2]" 1
135 1 18 GLU HA 1 138 CYS HB2 . . 4.450 3.661 3.106 4.372 . 0 0 "[ . 1 . 2]" 1
136 1 18 GLU HA 1 138 CYS HB3 . . 4.260 2.717 2.054 3.686 . 0 0 "[ . 1 . 2]" 1
137 1 18 GLU HB2 1 19 GLU H . . 4.150 3.709 2.857 4.239 0.089 14 0 "[ . 1 . 2]" 1
138 1 18 GLU HB2 1 134 HIS HE1 . . 4.370 2.888 1.964 4.348 . 0 0 "[ . 1 . 2]" 1
139 1 18 GLU HB3 1 19 GLU H . . 4.010 3.411 2.158 4.159 0.149 13 0 "[ . 1 . 2]" 1
140 1 18 GLU HB3 1 134 HIS HE1 . . 4.970 4.107 3.332 4.943 . 0 0 "[ . 1 . 2]" 1
141 1 18 GLU QG 1 19 GLU H . . 4.550 4.174 3.837 4.256 . 0 0 "[ . 1 . 2]" 1
142 1 18 GLU QG 1 134 HIS HE1 . . 4.410 3.321 1.800 4.279 . 0 0 "[ . 1 . 2]" 1
143 1 19 GLU H 1 19 GLU HB3 . . 3.410 2.789 2.184 3.634 0.224 1 0 "[ . 1 . 2]" 1
144 1 19 GLU H 1 19 GLU HG2 . . 3.890 2.593 1.928 3.440 . 0 0 "[ . 1 . 2]" 1
145 1 19 GLU H 1 19 GLU HG3 . . 3.570 3.278 2.259 3.896 0.326 7 0 "[ . 1 . 2]" 1
146 1 19 GLU H 1 20 GLY H . . 3.710 2.376 2.202 2.924 . 0 0 "[ . 1 . 2]" 1
147 1 19 GLU H 1 21 VAL H . . 5.370 3.613 3.406 4.181 . 0 0 "[ . 1 . 2]" 1
148 1 19 GLU H 1 23 THR MG . . 5.500 4.774 4.443 5.398 . 0 0 "[ . 1 . 2]" 1
149 1 19 GLU HA 1 19 GLU HB3 . . 2.880 2.564 2.348 2.630 . 0 0 "[ . 1 . 2]" 1
150 1 19 GLU HA 1 19 GLU HG2 . . 3.690 3.412 2.295 3.798 0.108 4 0 "[ . 1 . 2]" 1
151 1 19 GLU HA 1 22 ARG QD . . 3.940 2.836 1.997 4.095 0.155 2 0 "[ . 1 . 2]" 1
152 1 19 GLU HA 1 22 ARG HG3 . . 4.400 2.896 2.220 4.161 . 0 0 "[ . 1 . 2]" 1
153 1 19 GLU HA 1 23 THR H . . 4.520 3.936 3.466 4.451 . 0 0 "[ . 1 . 2]" 1
154 1 19 GLU HA 1 23 THR MG . . 4.680 3.290 2.691 4.156 . 0 0 "[ . 1 . 2]" 1
155 1 19 GLU HB2 1 20 GLY H . . 3.900 3.532 2.129 4.091 0.191 8 0 "[ . 1 . 2]" 1
156 1 19 GLU HB2 1 23 THR MG . . 3.780 2.976 1.980 3.712 . 0 0 "[ . 1 . 2]" 1
157 1 19 GLU HB3 1 20 GLY H . . 3.770 3.659 3.100 4.138 0.368 6 0 "[ . 1 . 2]" 1
158 1 19 GLU HG2 1 20 GLY H . . 4.610 2.745 1.923 4.747 0.137 1 0 "[ . 1 . 2]" 1
159 1 19 GLU HG2 1 23 THR MG . . 4.130 3.996 3.464 4.583 0.453 6 0 "[ . 1 . 2]" 1
160 1 19 GLU HG3 1 20 GLY H . . 4.280 2.892 1.910 4.226 . 0 0 "[ . 1 . 2]" 1
161 1 19 GLU HG3 1 23 THR MG . . 3.750 3.160 2.058 4.696 0.946 10 5 "[* . -+ ** 2]" 1
162 1 20 GLY H 1 21 VAL H . . 4.030 2.765 2.599 2.933 . 0 0 "[ . 1 . 2]" 1
163 1 20 GLY H 1 21 VAL MG1 . . 4.200 3.927 3.681 4.297 0.097 7 0 "[ . 1 . 2]" 1
164 1 20 GLY H 1 22 ARG H . . 4.890 4.248 3.864 4.653 . 0 0 "[ . 1 . 2]" 1
165 1 20 GLY H 1 23 THR MG . . 3.850 3.873 3.643 4.049 0.199 18 0 "[ . 1 . 2]" 1
166 1 20 GLY H 1 26 CYS HB2 . . 5.290 3.175 2.850 3.381 . 0 0 "[ . 1 . 2]" 1
167 1 20 GLY HA2 1 22 ARG H . . 4.770 4.191 3.823 4.756 . 0 0 "[ . 1 . 2]" 1
168 1 20 GLY HA2 1 23 THR H . . 4.830 3.340 3.012 3.621 . 0 0 "[ . 1 . 2]" 1
169 1 20 GLY HA2 1 25 LYS HB3 . . 4.610 4.432 4.257 4.678 0.068 18 0 "[ . 1 . 2]" 1
170 1 20 GLY HA2 1 26 CYS H . . 4.350 3.806 3.507 4.002 . 0 0 "[ . 1 . 2]" 1
171 1 20 GLY HA2 1 26 CYS HB2 . . 4.520 3.548 3.455 3.646 . 0 0 "[ . 1 . 2]" 1
172 1 20 GLY HA2 1 26 CYS HB3 . . 4.550 4.626 4.462 4.760 0.210 5 0 "[ . 1 . 2]" 1
173 1 20 GLY HA3 1 23 THR MG . . 4.680 4.273 3.309 4.722 0.042 1 0 "[ . 1 . 2]" 1
174 1 20 GLY HA3 1 24 GLY H . . 4.960 3.855 3.591 4.205 . 0 0 "[ . 1 . 2]" 1
175 1 20 GLY HA3 1 25 LYS H . . 4.370 2.775 2.420 3.091 . 0 0 "[ . 1 . 2]" 1
176 1 20 GLY HA3 1 25 LYS HB2 . . 4.550 4.470 4.209 4.653 0.103 19 0 "[ . 1 . 2]" 1
177 1 20 GLY HA3 1 25 LYS QG . . 4.570 3.136 2.707 3.402 . 0 0 "[ . 1 . 2]" 1
178 1 20 GLY HA3 1 26 CYS H . . 4.570 3.080 2.749 3.311 . 0 0 "[ . 1 . 2]" 1
179 1 20 GLY HA3 1 26 CYS HB2 . . 4.770 2.124 1.971 2.271 . 0 0 "[ . 1 . 2]" 1
180 1 20 GLY HA3 1 26 CYS HB3 . . 4.590 3.448 3.252 3.644 . 0 0 "[ . 1 . 2]" 1
181 1 21 VAL H 1 21 VAL HB . . 3.740 2.655 2.415 2.830 . 0 0 "[ . 1 . 2]" 1
182 1 21 VAL H 1 21 VAL MG1 . . 3.260 1.993 1.856 2.220 . 0 0 "[ . 1 . 2]" 1
183 1 21 VAL H 1 21 VAL MG2 . . 4.080 3.741 3.713 3.782 . 0 0 "[ . 1 . 2]" 1
184 1 21 VAL H 1 22 ARG H . . 3.950 2.289 2.064 2.610 . 0 0 "[ . 1 . 2]" 1
185 1 21 VAL H 1 23 THR H . . 4.600 3.603 3.330 3.965 . 0 0 "[ . 1 . 2]" 1
186 1 21 VAL H 1 23 THR MG . . 5.370 4.226 3.799 4.391 . 0 0 "[ . 1 . 2]" 1
187 1 21 VAL H 1 26 CYS HB2 . . 4.930 2.663 2.292 3.009 . 0 0 "[ . 1 . 2]" 1
188 1 21 VAL H 1 26 CYS HB3 . . 4.610 3.751 3.342 4.114 . 0 0 "[ . 1 . 2]" 1
189 1 21 VAL HA 1 21 VAL MG1 . . 3.280 3.212 3.201 3.218 . 0 0 "[ . 1 . 2]" 1
190 1 21 VAL HA 1 21 VAL MG2 . . 3.430 2.329 2.228 2.448 . 0 0 "[ . 1 . 2]" 1
191 1 21 VAL HA 1 26 CYS H . . 4.090 4.008 3.718 4.210 0.120 20 0 "[ . 1 . 2]" 1
192 1 21 VAL HA 1 26 CYS HB2 . . 4.180 3.308 3.085 3.492 . 0 0 "[ . 1 . 2]" 1
193 1 21 VAL HA 1 26 CYS HB3 . . 4.200 2.840 2.569 3.393 . 0 0 "[ . 1 . 2]" 1
194 1 21 VAL HA 1 69 SER HA . . 3.730 2.480 2.140 2.795 . 0 0 "[ . 1 . 2]" 1
195 1 21 VAL HA 1 70 ALA H . . 4.450 3.916 3.597 4.278 . 0 0 "[ . 1 . 2]" 1
196 1 21 VAL HA 1 139 ALA MB . . 4.680 4.310 4.145 4.582 . 0 0 "[ . 1 . 2]" 1
197 1 21 VAL HB 1 22 ARG H . . 4.130 4.091 3.817 4.275 0.145 18 0 "[ . 1 . 2]" 1
198 1 21 VAL HB 1 69 SER HA . . 4.370 3.937 3.638 4.267 . 0 0 "[ . 1 . 2]" 1
199 1 21 VAL HB 1 139 ALA H . . 4.600 4.129 3.808 4.389 . 0 0 "[ . 1 . 2]" 1
200 1 21 VAL HB 1 139 ALA HA . . 4.660 4.477 4.162 4.666 0.006 7 0 "[ . 1 . 2]" 1
201 1 21 VAL HB 1 139 ALA MB . . 4.110 3.882 3.635 4.182 0.072 7 0 "[ . 1 . 2]" 1
202 1 21 VAL MG1 1 22 ARG H . . 4.330 2.190 1.810 2.812 . 0 0 "[ . 1 . 2]" 1
203 1 21 VAL MG1 1 22 ARG HA . . 4.780 3.521 3.222 3.796 . 0 0 "[ . 1 . 2]" 1
204 1 21 VAL MG1 1 26 CYS HB2 . . 4.090 3.795 3.740 3.938 . 0 0 "[ . 1 . 2]" 1
205 1 21 VAL MG1 1 138 CYS H . . 4.960 4.869 4.775 4.916 . 0 0 "[ . 1 . 2]" 1
206 1 21 VAL MG1 1 138 CYS HA . . 4.670 4.135 3.825 4.358 . 0 0 "[ . 1 . 2]" 1
207 1 21 VAL MG1 1 138 CYS HB2 . . 3.660 3.012 2.809 3.301 . 0 0 "[ . 1 . 2]" 1
208 1 21 VAL MG1 1 138 CYS HB3 . . 3.810 2.021 1.938 2.334 . 0 0 "[ . 1 . 2]" 1
209 1 21 VAL MG1 1 139 ALA H . . 4.780 3.828 3.532 4.056 . 0 0 "[ . 1 . 2]" 1
210 1 21 VAL MG1 1 139 ALA HA . . 3.600 3.512 3.355 3.674 0.074 5 0 "[ . 1 . 2]" 1
211 1 21 VAL MG2 1 22 ARG H . . 4.490 3.863 3.525 4.191 . 0 0 "[ . 1 . 2]" 1
212 1 21 VAL MG2 1 22 ARG HA . . 4.220 3.871 3.605 4.111 . 0 0 "[ . 1 . 2]" 1
213 1 21 VAL MG2 1 26 CYS HB2 . . 4.380 4.442 4.138 4.591 0.211 5 0 "[ . 1 . 2]" 1
214 1 21 VAL MG2 1 26 CYS HB3 . . 4.320 3.930 3.597 4.204 . 0 0 "[ . 1 . 2]" 1
215 1 21 VAL MG2 1 69 SER HA . . 3.570 2.190 1.941 2.555 . 0 0 "[ . 1 . 2]" 1
216 1 21 VAL MG2 1 69 SER HB3 . . 4.560 4.061 3.658 4.543 . 0 0 "[ . 1 . 2]" 1
217 1 21 VAL MG2 1 70 ALA H . . 3.830 2.580 2.174 3.219 . 0 0 "[ . 1 . 2]" 1
218 1 21 VAL MG2 1 70 ALA HA . . 4.060 3.112 2.797 3.498 . 0 0 "[ . 1 . 2]" 1
219 1 21 VAL MG2 1 138 CYS HB2 . . 3.970 3.115 2.720 3.606 . 0 0 "[ . 1 . 2]" 1
220 1 21 VAL MG2 1 138 CYS HB3 . . 3.910 3.087 2.611 3.584 . 0 0 "[ . 1 . 2]" 1
221 1 21 VAL MG2 1 139 ALA H . . 3.550 2.425 1.922 2.913 . 0 0 "[ . 1 . 2]" 1
222 1 21 VAL MG2 1 139 ALA HA . . 3.360 1.918 1.811 2.021 . 0 0 "[ . 1 . 2]" 1
223 1 21 VAL MG2 1 139 ALA MB . . 3.020 1.918 1.802 2.056 . 0 0 "[ . 1 . 2]" 1
224 1 21 VAL MG2 1 142 ALA H . . 5.410 4.396 4.065 4.712 . 0 0 "[ . 1 . 2]" 1
225 1 21 VAL MG2 1 142 ALA MB . . 3.830 2.898 2.548 3.169 . 0 0 "[ . 1 . 2]" 1
226 1 22 ARG H 1 22 ARG HG2 . . 3.810 2.211 1.862 3.114 . 0 0 "[ . 1 . 2]" 1
227 1 22 ARG H 1 22 ARG HG3 . . 3.990 2.701 2.233 4.038 0.048 11 0 "[ . 1 . 2]" 1
228 1 22 ARG H 1 23 THR H . . 3.770 2.204 2.033 2.568 . 0 0 "[ . 1 . 2]" 1
229 1 22 ARG H 1 23 THR HA . . 5.300 4.854 4.722 5.105 . 0 0 "[ . 1 . 2]" 1
230 1 22 ARG H 1 23 THR MG . . 4.210 3.428 3.229 3.596 . 0 0 "[ . 1 . 2]" 1
231 1 22 ARG H 1 24 GLY H . . 4.790 3.899 3.374 4.630 . 0 0 "[ . 1 . 2]" 1
232 1 22 ARG HA 1 23 THR MG . . 5.140 4.695 4.247 5.170 0.030 8 0 "[ . 1 . 2]" 1
233 1 22 ARG QB 1 22 ARG QD . . 2.990 2.169 2.010 2.616 . 0 0 "[ . 1 . 2]" 1
234 1 22 ARG QD 1 23 THR MG . . 4.410 3.473 2.311 4.560 0.150 13 0 "[ . 1 . 2]" 1
235 1 22 ARG HG2 1 23 THR H . . 5.110 3.119 2.167 4.131 . 0 0 "[ . 1 . 2]" 1
236 1 22 ARG HG2 1 23 THR MG . . 4.360 3.299 2.508 4.335 . 0 0 "[ . 1 . 2]" 1
237 1 22 ARG HG3 1 23 THR H . . 5.110 2.429 1.869 3.319 . 0 0 "[ . 1 . 2]" 1
238 1 22 ARG HG3 1 23 THR HA . . 4.730 3.704 3.223 4.238 . 0 0 "[ . 1 . 2]" 1
239 1 23 THR H 1 23 THR HG1 . . 3.990 3.079 1.852 4.599 0.609 11 4 "[ * . 1+ * . -2]" 1
240 1 23 THR H 1 23 THR MG . . 3.230 2.161 1.911 2.577 . 0 0 "[ . 1 . 2]" 1
241 1 23 THR H 1 25 LYS H . . 4.550 4.361 4.062 4.544 . 0 0 "[ . 1 . 2]" 1
242 1 23 THR HA 1 23 THR MG . . 3.440 2.735 2.485 3.242 . 0 0 "[ . 1 . 2]" 1
243 1 23 THR HB 1 24 GLY H . . 4.040 3.730 3.294 4.128 0.088 14 0 "[ . 1 . 2]" 1
244 1 23 THR HB 1 25 LYS QE . . 4.480 3.764 3.229 4.299 . 0 0 "[ . 1 . 2]" 1
245 1 23 THR HB 1 25 LYS QG . . 4.390 3.728 3.197 4.319 . 0 0 "[ . 1 . 2]" 1
246 1 23 THR HG1 1 23 THR MG . . 3.400 2.288 1.926 2.998 . 0 0 "[ . 1 . 2]" 1
247 1 23 THR HG1 1 24 GLY H . . 4.930 2.930 1.913 4.819 . 0 0 "[ . 1 . 2]" 1
248 1 23 THR MG 1 24 GLY H . . 4.550 3.073 1.796 3.719 . 0 0 "[ . 1 . 2]" 1
249 1 23 THR MG 1 25 LYS QE . . 4.470 2.641 1.775 3.271 . 0 0 "[ . 1 . 2]" 1
250 1 24 GLY H 1 25 LYS H . . 3.550 2.374 2.117 2.641 . 0 0 "[ . 1 . 2]" 1
251 1 24 GLY H 1 25 LYS HA . . 5.000 4.800 4.570 5.049 0.049 13 0 "[ . 1 . 2]" 1
252 1 24 GLY H 1 25 LYS HB3 . . 5.080 4.735 4.350 4.988 . 0 0 "[ . 1 . 2]" 1
253 1 24 GLY H 1 25 LYS QG . . 3.400 2.749 2.369 3.027 . 0 0 "[ . 1 . 2]" 1
254 1 25 LYS H 1 25 LYS HB2 . . 3.950 4.008 3.920 4.068 0.118 8 0 "[ . 1 . 2]" 1
255 1 25 LYS H 1 25 LYS HB3 . . 3.840 3.683 3.599 3.725 . 0 0 "[ . 1 . 2]" 1
256 1 25 LYS H 1 25 LYS QE . . 4.660 4.551 3.925 4.772 0.112 19 0 "[ . 1 . 2]" 1
257 1 25 LYS H 1 25 LYS QG . . 3.770 2.515 2.274 2.676 . 0 0 "[ . 1 . 2]" 1
258 1 25 LYS H 1 26 CYS H . . 3.150 1.982 1.864 2.170 . 0 0 "[ . 1 . 2]" 1
259 1 25 LYS H 1 26 CYS HB2 . . 4.810 3.639 3.564 3.714 . 0 0 "[ . 1 . 2]" 1
260 1 25 LYS H 1 26 CYS HB3 . . 4.940 3.713 3.585 3.898 . 0 0 "[ . 1 . 2]" 1
261 1 25 LYS HA 1 67 TRP HZ3 . . 4.010 2.449 2.191 2.764 . 0 0 "[ . 1 . 2]" 1
262 1 25 LYS HB2 1 26 CYS H . . 4.660 4.540 4.516 4.565 . 0 0 "[ . 1 . 2]" 1
263 1 25 LYS HB2 1 67 TRP HZ3 . . 4.910 4.280 3.602 4.852 . 0 0 "[ . 1 . 2]" 1
264 1 25 LYS HB3 1 26 CYS H . . 4.570 4.711 4.686 4.723 0.153 15 0 "[ . 1 . 2]" 1
265 1 25 LYS QD 1 26 CYS H . . 4.340 4.059 3.824 4.360 0.020 20 0 "[ . 1 . 2]" 1
266 1 25 LYS QD 1 26 CYS HA . . 3.560 3.443 3.210 3.625 0.065 20 0 "[ . 1 . 2]" 1
267 1 25 LYS QE 1 25 LYS QG . . 2.870 2.210 2.004 2.411 . 0 0 "[ . 1 . 2]" 1
268 1 25 LYS QG 1 26 CYS H . . 4.960 4.066 3.781 4.260 . 0 0 "[ . 1 . 2]" 1
269 1 26 CYS H 1 26 CYS HB2 . . 3.670 2.987 2.846 3.082 . 0 0 "[ . 1 . 2]" 1
270 1 26 CYS H 1 26 CYS HB3 . . 3.790 2.430 2.377 2.511 . 0 0 "[ . 1 . 2]" 1
271 1 26 CYS H 1 26 CYS HG . . 5.430 4.518 4.419 4.698 . 0 0 "[ . 1 . 2]" 1
272 1 26 CYS H 1 27 SER H . . 4.430 3.531 3.195 3.845 . 0 0 "[ . 1 . 2]" 1
273 1 26 CYS H 1 67 TRP HE3 . . 4.890 3.707 3.502 3.974 . 0 0 "[ . 1 . 2]" 1
274 1 26 CYS H 1 67 TRP HZ3 . . 5.100 4.572 4.107 5.009 . 0 0 "[ . 1 . 2]" 1
275 1 26 CYS HA 1 27 SER H . . 3.000 2.551 2.412 2.741 . 0 0 "[ . 1 . 2]" 1
276 1 26 CYS HB2 1 27 SER H . . 4.550 4.699 4.647 4.723 0.173 18 0 "[ . 1 . 2]" 1
277 1 26 CYS HB2 1 68 VAL H . . 4.750 4.809 4.761 4.858 0.108 20 0 "[ . 1 . 2]" 1
278 1 26 CYS HB2 1 68 VAL HB . . 4.130 4.112 3.953 4.229 0.099 7 0 "[ . 1 . 2]" 1
279 1 26 CYS HB3 1 27 SER H . . 4.590 4.563 4.446 4.625 0.035 14 0 "[ . 1 . 2]" 1
280 1 26 CYS HB3 1 68 VAL H . . 5.500 3.211 3.126 3.302 . 0 0 "[ . 1 . 2]" 1
281 1 26 CYS HB3 1 68 VAL MG1 . . 4.670 3.972 3.416 4.405 . 0 0 "[ . 1 . 2]" 1
282 1 26 CYS HG 1 27 SER H . . 4.540 3.989 3.552 4.367 . 0 0 "[ . 1 . 2]" 1
283 1 27 SER H 1 28 PHE H . . 4.700 4.463 4.419 4.519 . 0 0 "[ . 1 . 2]" 1
284 1 27 SER H 1 28 PHE QD . . 5.190 3.773 3.508 4.429 . 0 0 "[ . 1 . 2]" 1
285 1 27 SER H 1 28 PHE QE . . 5.490 4.826 4.571 5.011 . 0 0 "[ . 1 . 2]" 1
286 1 27 SER H 1 65 VAL MG1 . . 5.500 4.696 4.591 4.843 . 0 0 "[ . 1 . 2]" 1
287 1 27 SER H 1 68 VAL H . . 5.500 4.517 4.349 4.692 . 0 0 "[ . 1 . 2]" 1
288 1 27 SER HA 1 28 PHE H . . 3.580 2.351 2.287 2.445 . 0 0 "[ . 1 . 2]" 1
289 1 27 SER HB2 1 28 PHE H . . 4.120 2.941 2.614 3.149 . 0 0 "[ . 1 . 2]" 1
290 1 27 SER HB2 1 28 PHE QD . . 4.900 4.811 4.678 4.938 0.038 10 0 "[ . 1 . 2]" 1
291 1 27 SER HB2 1 65 VAL MG1 . . 3.240 2.015 1.883 2.178 . 0 0 "[ . 1 . 2]" 1
292 1 27 SER HB2 1 67 TRP HD1 . . 4.840 3.547 2.976 4.112 . 0 0 "[ . 1 . 2]" 1
293 1 27 SER HB2 1 67 TRP HE3 . . 4.780 4.139 3.906 4.472 . 0 0 "[ . 1 . 2]" 1
294 1 27 SER HB2 1 68 VAL H . . 5.480 4.496 4.261 4.778 . 0 0 "[ . 1 . 2]" 1
295 1 27 SER HB3 1 28 PHE H . . 4.250 4.162 3.899 4.299 0.049 17 0 "[ . 1 . 2]" 1
296 1 27 SER HB3 1 65 VAL MG1 . . 3.550 3.298 3.156 3.424 . 0 0 "[ . 1 . 2]" 1
297 1 27 SER HB3 1 67 TRP HE1 . . 5.180 4.687 4.347 4.852 . 0 0 "[ . 1 . 2]" 1
298 1 27 SER HB3 1 67 TRP HE3 . . 4.370 2.613 2.427 2.978 . 0 0 "[ . 1 . 2]" 1
299 1 27 SER HB3 1 67 TRP HH2 . . 4.850 4.809 4.670 4.891 0.041 6 0 "[ . 1 . 2]" 1
300 1 27 SER HB3 1 67 TRP HZ3 . . 4.660 3.879 3.702 4.042 . 0 0 "[ . 1 . 2]" 1
301 1 27 SER HB3 1 68 VAL H . . 5.130 3.644 3.461 3.851 . 0 0 "[ . 1 . 2]" 1
302 1 28 PHE H 1 28 PHE QD . . 4.100 2.865 2.667 3.020 . 0 0 "[ . 1 . 2]" 1
303 1 28 PHE H 1 28 PHE QE . . 5.260 3.996 3.856 4.128 . 0 0 "[ . 1 . 2]" 1
304 1 28 PHE H 1 29 PRO QD . . 5.090 4.302 4.289 4.312 . 0 0 "[ . 1 . 2]" 1
305 1 28 PHE H 1 30 VAL MG1 . . 4.740 3.540 3.472 3.621 . 0 0 "[ . 1 . 2]" 1
306 1 28 PHE H 1 65 VAL HA . . 5.150 4.489 4.365 4.650 . 0 0 "[ . 1 . 2]" 1
307 1 28 PHE H 1 65 VAL MG1 . . 3.720 2.801 2.624 3.131 . 0 0 "[ . 1 . 2]" 1
308 1 28 PHE H 1 66 LEU H . . 4.320 3.115 3.011 3.260 . 0 0 "[ . 1 . 2]" 1
309 1 28 PHE H 1 66 LEU HB2 . . 5.130 5.056 4.965 5.090 . 0 0 "[ . 1 . 2]" 1
310 1 28 PHE H 1 66 LEU HB3 . . 5.170 3.549 3.461 3.622 . 0 0 "[ . 1 . 2]" 1
311 1 28 PHE H 1 66 LEU MD1 . . 4.850 4.947 4.768 4.993 0.143 20 0 "[ . 1 . 2]" 1
312 1 28 PHE H 1 66 LEU MD2 . . 4.820 4.848 4.544 4.933 0.113 1 0 "[ . 1 . 2]" 1
313 1 28 PHE HA 1 28 PHE QD . . 3.890 3.472 3.421 3.559 . 0 0 "[ . 1 . 2]" 1
314 1 28 PHE HA 1 29 PRO QD . . 3.350 2.047 2.021 2.071 . 0 0 "[ . 1 . 2]" 1
315 1 28 PHE HA 1 29 PRO HG3 . . 4.910 4.347 4.325 4.367 . 0 0 "[ . 1 . 2]" 1
316 1 28 PHE HB2 1 29 PRO QD . . 4.360 2.141 2.060 2.323 . 0 0 "[ . 1 . 2]" 1
317 1 28 PHE HB2 1 30 VAL MG1 . . 3.780 2.895 2.646 2.990 . 0 0 "[ . 1 . 2]" 1
318 1 28 PHE HB3 1 29 PRO QD . . 4.890 2.693 2.447 2.797 . 0 0 "[ . 1 . 2]" 1
319 1 28 PHE HB3 1 30 VAL MG1 . . 4.290 4.226 4.064 4.280 . 0 0 "[ . 1 . 2]" 1
320 1 28 PHE QD 1 29 PRO QD . . 4.410 3.911 3.846 4.021 . 0 0 "[ . 1 . 2]" 1
321 1 28 PHE QD 1 30 VAL MG1 . . 4.410 1.862 1.837 2.022 . 0 0 "[ . 1 . 2]" 1
322 1 28 PHE QD 1 66 LEU H . . 5.290 4.347 3.738 4.631 . 0 0 "[ . 1 . 2]" 1
323 1 28 PHE QD 1 66 LEU MD2 . . 3.650 3.460 2.649 3.658 0.008 4 0 "[ . 1 . 2]" 1
324 1 28 PHE QD 1 66 LEU HG . . 4.380 4.125 2.867 4.327 . 0 0 "[ . 1 . 2]" 1
325 1 28 PHE QD 1 68 VAL HB . . 4.320 5.217 4.660 5.934 1.614 7 19 "[******+ -***********]" 1
326 1 28 PHE QD 1 68 VAL MG2 . . 3.670 3.715 3.595 3.834 0.164 7 0 "[ . 1 . 2]" 1
327 1 28 PHE QD 1 132 LEU HA . . 4.730 4.486 4.065 4.821 0.091 2 0 "[ . 1 . 2]" 1
328 1 28 PHE QD 1 132 LEU MD1 . . 3.740 3.462 3.151 3.748 0.008 15 0 "[ . 1 . 2]" 1
329 1 28 PHE QD 1 132 LEU MD2 . . 3.860 2.865 2.471 3.493 . 0 0 "[ . 1 . 2]" 1
330 1 28 PHE QD 1 132 LEU HG . . 4.240 2.868 2.488 3.405 . 0 0 "[ . 1 . 2]" 1
331 1 28 PHE QD 1 135 ALA MB . . 4.210 3.997 3.626 4.316 0.106 17 0 "[ . 1 . 2]" 1
332 1 28 PHE QE 1 66 LEU MD2 . . 4.440 2.090 1.966 2.324 . 0 0 "[ . 1 . 2]" 1
333 1 28 PHE QE 1 66 LEU HG . . 4.930 3.020 1.978 3.293 . 0 0 "[ . 1 . 2]" 1
334 1 28 PHE QE 1 68 VAL HB . . 4.400 3.161 2.627 4.126 . 0 0 "[ . 1 . 2]" 1
335 1 28 PHE QE 1 68 VAL MG1 . . 4.070 3.931 3.702 4.150 0.080 7 0 "[ . 1 . 2]" 1
336 1 28 PHE QE 1 68 VAL MG2 . . 3.520 1.965 1.909 2.347 . 0 0 "[ . 1 . 2]" 1
337 1 28 PHE QE 1 132 LEU HA . . 4.080 3.028 2.740 3.682 . 0 0 "[ . 1 . 2]" 1
338 1 28 PHE QE 1 132 LEU MD1 . . 4.700 3.645 3.484 3.872 . 0 0 "[ . 1 . 2]" 1
339 1 28 PHE QE 1 135 ALA MB . . 3.110 2.324 1.945 2.652 . 0 0 "[ . 1 . 2]" 1
340 1 28 PHE HZ 1 66 LEU MD1 . . 4.340 4.250 4.013 4.461 0.121 7 0 "[ . 1 . 2]" 1
341 1 28 PHE HZ 1 68 VAL MG2 . . 4.560 1.886 1.761 1.988 . 0 0 "[ . 1 . 2]" 1
342 1 28 PHE HZ 1 132 LEU HA . . 4.810 3.178 2.931 3.553 . 0 0 "[ . 1 . 2]" 1
343 1 28 PHE HZ 1 135 ALA H . . 5.070 4.516 4.219 4.898 . 0 0 "[ . 1 . 2]" 1
344 1 28 PHE HZ 1 135 ALA MB . . 4.000 2.205 1.860 2.542 . 0 0 "[ . 1 . 2]" 1
345 1 29 PRO HA 1 30 VAL H . . 3.340 2.151 2.149 2.160 . 0 0 "[ . 1 . 2]" 1
346 1 29 PRO HA 1 30 VAL MG1 . . 3.940 3.317 3.238 3.375 . 0 0 "[ . 1 . 2]" 1
347 1 29 PRO HA 1 65 VAL HA . . 4.130 2.819 2.725 2.971 . 0 0 "[ . 1 . 2]" 1
348 1 29 PRO HA 1 65 VAL MG1 . . 3.790 3.580 3.308 3.845 0.055 15 0 "[ . 1 . 2]" 1
349 1 29 PRO HA 1 65 VAL MG2 . . 3.520 2.996 2.747 3.227 . 0 0 "[ . 1 . 2]" 1
350 1 29 PRO HA 1 66 LEU H . . 4.500 3.778 3.722 3.840 . 0 0 "[ . 1 . 2]" 1
351 1 29 PRO HA 1 125 VAL MG1 . . 4.670 4.749 4.638 4.801 0.131 3 0 "[ . 1 . 2]" 1
352 1 29 PRO HA 1 125 VAL MG2 . . 4.070 3.235 3.031 3.562 . 0 0 "[ . 1 . 2]" 1
353 1 29 PRO HB2 1 30 VAL H . . 4.150 3.887 3.856 3.974 . 0 0 "[ . 1 . 2]" 1
354 1 29 PRO HB2 1 125 VAL MG1 . . 3.670 2.548 2.504 2.587 . 0 0 "[ . 1 . 2]" 1
355 1 29 PRO HB2 1 125 VAL MG2 . . 3.310 2.346 1.972 2.597 . 0 0 "[ . 1 . 2]" 1
356 1 29 PRO HB3 1 30 VAL H . . 4.030 4.145 4.122 4.216 0.186 7 0 "[ . 1 . 2]" 1
357 1 29 PRO HB3 1 65 VAL HA . . 4.900 4.789 4.705 4.923 0.023 13 0 "[ . 1 . 2]" 1
358 1 29 PRO HB3 1 65 VAL MG1 . . 5.500 4.732 4.389 5.011 . 0 0 "[ . 1 . 2]" 1
359 1 29 PRO HB3 1 125 VAL HB . . 3.930 3.727 3.706 3.745 . 0 0 "[ . 1 . 2]" 1
360 1 29 PRO HB3 1 125 VAL MG1 . . 3.330 3.685 3.641 3.717 0.387 3 0 "[ . 1 . 2]" 1
361 1 29 PRO HB3 1 125 VAL MG2 . . 3.590 3.436 3.128 3.646 0.056 16 0 "[ . 1 . 2]" 1
362 1 29 PRO HB3 1 126 LYS H . . 5.470 5.331 5.206 5.383 . 0 0 "[ . 1 . 2]" 1
363 1 29 PRO QD 1 30 VAL H . . 5.330 4.899 4.852 4.914 . 0 0 "[ . 1 . 2]" 1
364 1 29 PRO QD 1 65 VAL MG1 . . 4.970 4.117 3.863 4.403 . 0 0 "[ . 1 . 2]" 1
365 1 29 PRO HG2 1 125 VAL H . . 5.050 4.281 4.064 4.488 . 0 0 "[ . 1 . 2]" 1
366 1 29 PRO HG2 1 125 VAL HB . . 4.000 2.929 2.633 3.135 . 0 0 "[ . 1 . 2]" 1
367 1 29 PRO HG2 1 125 VAL MG1 . . 3.860 3.365 3.203 3.526 . 0 0 "[ . 1 . 2]" 1
368 1 29 PRO HG2 1 126 LYS H . . 4.830 3.123 2.874 3.286 . 0 0 "[ . 1 . 2]" 1
369 1 29 PRO HG2 1 126 LYS QG . . 4.250 2.219 2.058 2.366 . 0 0 "[ . 1 . 2]" 1
370 1 29 PRO HG3 1 125 VAL MG1 . . 4.080 4.100 3.963 4.166 0.086 9 0 "[ . 1 . 2]" 1
371 1 29 PRO HG3 1 126 LYS QG . . 4.210 3.427 3.230 3.560 . 0 0 "[ . 1 . 2]" 1
372 1 30 VAL H 1 30 VAL MG2 . . 3.160 2.597 2.496 2.668 . 0 0 "[ . 1 . 2]" 1
373 1 30 VAL H 1 64 ALA H . . 4.400 3.965 3.870 4.071 . 0 0 "[ . 1 . 2]" 1
374 1 30 VAL H 1 64 ALA MB . . 4.940 4.843 4.770 4.885 . 0 0 "[ . 1 . 2]" 1
375 1 30 VAL H 1 65 VAL HA . . 3.990 2.760 2.564 2.860 . 0 0 "[ . 1 . 2]" 1
376 1 30 VAL H 1 65 VAL MG1 . . 5.070 4.394 4.189 4.561 . 0 0 "[ . 1 . 2]" 1
377 1 30 VAL H 1 66 LEU H . . 4.880 3.232 3.114 3.299 . 0 0 "[ . 1 . 2]" 1
378 1 30 VAL H 1 125 VAL HB . . 5.210 4.441 4.213 4.749 . 0 0 "[ . 1 . 2]" 1
379 1 30 VAL H 1 125 VAL MG2 . . 3.880 2.828 2.597 3.023 . 0 0 "[ . 1 . 2]" 1
380 1 30 VAL HA 1 30 VAL MG1 . . 3.390 2.566 2.515 2.624 . 0 0 "[ . 1 . 2]" 1
381 1 30 VAL HA 1 31 LYS H . . 3.620 2.582 2.323 2.709 . 0 0 "[ . 1 . 2]" 1
382 1 30 VAL HA 1 124 ALA H . . 5.500 4.647 4.558 5.008 . 0 0 "[ . 1 . 2]" 1
383 1 30 VAL HA 1 124 ALA HA . . 3.830 2.279 2.168 2.720 . 0 0 "[ . 1 . 2]" 1
384 1 30 VAL HA 1 124 ALA MB . . 4.200 3.854 3.712 4.294 0.094 18 0 "[ . 1 . 2]" 1
385 1 30 VAL HA 1 125 VAL H . . 4.090 2.427 1.936 2.879 . 0 0 "[ . 1 . 2]" 1
386 1 30 VAL HA 1 125 VAL HA . . 4.970 3.959 3.680 4.208 . 0 0 "[ . 1 . 2]" 1
387 1 30 VAL HA 1 125 VAL HB . . 4.470 3.491 3.261 3.804 . 0 0 "[ . 1 . 2]" 1
388 1 30 VAL HA 1 125 VAL MG1 . . 4.620 4.581 4.404 4.706 0.086 7 0 "[ . 1 . 2]" 1
389 1 30 VAL HA 1 125 VAL MG2 . . 3.260 2.100 1.962 2.319 . 0 0 "[ . 1 . 2]" 1
390 1 30 VAL HB 1 31 LYS H . . 3.680 2.496 2.314 2.961 . 0 0 "[ . 1 . 2]" 1
391 1 30 VAL HB 1 66 LEU H . . 5.090 5.018 4.978 5.065 . 0 0 "[ . 1 . 2]" 1
392 1 30 VAL HB 1 66 LEU HB2 . . 4.920 4.310 4.221 4.475 . 0 0 "[ . 1 . 2]" 1
393 1 30 VAL HB 1 66 LEU HB3 . . 4.820 4.030 3.910 4.110 . 0 0 "[ . 1 . 2]" 1
394 1 30 VAL HB 1 66 LEU MD2 . . 4.180 3.666 3.502 3.820 . 0 0 "[ . 1 . 2]" 1
395 1 30 VAL HB 1 122 PHE HA . . 4.890 4.850 4.586 4.966 0.076 5 0 "[ . 1 . 2]" 1
396 1 30 VAL HB 1 122 PHE HB2 . . 5.020 4.265 4.130 4.495 . 0 0 "[ . 1 . 2]" 1
397 1 30 VAL HB 1 122 PHE HB3 . . 4.680 3.042 2.875 3.168 . 0 0 "[ . 1 . 2]" 1
398 1 30 VAL HB 1 122 PHE QD . . 4.630 4.388 3.959 4.677 0.047 3 0 "[ . 1 . 2]" 1
399 1 30 VAL HB 1 123 MET H . . 4.780 4.407 4.054 4.656 . 0 0 "[ . 1 . 2]" 1
400 1 30 VAL HB 1 124 ALA HA . . 4.480 2.345 2.145 3.045 . 0 0 "[ . 1 . 2]" 1
401 1 30 VAL HB 1 125 VAL H . . 4.830 4.062 3.693 4.402 . 0 0 "[ . 1 . 2]" 1
402 1 30 VAL HB 1 132 LEU MD2 . . 3.920 2.779 2.387 3.007 . 0 0 "[ . 1 . 2]" 1
403 1 30 VAL MG1 1 31 LYS H . . 3.810 3.971 3.879 4.176 0.366 15 0 "[ . 1 . 2]" 1
404 1 30 VAL MG1 1 66 LEU H . . 3.740 2.659 2.452 2.863 . 0 0 "[ . 1 . 2]" 1
405 1 30 VAL MG1 1 66 LEU HB2 . . 3.770 3.178 3.017 3.439 . 0 0 "[ . 1 . 2]" 1
406 1 30 VAL MG1 1 66 LEU HB3 . . 3.750 2.123 1.996 2.250 . 0 0 "[ . 1 . 2]" 1
407 1 30 VAL MG1 1 66 LEU MD2 . . 3.220 2.373 2.017 2.555 . 0 0 "[ . 1 . 2]" 1
408 1 30 VAL MG1 1 122 PHE HB2 . . 4.570 4.661 4.632 4.678 0.108 7 0 "[ . 1 . 2]" 1
409 1 30 VAL MG1 1 124 ALA HA . . 3.400 2.566 2.377 2.894 . 0 0 "[ . 1 . 2]" 1
410 1 30 VAL MG1 1 124 ALA MB . . 3.720 3.083 2.914 3.704 . 0 0 "[ . 1 . 2]" 1
411 1 30 VAL MG1 1 125 VAL H . . 4.360 3.170 2.904 3.509 . 0 0 "[ . 1 . 2]" 1
412 1 30 VAL MG1 1 132 LEU MD1 . . 4.140 3.251 2.824 3.577 . 0 0 "[ . 1 . 2]" 1
413 1 30 VAL MG1 1 132 LEU MD2 . . 3.130 1.990 1.837 2.329 . 0 0 "[ . 1 . 2]" 1
414 1 30 VAL MG2 1 31 LYS H . . 3.520 2.664 2.353 3.244 . 0 0 "[ . 1 . 2]" 1
415 1 30 VAL MG2 1 31 LYS HA . . 3.630 3.403 3.235 3.701 0.071 15 0 "[ . 1 . 2]" 1
416 1 30 VAL MG2 1 32 TYR H . . 4.590 4.216 3.885 4.415 . 0 0 "[ . 1 . 2]" 1
417 1 30 VAL MG2 1 64 ALA H . . 4.290 4.140 4.023 4.275 . 0 0 "[ . 1 . 2]" 1
418 1 30 VAL MG2 1 65 VAL HA . . 3.530 3.440 3.274 3.584 0.054 13 0 "[ . 1 . 2]" 1
419 1 30 VAL MG2 1 66 LEU H . . 3.730 2.445 2.328 2.580 . 0 0 "[ . 1 . 2]" 1
420 1 30 VAL MG2 1 66 LEU HA . . 4.000 3.448 3.403 3.500 . 0 0 "[ . 1 . 2]" 1
421 1 30 VAL MG2 1 66 LEU HB2 . . 3.650 1.838 1.794 1.914 . 0 0 "[ . 1 . 2]" 1
422 1 30 VAL MG2 1 66 LEU MD1 . . 3.440 3.527 3.431 3.572 0.132 4 0 "[ . 1 . 2]" 1
423 1 30 VAL MG2 1 66 LEU MD2 . . 4.010 2.247 1.943 2.375 . 0 0 "[ . 1 . 2]" 1
424 1 30 VAL MG2 1 66 LEU HG . . 4.130 3.827 3.610 3.960 . 0 0 "[ . 1 . 2]" 1
425 1 30 VAL MG2 1 122 PHE H . . 5.340 5.745 5.598 5.884 0.544 14 2 "[ . 1 +. -]" 1
426 1 30 VAL MG2 1 122 PHE HA . . 4.960 4.070 3.865 4.249 . 0 0 "[ . 1 . 2]" 1
427 1 30 VAL MG2 1 122 PHE HB3 . . 4.080 2.519 2.373 2.653 . 0 0 "[ . 1 . 2]" 1
428 1 30 VAL MG2 1 122 PHE QD . . 3.110 2.548 2.190 2.998 . 0 0 "[ . 1 . 2]" 1
429 1 30 VAL MG2 1 123 MET H . . 4.600 4.261 4.030 4.497 . 0 0 "[ . 1 . 2]" 1
430 1 31 LYS H 1 31 LYS HB2 . . 4.090 2.505 2.402 2.600 . 0 0 "[ . 1 . 2]" 1
431 1 31 LYS H 1 31 LYS HB3 . . 4.160 3.654 3.592 3.704 . 0 0 "[ . 1 . 2]" 1
432 1 31 LYS H 1 31 LYS HD2 . . 4.750 4.603 3.922 4.839 0.089 5 0 "[ . 1 . 2]" 1
433 1 31 LYS H 1 31 LYS HD3 . . 4.630 3.595 2.840 4.913 0.283 15 0 "[ . 1 . 2]" 1
434 1 31 LYS H 1 31 LYS QE . . 4.930 4.577 4.244 4.719 . 0 0 "[ . 1 . 2]" 1
435 1 31 LYS H 1 31 LYS HG3 . . 4.320 3.456 2.652 3.718 . 0 0 "[ . 1 . 2]" 1
436 1 31 LYS H 1 32 TYR H . . 5.500 4.453 4.320 4.551 . 0 0 "[ . 1 . 2]" 1
437 1 31 LYS H 1 61 ALA MB . . 4.930 4.655 4.377 4.859 . 0 0 "[ . 1 . 2]" 1
438 1 31 LYS H 1 123 MET H . . 4.260 2.998 2.721 3.420 . 0 0 "[ . 1 . 2]" 1
439 1 31 LYS H 1 123 MET HA . . 5.500 4.406 4.215 4.668 . 0 0 "[ . 1 . 2]" 1
440 1 31 LYS H 1 123 MET HB2 . . 4.940 3.900 3.447 4.066 . 0 0 "[ . 1 . 2]" 1
441 1 31 LYS H 1 123 MET HB3 . . 4.640 4.031 3.675 4.264 . 0 0 "[ . 1 . 2]" 1
442 1 31 LYS H 1 124 ALA HA . . 4.670 3.369 3.243 4.039 . 0 0 "[ . 1 . 2]" 1
443 1 31 LYS H 1 125 VAL H . . 5.050 4.585 4.134 4.940 . 0 0 "[ . 1 . 2]" 1
444 1 31 LYS H 1 125 VAL MG2 . . 3.670 3.392 2.932 3.686 0.016 2 0 "[ . 1 . 2]" 1
445 1 31 LYS HA 1 31 LYS HD2 . . 4.470 4.461 4.113 4.590 0.120 13 0 "[ . 1 . 2]" 1
446 1 31 LYS HA 1 31 LYS HD3 . . 4.500 4.093 3.726 4.478 . 0 0 "[ . 1 . 2]" 1
447 1 31 LYS HA 1 31 LYS HG2 . . 3.960 2.980 2.576 3.254 . 0 0 "[ . 1 . 2]" 1
448 1 31 LYS HA 1 31 LYS HG3 . . 3.810 2.283 2.101 2.823 . 0 0 "[ . 1 . 2]" 1
449 1 31 LYS HA 1 32 TYR H . . 3.490 2.263 2.202 2.310 . 0 0 "[ . 1 . 2]" 1
450 1 31 LYS HA 1 61 ALA MB . . 3.940 3.835 3.707 3.965 0.025 15 0 "[ . 1 . 2]" 1
451 1 31 LYS HA 1 62 VAL H . . 5.070 4.031 3.603 4.465 . 0 0 "[ . 1 . 2]" 1
452 1 31 LYS HA 1 62 VAL QG . . 4.700 4.439 4.332 4.580 . 0 0 "[ . 1 . 2]" 1
453 1 31 LYS HA 1 63 LYS H . . 5.500 5.156 5.005 5.218 . 0 0 "[ . 1 . 2]" 1
454 1 31 LYS HA 1 63 LYS HA . . 4.380 3.215 2.892 3.391 . 0 0 "[ . 1 . 2]" 1
455 1 31 LYS HA 1 64 ALA H . . 4.290 2.955 2.806 3.056 . 0 0 "[ . 1 . 2]" 1
456 1 31 LYS HA 1 64 ALA MB . . 4.170 4.133 4.000 4.218 0.048 14 0 "[ . 1 . 2]" 1
457 1 31 LYS HB2 1 32 TYR H . . 4.720 4.224 4.127 4.386 . 0 0 "[ . 1 . 2]" 1
458 1 31 LYS HB2 1 61 ALA MB . . 3.320 2.872 2.512 3.086 . 0 0 "[ . 1 . 2]" 1
459 1 31 LYS HB2 1 62 VAL H . . 5.270 5.121 4.775 5.298 0.028 16 0 "[ . 1 . 2]" 1
460 1 31 LYS HB2 1 63 LYS HE3 . . 4.880 5.335 4.967 5.547 0.667 15 7 "[ . ** * - + **]" 1
461 1 31 LYS HB2 1 123 MET H . . 4.520 3.096 2.873 3.522 . 0 0 "[ . 1 . 2]" 1
462 1 31 LYS HB3 1 32 TYR H . . 4.340 3.090 2.925 3.354 . 0 0 "[ . 1 . 2]" 1
463 1 31 LYS HB3 1 33 LEU QD . . 4.550 3.690 3.365 4.013 . 0 0 "[ . 1 . 2]" 1
464 1 31 LYS HB3 1 61 ALA HA . . 4.810 3.831 3.486 4.164 . 0 0 "[ . 1 . 2]" 1
465 1 31 LYS HB3 1 61 ALA MB . . 2.970 1.832 1.765 1.979 . 0 0 "[ . 1 . 2]" 1
466 1 31 LYS HB3 1 62 VAL H . . 4.820 3.457 3.109 3.654 . 0 0 "[ . 1 . 2]" 1
467 1 31 LYS HB3 1 123 MET H . . 4.910 3.914 3.648 4.578 . 0 0 "[ . 1 . 2]" 1
468 1 31 LYS HB3 1 125 VAL MG2 . . 4.710 4.688 4.574 4.790 0.080 6 0 "[ . 1 . 2]" 1
469 1 31 LYS HD2 1 63 LYS HA . . 4.530 4.701 4.396 5.469 0.939 15 3 "[ . - 1 * + 2]" 1
470 1 31 LYS HD2 1 125 VAL MG2 . . 4.410 2.362 1.872 3.734 . 0 0 "[ . 1 . 2]" 1
471 1 31 LYS HD3 1 125 VAL MG2 . . 3.690 2.604 2.023 4.408 0.718 15 3 "[ . * 1 - + 2]" 1
472 1 31 LYS HG2 1 32 TYR H . . 4.760 4.290 4.073 4.527 . 0 0 "[ . 1 . 2]" 1
473 1 31 LYS HG2 1 63 LYS HE3 . . 3.200 3.191 2.564 3.339 0.139 8 0 "[ . 1 . 2]" 1
474 1 31 LYS HG3 1 32 TYR H . . 4.710 4.292 3.956 4.910 0.200 15 0 "[ . 1 . 2]" 1
475 1 31 LYS HG3 1 63 LYS HA . . 4.310 2.930 2.631 3.631 . 0 0 "[ . 1 . 2]" 1
476 1 31 LYS HG3 1 63 LYS HE2 . . 3.970 3.309 2.360 3.943 . 0 0 "[ . 1 . 2]" 1
477 1 31 LYS HG3 1 63 LYS HE3 . . 3.270 2.934 2.605 3.203 . 0 0 "[ . 1 . 2]" 1
478 1 32 TYR H 1 32 TYR QD . . 4.520 4.115 4.082 4.140 . 0 0 "[ . 1 . 2]" 1
479 1 32 TYR H 1 33 LEU H . . 5.500 4.342 4.251 4.484 . 0 0 "[ . 1 . 2]" 1
480 1 32 TYR H 1 33 LEU QD . . 5.240 4.940 4.607 5.033 . 0 0 "[ . 1 . 2]" 1
481 1 32 TYR H 1 61 ALA HA . . 5.000 4.138 3.819 4.450 . 0 0 "[ . 1 . 2]" 1
482 1 32 TYR H 1 61 ALA MB . . 4.010 3.536 3.235 3.787 . 0 0 "[ . 1 . 2]" 1
483 1 32 TYR H 1 62 VAL H . . 4.200 2.399 2.046 2.949 . 0 0 "[ . 1 . 2]" 1
484 1 32 TYR H 1 62 VAL HB . . 4.300 3.109 2.979 3.318 . 0 0 "[ . 1 . 2]" 1
485 1 32 TYR H 1 62 VAL QG . . 4.170 3.596 3.538 3.690 . 0 0 "[ . 1 . 2]" 1
486 1 32 TYR H 1 63 LYS HA . . 4.710 4.384 4.081 4.548 . 0 0 "[ . 1 . 2]" 1
487 1 32 TYR H 1 64 ALA H . . 4.720 4.028 3.783 4.213 . 0 0 "[ . 1 . 2]" 1
488 1 32 TYR H 1 64 ALA MB . . 4.160 3.831 3.498 4.044 . 0 0 "[ . 1 . 2]" 1
489 1 32 TYR H 1 122 PHE QD . . 5.490 5.068 4.582 5.308 . 0 0 "[ . 1 . 2]" 1
490 1 32 TYR HA 1 122 PHE HA . . 4.120 3.072 2.889 3.373 . 0 0 "[ . 1 . 2]" 1
491 1 32 TYR HA 1 123 MET H . . 5.120 4.034 3.873 4.334 . 0 0 "[ . 1 . 2]" 1
492 1 32 TYR QB 1 33 LEU H . . 4.880 4.015 3.950 4.047 . 0 0 "[ . 1 . 2]" 1
493 1 32 TYR QB 1 62 VAL H . . 4.750 2.660 2.530 2.767 . 0 0 "[ . 1 . 2]" 1
494 1 32 TYR QB 1 62 VAL HB . . 3.680 2.100 1.977 2.251 . 0 0 "[ . 1 . 2]" 1
495 1 32 TYR QB 1 62 VAL QG . . 3.950 2.970 2.874 3.050 . 0 0 "[ . 1 . 2]" 1
496 1 32 TYR QB 1 64 ALA MB . . 3.860 3.145 2.899 3.291 . 0 0 "[ . 1 . 2]" 1
497 1 32 TYR QB 1 75 VAL MG1 . . 4.040 2.725 2.543 2.879 . 0 0 "[ . 1 . 2]" 1
498 1 32 TYR QB 1 75 VAL MG2 . . 4.790 4.106 3.897 4.336 . 0 0 "[ . 1 . 2]" 1
499 1 32 TYR QB 1 84 ILE MG . . 4.360 3.962 3.818 4.083 . 0 0 "[ . 1 . 2]" 1
500 1 32 TYR QB 1 122 PHE QD . . 4.740 4.107 3.601 4.509 . 0 0 "[ . 1 . 2]" 1
501 1 32 TYR QD 1 33 LEU H . . 4.090 2.800 2.537 2.945 . 0 0 "[ . 1 . 2]" 1
502 1 32 TYR QD 1 34 GLY H . . 4.340 2.890 2.461 3.184 . 0 0 "[ . 1 . 2]" 1
503 1 32 TYR QD 1 62 VAL H . . 5.190 4.477 4.353 4.619 . 0 0 "[ . 1 . 2]" 1
504 1 32 TYR QD 1 62 VAL HB . . 3.980 3.222 3.119 3.353 . 0 0 "[ . 1 . 2]" 1
505 1 32 TYR QD 1 62 VAL QG . . 3.550 3.250 3.030 3.353 . 0 0 "[ . 1 . 2]" 1
506 1 32 TYR QD 1 64 ALA MB . . 4.550 4.490 4.224 4.587 0.037 16 0 "[ . 1 . 2]" 1
507 1 32 TYR QD 1 75 VAL MG1 . . 4.140 3.307 3.117 3.484 . 0 0 "[ . 1 . 2]" 1
508 1 32 TYR QD 1 84 ILE MD . . 3.690 3.582 3.213 3.752 0.062 15 0 "[ . 1 . 2]" 1
509 1 32 TYR QD 1 84 ILE MG . . 3.520 2.798 2.625 3.003 . 0 0 "[ . 1 . 2]" 1
510 1 32 TYR QD 1 121 CYS H . . 5.050 4.604 4.173 4.786 . 0 0 "[ . 1 . 2]" 1
511 1 32 TYR QD 1 122 PHE HA . . 4.570 4.044 3.874 4.300 . 0 0 "[ . 1 . 2]" 1
512 1 32 TYR QD 1 122 PHE QD . . 3.810 3.546 2.892 3.827 0.017 7 0 "[ . 1 . 2]" 1
513 1 32 TYR QE 1 33 LEU H . . 4.670 4.611 4.286 4.711 0.041 9 0 "[ . 1 . 2]" 1
514 1 32 TYR QE 1 34 GLY H . . 4.010 3.166 2.760 3.437 . 0 0 "[ . 1 . 2]" 1
515 1 32 TYR QE 1 34 GLY HA2 . . 4.430 3.013 2.809 3.271 . 0 0 "[ . 1 . 2]" 1
516 1 32 TYR QE 1 34 GLY HA3 . . 4.470 4.389 4.139 4.547 0.077 20 0 "[ . 1 . 2]" 1
517 1 32 TYR QE 1 35 HIS H . . 5.220 4.726 4.154 4.952 . 0 0 "[ . 1 . 2]" 1
518 1 32 TYR QE 1 35 HIS HA . . 5.100 4.639 4.199 5.135 0.035 9 0 "[ . 1 . 2]" 1
519 1 32 TYR QE 1 62 VAL QG . . 4.390 4.711 4.506 4.833 0.443 10 0 "[ . 1 . 2]" 1
520 1 32 TYR QE 1 84 ILE MG . . 3.400 2.951 2.502 3.245 . 0 0 "[ . 1 . 2]" 1
521 1 32 TYR QE 1 85 VAL MG2 . . 3.730 2.923 2.659 3.132 . 0 0 "[ . 1 . 2]" 1
522 1 32 TYR QE 1 121 CYS H . . 4.360 4.148 3.720 4.293 . 0 0 "[ . 1 . 2]" 1
523 1 32 TYR QE 1 122 PHE HZ . . 4.130 4.112 3.828 4.153 0.023 8 0 "[ . 1 . 2]" 1
524 1 33 LEU H 1 33 LEU HB3 . . 4.150 3.544 3.526 3.573 . 0 0 "[ . 1 . 2]" 1
525 1 33 LEU H 1 33 LEU QD . . 3.610 3.163 3.063 3.258 . 0 0 "[ . 1 . 2]" 1
526 1 33 LEU H 1 33 LEU HG . . 3.660 2.441 2.267 2.640 . 0 0 "[ . 1 . 2]" 1
527 1 33 LEU H 1 34 GLY H . . 4.030 2.509 2.391 2.628 . 0 0 "[ . 1 . 2]" 1
528 1 33 LEU H 1 34 GLY HA2 . . 5.000 4.747 4.650 4.842 . 0 0 "[ . 1 . 2]" 1
529 1 33 LEU H 1 121 CYS H . . 5.230 4.419 4.158 4.607 . 0 0 "[ . 1 . 2]" 1
530 1 33 LEU H 1 122 PHE HA . . 3.870 2.676 2.486 3.008 . 0 0 "[ . 1 . 2]" 1
531 1 33 LEU H 1 122 PHE QD . . 5.220 4.345 3.677 4.622 . 0 0 "[ . 1 . 2]" 1
532 1 33 LEU H 1 123 MET H . . 4.900 3.619 3.490 3.932 . 0 0 "[ . 1 . 2]" 1
533 1 33 LEU HA 1 33 LEU QD . . 2.860 2.200 1.973 2.383 . 0 0 "[ . 1 . 2]" 1
534 1 33 LEU HA 1 33 LEU HG . . 3.870 2.970 2.920 3.144 . 0 0 "[ . 1 . 2]" 1
535 1 33 LEU HA 1 61 ALA H . . 5.160 4.964 4.470 5.081 . 0 0 "[ . 1 . 2]" 1
536 1 33 LEU HA 1 61 ALA HA . . 3.830 2.740 2.311 2.903 . 0 0 "[ . 1 . 2]" 1
537 1 33 LEU HA 1 61 ALA MB . . 3.140 2.971 2.730 3.226 0.086 16 0 "[ . 1 . 2]" 1
538 1 33 LEU HA 1 62 VAL H . . 4.660 4.282 4.037 4.436 . 0 0 "[ . 1 . 2]" 1
539 1 33 LEU HB2 1 54 LEU MD1 . . 4.350 2.416 2.140 2.795 . 0 0 "[ . 1 . 2]" 1
540 1 33 LEU HB2 1 121 CYS HB2 . . 4.620 2.127 1.984 3.619 . 0 0 "[ . 1 . 2]" 1
541 1 33 LEU HB2 1 121 CYS HB3 . . 4.560 3.420 1.970 3.745 . 0 0 "[ . 1 . 2]" 1
542 1 33 LEU HB3 1 33 LEU HG . . 2.920 3.027 3.019 3.031 0.111 9 0 "[ . 1 . 2]" 1
543 1 33 LEU HB3 1 34 GLY H . . 4.750 3.627 3.429 3.861 . 0 0 "[ . 1 . 2]" 1
544 1 33 LEU HB3 1 54 LEU MD1 . . 4.230 2.133 1.848 2.542 . 0 0 "[ . 1 . 2]" 1
545 1 33 LEU HB3 1 121 CYS H . . 5.500 5.030 4.741 5.363 . 0 0 "[ . 1 . 2]" 1
546 1 33 LEU HB3 1 121 CYS HB2 . . 4.700 3.207 2.819 4.695 . 0 0 "[ . 1 . 2]" 1
547 1 33 LEU HB3 1 121 CYS HB3 . . 4.470 4.402 3.255 4.717 0.247 20 0 "[ . 1 . 2]" 1
548 1 33 LEU QD 1 34 GLY H . . 4.620 4.086 3.912 4.222 . 0 0 "[ . 1 . 2]" 1
549 1 33 LEU QD 1 51 VAL HA . . 3.920 2.970 2.696 3.099 . 0 0 "[ . 1 . 2]" 1
550 1 33 LEU QD 1 54 LEU HB2 . . 3.850 3.218 3.026 3.347 . 0 0 "[ . 1 . 2]" 1
551 1 33 LEU QD 1 54 LEU MD1 . . 3.910 2.674 2.537 2.833 . 0 0 "[ . 1 . 2]" 1
552 1 33 LEU QD 1 61 ALA H . . 5.000 4.020 3.384 4.352 . 0 0 "[ . 1 . 2]" 1
553 1 33 LEU QD 1 61 ALA HA . . 3.970 3.188 2.687 3.535 . 0 0 "[ . 1 . 2]" 1
554 1 33 LEU QD 1 61 ALA MB . . 2.930 1.947 1.733 2.123 . 0 0 "[ . 1 . 2]" 1
555 1 33 LEU QD 1 62 VAL H . . 4.900 4.601 4.316 4.746 . 0 0 "[ . 1 . 2]" 1
556 1 33 LEU QD 1 104 ALA HA . . 4.700 3.685 3.506 4.251 . 0 0 "[ . 1 . 2]" 1
557 1 33 LEU QD 1 104 ALA MB . . 3.620 3.254 3.002 3.635 0.015 18 0 "[ . 1 . 2]" 1
558 1 33 LEU QD 1 105 PHE H . . 5.130 4.218 3.836 4.555 . 0 0 "[ . 1 . 2]" 1
559 1 33 LEU QD 1 121 CYS H . . 4.630 4.259 4.059 4.494 . 0 0 "[ . 1 . 2]" 1
560 1 33 LEU QD 1 121 CYS HB2 . . 3.370 2.162 1.945 3.161 . 0 0 "[ . 1 . 2]" 1
561 1 33 LEU QD 1 121 CYS HB3 . . 3.400 2.146 1.957 2.405 . 0 0 "[ . 1 . 2]" 1
562 1 33 LEU QD 1 122 PHE H . . 4.450 3.003 2.734 3.483 . 0 0 "[ . 1 . 2]" 1
563 1 33 LEU QD 1 122 PHE HA . . 4.110 3.235 2.966 3.676 . 0 0 "[ . 1 . 2]" 1
564 1 33 LEU QD 1 123 MET H . . 4.180 2.988 2.664 3.213 . 0 0 "[ . 1 . 2]" 1
565 1 33 LEU QD 1 123 MET HA . . 4.220 3.328 3.232 3.450 . 0 0 "[ . 1 . 2]" 1
566 1 33 LEU QD 1 123 MET HB2 . . 3.800 2.444 2.136 2.654 . 0 0 "[ . 1 . 2]" 1
567 1 33 LEU QD 1 123 MET HB3 . . 3.280 3.484 3.280 3.574 0.294 18 0 "[ . 1 . 2]" 1
568 1 33 LEU QD 1 123 MET ME . . 3.160 3.174 2.990 3.411 0.251 18 0 "[ . 1 . 2]" 1
569 1 33 LEU QD 1 123 MET HG2 . . 3.340 2.064 1.720 2.390 . 0 0 "[ . 1 . 2]" 1
570 1 33 LEU QD 1 123 MET HG3 . . 3.190 1.950 1.819 2.347 . 0 0 "[ . 1 . 2]" 1
571 1 33 LEU HG 1 121 CYS HB2 . . 4.880 3.973 3.749 5.158 0.278 3 0 "[ . 1 . 2]" 1
572 1 33 LEU HG 1 122 PHE HA . . 3.910 2.950 2.842 3.032 . 0 0 "[ . 1 . 2]" 1
573 1 33 LEU HG 1 123 MET H . . 4.250 2.497 2.338 2.666 . 0 0 "[ . 1 . 2]" 1
574 1 33 LEU HG 1 123 MET HB2 . . 3.890 2.752 2.616 3.227 . 0 0 "[ . 1 . 2]" 1
575 1 33 LEU HG 1 123 MET HG2 . . 4.250 3.720 3.105 4.030 . 0 0 "[ . 1 . 2]" 1
576 1 33 LEU HG 1 123 MET HG3 . . 4.160 3.599 3.187 4.311 0.151 18 0 "[ . 1 . 2]" 1
577 1 34 GLY H 1 35 HIS H . . 4.550 4.405 4.339 4.455 . 0 0 "[ . 1 . 2]" 1
578 1 34 GLY H 1 54 LEU MD2 . . 4.730 4.248 3.773 4.555 . 0 0 "[ . 1 . 2]" 1
579 1 34 GLY H 1 121 CYS H . . 4.770 3.259 3.011 3.606 . 0 0 "[ . 1 . 2]" 1
580 1 34 GLY HA2 1 35 HIS H . . 3.360 2.945 2.678 3.077 . 0 0 "[ . 1 . 2]" 1
581 1 34 GLY HA2 1 35 HIS HD2 . . 5.030 4.997 4.586 5.143 0.113 20 0 "[ . 1 . 2]" 1
582 1 34 GLY HA2 1 54 LEU MD1 . . 4.450 4.285 3.855 4.547 0.097 20 0 "[ . 1 . 2]" 1
583 1 34 GLY HA2 1 54 LEU MD2 . . 4.280 4.202 3.572 4.361 0.081 14 0 "[ . 1 . 2]" 1
584 1 34 GLY HA3 1 35 HIS H . . 3.460 2.350 2.267 2.561 . 0 0 "[ . 1 . 2]" 1
585 1 34 GLY HA3 1 35 HIS HD2 . . 4.720 4.604 4.214 4.778 0.058 20 0 "[ . 1 . 2]" 1
586 1 34 GLY HA3 1 54 LEU MD2 . . 3.870 2.793 2.219 2.971 . 0 0 "[ . 1 . 2]" 1
587 1 35 HIS H 1 35 HIS HD2 . . 4.650 2.479 2.175 2.731 . 0 0 "[ . 1 . 2]" 1
588 1 35 HIS H 1 36 VAL H . . 4.720 4.349 4.133 4.474 . 0 0 "[ . 1 . 2]" 1
589 1 35 HIS H 1 36 VAL MG1 . . 4.590 3.637 3.355 3.939 . 0 0 "[ . 1 . 2]" 1
590 1 35 HIS H 1 54 LEU MD1 . . 4.400 3.984 3.462 4.303 . 0 0 "[ . 1 . 2]" 1
591 1 35 HIS H 1 54 LEU MD2 . . 3.700 2.949 2.450 3.459 . 0 0 "[ . 1 . 2]" 1
592 1 35 HIS H 1 118 ILE MG . . 5.040 4.805 4.713 4.891 . 0 0 "[ . 1 . 2]" 1
593 1 35 HIS H 1 120 HIS HA . . 5.260 5.026 4.825 5.180 . 0 0 "[ . 1 . 2]" 1
594 1 35 HIS HA 1 35 HIS HD2 . . 4.960 4.200 4.090 4.285 . 0 0 "[ . 1 . 2]" 1
595 1 35 HIS HA 1 36 VAL H . . 3.420 2.267 2.192 2.392 . 0 0 "[ . 1 . 2]" 1
596 1 35 HIS HA 1 36 VAL MG1 . . 4.230 3.452 3.221 3.611 . 0 0 "[ . 1 . 2]" 1
597 1 35 HIS HA 1 36 VAL MG2 . . 4.240 3.830 3.686 4.046 . 0 0 "[ . 1 . 2]" 1
598 1 35 HIS HA 1 54 LEU MD1 . . 4.190 3.662 3.192 3.945 . 0 0 "[ . 1 . 2]" 1
599 1 35 HIS HA 1 54 LEU MD2 . . 4.620 3.785 3.422 4.190 . 0 0 "[ . 1 . 2]" 1
600 1 35 HIS HA 1 118 ILE MG . . 4.120 3.365 3.141 3.560 . 0 0 "[ . 1 . 2]" 1
601 1 35 HIS HA 1 120 HIS HA . . 3.920 2.446 2.238 2.623 . 0 0 "[ . 1 . 2]" 1
602 1 35 HIS HA 1 121 CYS H . . 4.560 3.614 3.334 3.814 . 0 0 "[ . 1 . 2]" 1
603 1 35 HIS HB2 1 36 VAL H . . 4.270 3.116 2.709 3.498 . 0 0 "[ . 1 . 2]" 1
604 1 35 HIS HB2 1 118 ILE MG . . 3.520 1.826 1.768 1.901 . 0 0 "[ . 1 . 2]" 1
605 1 35 HIS HB2 1 120 HIS HD2 . . 4.910 4.522 3.644 5.533 0.623 5 1 "[ + 1 . 2]" 1
606 1 35 HIS HB2 1 120 HIS HE1 . . 4.580 4.176 3.766 4.640 0.060 6 0 "[ . 1 . 2]" 1
607 1 35 HIS HB3 1 36 VAL H . . 3.960 3.893 3.666 4.099 0.139 16 0 "[ . 1 . 2]" 1
608 1 35 HIS HB3 1 118 ILE MG . . 3.290 2.719 2.548 2.885 . 0 0 "[ . 1 . 2]" 1
609 1 35 HIS HB3 1 120 HIS HE1 . . 4.650 2.929 2.537 3.387 . 0 0 "[ . 1 . 2]" 1
610 1 35 HIS HD2 1 36 VAL H . . 4.860 4.846 4.608 5.003 0.143 20 0 "[ . 1 . 2]" 1
611 1 35 HIS HD2 1 36 VAL HA . . 4.860 4.243 4.021 4.416 . 0 0 "[ . 1 . 2]" 1
612 1 35 HIS HD2 1 118 ILE MD . . 4.330 4.347 4.271 4.508 0.178 20 0 "[ . 1 . 2]" 1
613 1 36 VAL H 1 36 VAL MG1 . . 3.350 2.852 2.581 2.995 . 0 0 "[ . 1 . 2]" 1
614 1 36 VAL H 1 36 VAL MG2 . . 3.210 2.270 2.001 2.446 . 0 0 "[ . 1 . 2]" 1
615 1 36 VAL H 1 50 ALA MB . . 5.180 4.209 3.938 4.486 . 0 0 "[ . 1 . 2]" 1
616 1 36 VAL H 1 54 LEU MD1 . . 4.110 4.105 3.843 4.197 0.087 13 0 "[ . 1 . 2]" 1
617 1 36 VAL H 1 54 LEU MD2 . . 4.130 4.114 3.886 4.227 0.097 18 0 "[ . 1 . 2]" 1
618 1 36 VAL H 1 118 ILE MG . . 3.730 2.898 2.601 3.210 . 0 0 "[ . 1 . 2]" 1
619 1 36 VAL H 1 119 CYS H . . 4.240 2.684 2.375 3.078 . 0 0 "[ . 1 . 2]" 1
620 1 36 VAL H 1 119 CYS HB2 . . 4.840 4.582 3.794 4.788 . 0 0 "[ . 1 . 2]" 1
621 1 36 VAL H 1 119 CYS HB3 . . 4.950 3.286 2.927 3.444 . 0 0 "[ . 1 . 2]" 1
622 1 36 VAL H 1 120 HIS HA . . 4.730 3.730 3.424 4.061 . 0 0 "[ . 1 . 2]" 1
623 1 36 VAL HA 1 36 VAL MG1 . . 3.160 2.373 2.291 2.484 . 0 0 "[ . 1 . 2]" 1
624 1 36 VAL HA 1 36 VAL MG2 . . 3.530 3.208 3.194 3.218 . 0 0 "[ . 1 . 2]" 1
625 1 36 VAL HA 1 37 GLU H . . 3.190 2.429 2.234 2.606 . 0 0 "[ . 1 . 2]" 1
626 1 36 VAL HA 1 37 GLU QB . . 4.080 4.070 3.985 4.183 0.103 1 0 "[ . 1 . 2]" 1
627 1 36 VAL HA 1 54 LEU MD2 . . 4.880 3.808 3.615 4.077 . 0 0 "[ . 1 . 2]" 1
628 1 36 VAL HA 1 118 ILE MD . . 4.790 3.877 3.570 4.209 . 0 0 "[ . 1 . 2]" 1
629 1 36 VAL HA 1 118 ILE MG . . 4.910 4.109 3.766 4.436 . 0 0 "[ . 1 . 2]" 1
630 1 36 VAL HB 1 37 GLU H . . 3.350 2.631 2.368 3.172 . 0 0 "[ . 1 . 2]" 1
631 1 36 VAL HB 1 50 ALA MB . . 4.300 4.272 4.070 4.610 0.310 3 0 "[ . 1 . 2]" 1
632 1 36 VAL HB 1 54 LEU MD1 . . 4.540 4.815 4.593 5.081 0.541 16 1 "[ . 1 .+ 2]" 1
633 1 36 VAL HB 1 54 LEU MD2 . . 3.800 3.889 3.831 4.077 0.277 18 0 "[ . 1 . 2]" 1
634 1 36 VAL HB 1 119 CYS H . . 5.230 5.158 5.122 5.194 . 0 0 "[ . 1 . 2]" 1
635 1 36 VAL MG1 1 50 ALA HA . . 3.760 3.685 3.465 3.846 0.086 16 0 "[ . 1 . 2]" 1
636 1 36 VAL MG1 1 53 ARG H . . 5.180 4.605 4.295 4.833 . 0 0 "[ . 1 . 2]" 1
637 1 36 VAL MG1 1 53 ARG HB2 . . 4.080 3.457 3.178 3.738 . 0 0 "[ . 1 . 2]" 1
638 1 36 VAL MG1 1 53 ARG HB3 . . 3.680 2.192 1.960 2.472 . 0 0 "[ . 1 . 2]" 1
639 1 36 VAL MG1 1 53 ARG QD . . 4.000 2.872 2.501 3.240 . 0 0 "[ . 1 . 2]" 1
640 1 36 VAL MG1 1 53 ARG HG2 . . 4.480 3.654 3.058 4.153 . 0 0 "[ . 1 . 2]" 1
641 1 36 VAL MG1 1 54 LEU H . . 3.990 3.193 2.952 3.497 . 0 0 "[ . 1 . 2]" 1
642 1 36 VAL MG1 1 54 LEU HA . . 4.100 3.591 3.465 3.738 . 0 0 "[ . 1 . 2]" 1
643 1 36 VAL MG1 1 54 LEU HB2 . . 4.040 4.016 3.910 4.153 0.113 7 0 "[ . 1 . 2]" 1
644 1 36 VAL MG1 1 54 LEU HB3 . . 4.940 4.051 3.954 4.168 . 0 0 "[ . 1 . 2]" 1
645 1 36 VAL MG1 1 54 LEU MD1 . . 2.990 2.213 1.953 2.543 . 0 0 "[ . 1 . 2]" 1
646 1 36 VAL MG1 1 119 CYS HB3 . . 4.430 4.403 4.007 4.535 0.105 2 0 "[ . 1 . 2]" 1
647 1 36 VAL MG2 1 37 GLU H . . 3.770 3.390 2.777 3.731 . 0 0 "[ . 1 . 2]" 1
648 1 36 VAL MG2 1 50 ALA H . . 4.490 4.266 4.066 4.487 . 0 0 "[ . 1 . 2]" 1
649 1 36 VAL MG2 1 50 ALA HA . . 3.380 2.192 1.946 2.581 . 0 0 "[ . 1 . 2]" 1
650 1 36 VAL MG2 1 51 VAL H . . 5.040 4.594 4.228 4.798 . 0 0 "[ . 1 . 2]" 1
651 1 36 VAL MG2 1 53 ARG HB3 . . 3.860 3.275 2.784 3.525 . 0 0 "[ . 1 . 2]" 1
652 1 36 VAL MG2 1 53 ARG QD . . 3.710 2.566 2.199 2.989 . 0 0 "[ . 1 . 2]" 1
653 1 36 VAL MG2 1 54 LEU H . . 4.360 4.394 4.067 4.472 0.112 18 0 "[ . 1 . 2]" 1
654 1 36 VAL MG2 1 54 LEU MD1 . . 3.500 3.206 2.936 3.449 . 0 0 "[ . 1 . 2]" 1
655 1 36 VAL MG2 1 54 LEU MD2 . . 3.730 3.697 3.515 3.938 0.208 20 0 "[ . 1 . 2]" 1
656 1 36 VAL MG2 1 119 CYS H . . 3.890 3.109 2.934 3.486 . 0 0 "[ . 1 . 2]" 1
657 1 36 VAL MG2 1 119 CYS HB2 . . 3.680 3.286 2.515 3.603 . 0 0 "[ . 1 . 2]" 1
658 1 36 VAL MG2 1 119 CYS HB3 . . 3.410 2.069 1.891 2.217 . 0 0 "[ . 1 . 2]" 1
659 1 36 VAL MG2 1 119 CYS HG . . 4.110 3.326 2.535 4.076 . 0 0 "[ . 1 . 2]" 1
660 1 36 VAL MG2 1 120 HIS H . . 5.370 4.968 4.795 5.171 . 0 0 "[ . 1 . 2]" 1
661 1 37 GLU H 1 37 GLU QB . . 3.150 2.179 2.067 2.305 . 0 0 "[ . 1 . 2]" 1
662 1 37 GLU H 1 37 GLU HG2 . . 4.740 4.533 4.301 4.675 . 0 0 "[ . 1 . 2]" 1
663 1 37 GLU H 1 37 GLU HG3 . . 4.330 4.118 3.791 4.310 . 0 0 "[ . 1 . 2]" 1
664 1 37 GLU H 1 118 ILE MD . . 4.380 3.836 3.274 4.341 . 0 0 "[ . 1 . 2]" 1
665 1 37 GLU HA 1 37 GLU HG2 . . 3.870 2.803 2.084 3.357 . 0 0 "[ . 1 . 2]" 1
666 1 37 GLU HA 1 38 VAL H . . 3.410 2.261 2.202 2.411 . 0 0 "[ . 1 . 2]" 1
667 1 37 GLU QB 1 38 VAL H . . 4.050 3.513 2.824 3.941 . 0 0 "[ . 1 . 2]" 1
668 1 37 GLU QB 1 38 VAL QG . . 4.480 4.177 3.935 4.374 . 0 0 "[ . 1 . 2]" 1
669 1 37 GLU QB 1 116 ARG HD3 . . 4.090 4.064 3.878 4.174 0.084 12 0 "[ . 1 . 2]" 1
670 1 37 GLU QB 1 118 ILE MD . . 3.620 3.309 2.859 3.741 0.121 20 0 "[ . 1 . 2]" 1
671 1 37 GLU HG2 1 38 VAL H . . 4.360 3.437 2.414 4.039 . 0 0 "[ . 1 . 2]" 1
672 1 37 GLU HG2 1 117 TRP H . . 5.500 4.359 3.731 5.253 . 0 0 "[ . 1 . 2]" 1
673 1 37 GLU HG2 1 118 ILE MD . . 3.730 3.455 2.492 3.776 0.046 13 0 "[ . 1 . 2]" 1
674 1 37 GLU HG3 1 38 VAL H . . 4.480 3.773 3.247 4.338 . 0 0 "[ . 1 . 2]" 1
675 1 37 GLU HG3 1 38 VAL QG . . 4.520 4.360 4.098 4.881 0.361 8 0 "[ . 1 . 2]" 1
676 1 37 GLU HG3 1 116 ARG HD3 . . 4.590 2.138 1.955 2.565 . 0 0 "[ . 1 . 2]" 1
677 1 37 GLU HG3 1 117 TRP H . . 5.240 4.464 3.722 5.034 . 0 0 "[ . 1 . 2]" 1
678 1 37 GLU HG3 1 118 ILE MD . . 3.790 2.226 1.886 3.074 . 0 0 "[ . 1 . 2]" 1
679 1 38 VAL H 1 38 VAL QG . . 3.230 1.862 1.766 2.040 . 0 0 "[ . 1 . 2]" 1
680 1 38 VAL H 1 108 ILE MG . . 5.350 4.679 4.115 5.249 . 0 0 "[ . 1 . 2]" 1
681 1 38 VAL H 1 117 TRP H . . 5.500 5.062 4.375 5.532 0.032 18 0 "[ . 1 . 2]" 1
682 1 38 VAL H 1 117 TRP HB2 . . 5.190 3.664 3.398 4.139 . 0 0 "[ . 1 . 2]" 1
683 1 38 VAL H 1 117 TRP HB3 . . 5.200 4.580 4.192 5.073 . 0 0 "[ . 1 . 2]" 1
684 1 38 VAL H 1 118 ILE MD . . 4.010 4.101 3.808 4.347 0.337 13 0 "[ . 1 . 2]" 1
685 1 38 VAL H 1 118 ILE MG . . 4.420 5.036 4.503 5.110 0.690 15 18 "[*********-****+ ***2]" 1
686 1 38 VAL H 1 119 CYS H . . 5.030 4.000 2.737 4.675 . 0 0 "[ . 1 . 2]" 1
687 1 38 VAL HA 1 38 VAL QG . . 3.150 2.272 2.184 2.349 . 0 0 "[ . 1 . 2]" 1
688 1 38 VAL HB 1 39 ASP H . . 3.580 2.065 1.907 2.509 . 0 0 "[ . 1 . 2]" 1
689 1 38 VAL HB 1 46 ILE MG . . 3.200 2.710 2.512 3.114 . 0 0 "[ . 1 . 2]" 1
690 1 38 VAL QG 1 40 GLU H . . 3.630 3.515 2.728 3.618 . 0 0 "[ . 1 . 2]" 1
691 1 38 VAL QG 1 108 ILE HA . . 4.430 3.384 2.475 3.815 . 0 0 "[ . 1 . 2]" 1
692 1 38 VAL QG 1 108 ILE HB . . 5.000 4.078 3.605 4.363 . 0 0 "[ . 1 . 2]" 1
693 1 38 VAL QG 1 108 ILE MD . . 3.300 2.360 1.873 2.628 . 0 0 "[ . 1 . 2]" 1
694 1 38 VAL QG 1 109 CYS H . . 5.100 3.768 2.759 4.105 . 0 0 "[ . 1 . 2]" 1
695 1 38 VAL QG 1 117 TRP H . . 4.630 4.016 2.875 4.391 . 0 0 "[ . 1 . 2]" 1
696 1 38 VAL QG 1 117 TRP HA . . 4.530 3.924 3.498 4.288 . 0 0 "[ . 1 . 2]" 1
697 1 38 VAL QG 1 117 TRP HB2 . . 3.470 2.097 1.838 2.408 . 0 0 "[ . 1 . 2]" 1
698 1 38 VAL QG 1 117 TRP HB3 . . 3.490 2.491 1.897 2.997 . 0 0 "[ . 1 . 2]" 1
699 1 38 VAL QG 1 117 TRP HD1 . . 4.770 4.076 3.386 4.389 . 0 0 "[ . 1 . 2]" 1
700 1 38 VAL QG 1 117 TRP HE3 . . 4.520 4.078 3.450 4.442 . 0 0 "[ . 1 . 2]" 1
701 1 38 VAL QG 1 118 ILE H . . 4.560 3.741 3.340 4.018 . 0 0 "[ . 1 . 2]" 1
702 1 38 VAL QG 1 119 CYS H . . 4.240 3.055 2.569 3.381 . 0 0 "[ . 1 . 2]" 1
703 1 38 VAL QG 1 119 CYS HA . . 4.280 3.331 2.361 3.605 . 0 0 "[ . 1 . 2]" 1
704 1 38 VAL QG 1 119 CYS HB2 . . 3.400 1.792 1.748 1.838 . 0 0 "[ . 1 . 2]" 1
705 1 39 ASP H 1 39 ASP HB2 . . 3.740 2.685 2.158 2.888 . 0 0 "[ . 1 . 2]" 1
706 1 39 ASP H 1 39 ASP HB3 . . 3.640 3.121 2.925 3.513 . 0 0 "[ . 1 . 2]" 1
707 1 39 ASP H 1 40 GLU H . . 3.930 1.882 1.769 2.463 . 0 0 "[ . 1 . 2]" 1
708 1 39 ASP H 1 46 ILE MD . . 4.050 3.738 3.443 4.062 0.012 6 0 "[ . 1 . 2]" 1
709 1 39 ASP H 1 46 ILE MG . . 3.950 3.226 2.156 3.701 . 0 0 "[ . 1 . 2]" 1
710 1 39 ASP HB2 1 40 GLU H . . 4.590 3.326 2.427 4.206 . 0 0 "[ . 1 . 2]" 1
711 1 39 ASP HB2 1 40 GLU QG . . 4.300 3.671 2.991 4.068 . 0 0 "[ . 1 . 2]" 1
712 1 39 ASP HB2 1 46 ILE MD . . 4.610 4.364 1.968 4.948 0.338 19 0 "[ . 1 . 2]" 1
713 1 39 ASP HB3 1 40 GLU H . . 4.750 2.803 2.468 3.905 . 0 0 "[ . 1 . 2]" 1
714 1 39 ASP HB3 1 40 GLU QG . . 4.290 2.421 2.224 2.896 . 0 0 "[ . 1 . 2]" 1
715 1 39 ASP HB3 1 46 ILE MD . . 4.830 4.144 2.557 4.472 . 0 0 "[ . 1 . 2]" 1
716 1 39 ASP HB3 1 46 ILE MG . . 4.970 4.909 3.143 5.414 0.444 7 0 "[ . 1 . 2]" 1
717 1 40 GLU H 1 40 GLU QG . . 4.090 2.269 1.895 3.015 . 0 0 "[ . 1 . 2]" 1
718 1 40 GLU H 1 41 SER H . . 5.230 2.251 1.907 2.583 . 0 0 "[ . 1 . 2]" 1
719 1 40 GLU H 1 46 ILE MD . . 3.650 3.060 2.587 3.831 0.181 10 0 "[ . 1 . 2]" 1
720 1 40 GLU H 1 46 ILE HG13 . . 5.240 4.601 3.782 5.062 . 0 0 "[ . 1 . 2]" 1
721 1 40 GLU H 1 46 ILE MG . . 3.720 3.276 2.034 3.726 0.006 10 0 "[ . 1 . 2]" 1
722 1 40 GLU HA 1 40 GLU QG . . 3.500 2.793 2.601 3.286 . 0 0 "[ . 1 . 2]" 1
723 1 40 GLU HA 1 41 SER H . . 3.570 3.585 3.499 3.642 0.072 16 0 "[ . 1 . 2]" 1
724 1 40 GLU HA 1 42 ARG H . . 4.810 4.174 4.016 4.838 0.028 16 0 "[ . 1 . 2]" 1
725 1 40 GLU HA 1 46 ILE MD . . 4.770 4.679 4.245 5.084 0.314 19 0 "[ . 1 . 2]" 1
726 1 40 GLU HB2 1 41 SER H . . 4.480 2.738 1.932 3.464 . 0 0 "[ . 1 . 2]" 1
727 1 40 GLU HB2 1 42 ARG H . . 3.990 2.256 1.988 2.501 . 0 0 "[ . 1 . 2]" 1
728 1 40 GLU HB2 1 46 ILE MD . . 3.360 2.550 2.090 3.767 0.407 19 0 "[ . 1 . 2]" 1
729 1 40 GLU HB2 1 46 ILE MG . . 4.320 3.514 3.087 4.474 0.154 19 0 "[ . 1 . 2]" 1
730 1 40 GLU HB3 1 41 SER H . . 4.060 3.918 3.084 4.294 0.234 19 0 "[ . 1 . 2]" 1
731 1 40 GLU HB3 1 42 ARG H . . 4.090 3.187 2.900 4.011 . 0 0 "[ . 1 . 2]" 1
732 1 40 GLU HB3 1 46 ILE MD . . 3.670 3.718 3.435 3.787 0.117 20 0 "[ . 1 . 2]" 1
733 1 40 GLU QG 1 41 SER H . . 4.490 3.806 3.350 3.937 . 0 0 "[ . 1 . 2]" 1
734 1 40 GLU QG 1 42 ARG H . . 4.680 4.132 3.856 4.289 . 0 0 "[ . 1 . 2]" 1
735 1 40 GLU QG 1 45 HIS HD2 . . 4.690 5.165 4.156 5.662 0.972 17 12 "[** *.* **1 * -*+**2]" 1
736 1 40 GLU QG 1 46 ILE MD . . 3.410 2.005 1.719 2.207 . 0 0 "[ . 1 . 2]" 1
737 1 40 GLU QG 1 46 ILE MG . . 4.420 3.695 3.052 4.110 . 0 0 "[ . 1 . 2]" 1
738 1 41 SER H 1 42 ARG H . . 3.940 2.466 1.843 2.903 . 0 0 "[ . 1 . 2]" 1
739 1 41 SER H 1 46 ILE MD . . 5.140 3.694 3.243 4.234 . 0 0 "[ . 1 . 2]" 1
740 1 41 SER H 1 108 ILE MD . . 5.500 2.931 2.515 3.294 . 0 0 "[ . 1 . 2]" 1
741 1 41 SER H 1 108 ILE QG . . 5.410 4.951 4.303 5.291 . 0 0 "[ . 1 . 2]" 1
742 1 41 SER H 1 108 ILE MG . . 5.200 3.933 3.670 4.239 . 0 0 "[ . 1 . 2]" 1
743 1 41 SER HA 1 108 ILE HB . . 4.270 4.260 3.886 4.351 0.081 9 0 "[ . 1 . 2]" 1
744 1 41 SER HA 1 108 ILE MD . . 4.300 2.012 1.828 2.488 . 0 0 "[ . 1 . 2]" 1
745 1 41 SER HA 1 108 ILE MG . . 3.250 2.138 1.944 2.429 . 0 0 "[ . 1 . 2]" 1
746 1 42 ARG H 1 42 ARG HB3 . . 4.160 3.519 3.327 3.877 . 0 0 "[ . 1 . 2]" 1
747 1 42 ARG H 1 42 ARG QD . . 4.130 3.511 2.265 3.972 . 0 0 "[ . 1 . 2]" 1
748 1 42 ARG H 1 42 ARG HG2 . . 4.120 2.782 2.102 4.375 0.255 19 0 "[ . 1 . 2]" 1
749 1 42 ARG H 1 42 ARG HG3 . . 4.250 3.467 2.332 4.000 . 0 0 "[ . 1 . 2]" 1
750 1 42 ARG H 1 43 GLY HA3 . . 5.190 4.448 4.362 4.732 . 0 0 "[ . 1 . 2]" 1
751 1 42 ARG H 1 46 ILE MD . . 4.640 3.870 3.492 4.723 0.083 19 0 "[ . 1 . 2]" 1
752 1 42 ARG H 1 46 ILE HG13 . . 4.560 3.283 2.864 4.008 . 0 0 "[ . 1 . 2]" 1
753 1 42 ARG H 1 46 ILE MG . . 5.240 3.716 3.288 4.217 . 0 0 "[ . 1 . 2]" 1
754 1 42 ARG H 1 108 ILE MD . . 4.370 3.043 2.804 3.408 . 0 0 "[ . 1 . 2]" 1
755 1 42 ARG HA 1 42 ARG QD . . 4.690 3.927 3.601 4.196 . 0 0 "[ . 1 . 2]" 1
756 1 42 ARG HA 1 94 PHE HB2 . . 4.090 3.580 3.071 4.157 0.067 9 0 "[ . 1 . 2]" 1
757 1 42 ARG HA 1 94 PHE HB3 . . 4.360 3.222 2.499 3.702 . 0 0 "[ . 1 . 2]" 1
758 1 42 ARG HA 1 94 PHE QD . . 4.650 2.961 2.305 3.538 . 0 0 "[ . 1 . 2]" 1
759 1 42 ARG HA 1 108 ILE MD . . 3.670 2.324 1.961 3.107 . 0 0 "[ . 1 . 2]" 1
760 1 42 ARG HB2 1 43 GLY H . . 4.290 3.386 3.171 3.740 . 0 0 "[ . 1 . 2]" 1
761 1 42 ARG HB2 1 43 GLY HA3 . . 5.250 4.921 4.712 5.086 . 0 0 "[ . 1 . 2]" 1
762 1 42 ARG HB2 1 94 PHE HB2 . . 4.580 4.207 3.165 4.642 0.062 2 0 "[ . 1 . 2]" 1
763 1 42 ARG HB2 1 94 PHE QD . . 4.730 4.244 3.819 4.710 . 0 0 "[ . 1 . 2]" 1
764 1 42 ARG HB3 1 43 GLY H . . 4.130 4.190 2.882 4.367 0.237 1 0 "[ . 1 . 2]" 1
765 1 42 ARG HB3 1 94 PHE HB2 . . 4.580 3.779 2.747 4.509 . 0 0 "[ . 1 . 2]" 1
766 1 42 ARG HB3 1 94 PHE QD . . 4.640 4.498 2.987 4.827 0.187 13 0 "[ . 1 . 2]" 1
767 1 42 ARG QD 1 108 ILE MD . . 4.940 4.790 4.332 5.055 0.115 10 0 "[ . 1 . 2]" 1
768 1 43 GLY H 1 94 PHE QE . . 4.730 2.734 2.223 3.361 . 0 0 "[ . 1 . 2]" 1
769 1 43 GLY H 1 96 ALA MB . . 4.490 4.565 4.415 4.587 0.097 8 0 "[ . 1 . 2]" 1
770 1 43 GLY H 1 108 ILE MD . . 4.560 3.265 2.849 3.753 . 0 0 "[ . 1 . 2]" 1
771 1 43 GLY HA2 1 44 MET ME . . 4.040 3.181 2.736 3.754 . 0 0 "[ . 1 . 2]" 1
772 1 43 GLY HA2 1 45 HIS HE1 . . 4.110 4.297 3.893 4.438 0.328 17 0 "[ . 1 . 2]" 1
773 1 43 GLY HA2 1 46 ILE H . . 5.020 4.137 3.907 4.415 . 0 0 "[ . 1 . 2]" 1
774 1 43 GLY HA2 1 46 ILE HB . . 5.130 4.743 4.364 5.227 0.097 13 0 "[ . 1 . 2]" 1
775 1 43 GLY HA2 1 46 ILE MD . . 4.960 4.731 4.693 4.778 . 0 0 "[ . 1 . 2]" 1
776 1 43 GLY HA2 1 46 ILE HG12 . . 5.180 3.680 3.591 3.777 . 0 0 "[ . 1 . 2]" 1
777 1 43 GLY HA2 1 46 ILE HG13 . . 4.970 3.822 3.596 4.733 . 0 0 "[ . 1 . 2]" 1
778 1 43 GLY HA3 1 44 MET QB . . 4.920 5.054 4.952 5.166 0.246 9 0 "[ . 1 . 2]" 1
779 1 43 GLY HA3 1 45 HIS HE1 . . 4.430 3.699 2.834 4.124 . 0 0 "[ . 1 . 2]" 1
780 1 43 GLY HA3 1 46 ILE MD . . 4.630 3.286 3.236 3.383 . 0 0 "[ . 1 . 2]" 1
781 1 43 GLY HA3 1 46 ILE HG13 . . 5.220 2.231 1.980 3.306 . 0 0 "[ . 1 . 2]" 1
782 1 43 GLY HA3 1 47 CYS H . . 5.370 4.970 4.554 5.564 0.194 13 0 "[ . 1 . 2]" 1
783 1 43 GLY HA3 1 94 PHE QE . . 5.040 4.574 4.177 5.229 0.189 3 0 "[ . 1 . 2]" 1
784 1 44 MET H 1 44 MET HG2 . . 4.430 3.706 3.468 3.944 . 0 0 "[ . 1 . 2]" 1
785 1 44 MET H 1 44 MET HG3 . . 4.600 2.424 1.952 3.544 . 0 0 "[ . 1 . 2]" 1
786 1 44 MET H 1 94 PHE QE . . 5.500 3.349 2.644 4.168 . 0 0 "[ . 1 . 2]" 1
787 1 44 MET HA 1 44 MET HG2 . . 3.890 3.030 2.788 3.582 . 0 0 "[ . 1 . 2]" 1
788 1 44 MET HA 1 44 MET HG3 . . 3.830 2.516 2.225 2.717 . 0 0 "[ . 1 . 2]" 1
789 1 44 MET HA 1 46 ILE H . . 5.070 3.769 3.531 4.029 . 0 0 "[ . 1 . 2]" 1
790 1 44 MET HA 1 47 CYS H . . 4.590 3.752 3.485 4.053 . 0 0 "[ . 1 . 2]" 1
791 1 44 MET HA 1 47 CYS QB . . 4.280 3.862 3.292 4.593 0.313 19 0 "[ . 1 . 2]" 1
792 1 44 MET HA 1 94 PHE QE . . 4.450 2.541 2.299 2.930 . 0 0 "[ . 1 . 2]" 1
793 1 44 MET HA 1 94 PHE HZ . . 3.850 3.634 2.019 3.918 0.068 9 0 "[ . 1 . 2]" 1
794 1 44 MET HA 1 96 ALA MB . . 3.960 2.205 1.985 2.623 . 0 0 "[ . 1 . 2]" 1
795 1 44 MET QB 1 94 PHE QE . . 4.690 4.188 3.760 4.682 . 0 0 "[ . 1 . 2]" 1
796 1 44 MET QB 1 94 PHE HZ . . 4.390 4.283 3.581 4.474 0.084 16 0 "[ . 1 . 2]" 1
797 1 44 MET QB 1 96 ALA MB . . 3.570 3.006 2.587 3.571 0.001 8 0 "[ . 1 . 2]" 1
798 1 44 MET ME 1 45 HIS H . . 3.970 3.740 3.341 3.992 0.022 6 0 "[ . 1 . 2]" 1
799 1 44 MET ME 1 94 PHE QE . . 4.130 3.931 3.197 4.200 0.070 11 0 "[ . 1 . 2]" 1
800 1 44 MET HG2 1 94 PHE QE . . 4.370 3.835 3.078 4.498 0.128 11 0 "[ . 1 . 2]" 1
801 1 44 MET HG2 1 94 PHE HZ . . 3.990 3.096 2.459 3.708 . 0 0 "[ . 1 . 2]" 1
802 1 44 MET HG2 1 96 ALA MB . . 4.040 2.452 1.885 3.218 . 0 0 "[ . 1 . 2]" 1
803 1 44 MET HG3 1 94 PHE QE . . 4.530 2.827 2.021 3.382 . 0 0 "[ . 1 . 2]" 1
804 1 44 MET HG3 1 94 PHE HZ . . 4.070 2.253 2.000 2.803 . 0 0 "[ . 1 . 2]" 1
805 1 44 MET HG3 1 96 ALA MB . . 3.710 2.789 1.885 3.686 . 0 0 "[ . 1 . 2]" 1
806 1 45 HIS H 1 46 ILE H . . 5.500 2.375 2.200 2.622 . 0 0 "[ . 1 . 2]" 1
807 1 45 HIS HA 1 48 GLU H . . 4.220 3.617 3.476 3.821 . 0 0 "[ . 1 . 2]" 1
808 1 45 HIS HA 1 48 GLU HB2 . . 4.180 2.842 2.410 3.130 . 0 0 "[ . 1 . 2]" 1
809 1 45 HIS HA 1 48 GLU HB3 . . 4.690 4.403 3.719 4.772 0.082 3 0 "[ . 1 . 2]" 1
810 1 45 HIS HB2 1 45 HIS HD2 . . 3.710 2.859 2.806 2.902 . 0 0 "[ . 1 . 2]" 1
811 1 45 HIS HB2 1 46 ILE H . . 5.020 4.277 4.069 4.365 . 0 0 "[ . 1 . 2]" 1
812 1 45 HIS HB2 1 48 GLU HB2 . . 4.900 4.394 4.113 4.683 . 0 0 "[ . 1 . 2]" 1
813 1 45 HIS HB3 1 46 ILE H . . 4.810 4.306 4.189 4.400 . 0 0 "[ . 1 . 2]" 1
814 1 45 HIS HD2 1 46 ILE HA . . 5.030 3.523 3.328 3.863 . 0 0 "[ . 1 . 2]" 1
815 1 45 HIS HD2 1 46 ILE MD . . 3.700 2.753 2.125 3.143 . 0 0 "[ . 1 . 2]" 1
816 1 45 HIS HD2 1 46 ILE HG12 . . 4.560 3.656 3.461 4.219 . 0 0 "[ . 1 . 2]" 1
817 1 45 HIS HD2 1 46 ILE HG13 . . 5.050 5.063 4.979 5.099 0.049 19 0 "[ . 1 . 2]" 1
818 1 45 HIS HE1 1 46 ILE MD . . 4.280 3.795 3.351 4.121 . 0 0 "[ . 1 . 2]" 1
819 1 45 HIS HE1 1 46 ILE HG12 . . 4.660 4.102 4.009 4.186 . 0 0 "[ . 1 . 2]" 1
820 1 45 HIS HE1 1 46 ILE HG13 . . 4.950 4.970 4.884 5.015 0.065 10 0 "[ . 1 . 2]" 1
821 1 46 ILE H 1 46 ILE HB . . 3.650 2.513 2.453 2.588 . 0 0 "[ . 1 . 2]" 1
822 1 46 ILE H 1 46 ILE MD . . 3.830 3.362 2.555 3.523 . 0 0 "[ . 1 . 2]" 1
823 1 46 ILE H 1 46 ILE HG12 . . 3.930 1.933 1.888 1.967 . 0 0 "[ . 1 . 2]" 1
824 1 46 ILE H 1 46 ILE HG13 . . 4.150 3.270 3.142 3.452 . 0 0 "[ . 1 . 2]" 1
825 1 46 ILE H 1 46 ILE MG . . 4.020 3.726 3.705 3.751 . 0 0 "[ . 1 . 2]" 1
826 1 46 ILE H 1 47 CYS H . . 4.010 2.690 2.420 2.893 . 0 0 "[ . 1 . 2]" 1
827 1 46 ILE H 1 48 GLU H . . 5.400 4.144 3.697 4.554 . 0 0 "[ . 1 . 2]" 1
828 1 46 ILE HA 1 46 ILE MD . . 3.060 2.203 1.933 2.372 . 0 0 "[ . 1 . 2]" 1
829 1 46 ILE HA 1 46 ILE HG13 . . 4.130 3.816 3.703 3.869 . 0 0 "[ . 1 . 2]" 1
830 1 46 ILE HA 1 46 ILE MG . . 3.300 2.292 2.185 2.443 . 0 0 "[ . 1 . 2]" 1
831 1 46 ILE HA 1 49 ASP H . . 4.470 3.288 3.051 3.445 . 0 0 "[ . 1 . 2]" 1
832 1 46 ILE HA 1 49 ASP HB2 . . 4.070 2.177 1.988 2.542 . 0 0 "[ . 1 . 2]" 1
833 1 46 ILE HA 1 49 ASP HB3 . . 3.980 3.365 3.105 3.775 . 0 0 "[ . 1 . 2]" 1
834 1 46 ILE HA 1 50 ALA H . . 4.980 4.238 3.902 4.437 . 0 0 "[ . 1 . 2]" 1
835 1 46 ILE HB 1 46 ILE MD . . 3.580 3.187 3.166 3.216 . 0 0 "[ . 1 . 2]" 1
836 1 46 ILE HB 1 47 CYS H . . 3.890 2.333 2.120 2.587 . 0 0 "[ . 1 . 2]" 1
837 1 46 ILE HB 1 108 ILE MD . . 4.060 2.643 2.178 3.121 . 0 0 "[ . 1 . 2]" 1
838 1 46 ILE MD 1 46 ILE MG . . 2.650 1.907 1.812 2.198 . 0 0 "[ . 1 . 2]" 1
839 1 46 ILE MD 1 47 CYS H . . 4.720 4.675 4.415 4.748 0.028 12 0 "[ . 1 . 2]" 1
840 1 46 ILE MD 1 49 ASP H . . 5.170 4.994 4.553 5.241 0.071 18 0 "[ . 1 . 2]" 1
841 1 46 ILE MD 1 49 ASP HB2 . . 4.760 3.660 3.277 4.025 . 0 0 "[ . 1 . 2]" 1
842 1 46 ILE HG12 1 47 CYS H . . 4.830 4.048 3.868 4.175 . 0 0 "[ . 1 . 2]" 1
843 1 46 ILE HG13 1 47 CYS H . . 5.100 4.517 4.290 4.849 . 0 0 "[ . 1 . 2]" 1
844 1 46 ILE MG 1 47 CYS H . . 4.270 3.380 3.059 3.725 . 0 0 "[ . 1 . 2]" 1
845 1 46 ILE MG 1 47 CYS HA . . 4.040 3.668 3.349 3.996 . 0 0 "[ . 1 . 2]" 1
846 1 46 ILE MG 1 49 ASP HB2 . . 4.620 3.570 3.297 3.967 . 0 0 "[ . 1 . 2]" 1
847 1 46 ILE MG 1 49 ASP HB3 . . 4.390 3.759 3.393 4.342 . 0 0 "[ . 1 . 2]" 1
848 1 46 ILE MG 1 50 ALA H . . 4.330 4.159 3.816 4.269 . 0 0 "[ . 1 . 2]" 1
849 1 46 ILE MG 1 50 ALA MB . . 4.140 3.648 3.218 4.129 . 0 0 "[ . 1 . 2]" 1
850 1 47 CYS H 1 47 CYS HG . . 5.500 3.307 2.018 4.818 . 0 0 "[ . 1 . 2]" 1
851 1 47 CYS H 1 48 GLU H . . 4.030 3.025 2.865 3.137 . 0 0 "[ . 1 . 2]" 1
852 1 47 CYS H 1 49 ASP H . . 5.500 4.411 4.235 4.742 . 0 0 "[ . 1 . 2]" 1
853 1 47 CYS H 1 108 ILE MD . . 4.300 3.899 3.265 4.338 0.038 13 0 "[ . 1 . 2]" 1
854 1 47 CYS HA 1 50 ALA H . . 4.270 3.594 3.333 3.859 . 0 0 "[ . 1 . 2]" 1
855 1 47 CYS HA 1 50 ALA MB . . 3.400 2.742 2.348 3.136 . 0 0 "[ . 1 . 2]" 1
856 1 47 CYS HA 1 106 SER QB . . 4.860 3.124 2.271 3.763 . 0 0 "[ . 1 . 2]" 1
857 1 47 CYS QB 1 48 GLU H . . 3.960 2.571 2.204 3.496 . 0 0 "[ . 1 . 2]" 1
858 1 47 CYS QB 1 51 VAL MG2 . . 4.680 4.190 3.823 4.589 . 0 0 "[ . 1 . 2]" 1
859 1 47 CYS QB 1 106 SER H . . 5.500 3.167 2.892 3.647 . 0 0 "[ . 1 . 2]" 1
860 1 47 CYS QB 1 106 SER QB . . 4.130 2.669 1.941 3.628 . 0 0 "[ . 1 . 2]" 1
861 1 48 GLU H 1 48 GLU HB2 . . 3.700 2.292 2.125 2.509 . 0 0 "[ . 1 . 2]" 1
862 1 48 GLU H 1 48 GLU HB3 . . 3.970 3.503 3.426 3.548 . 0 0 "[ . 1 . 2]" 1
863 1 48 GLU H 1 48 GLU HG2 . . 4.340 3.873 3.095 4.214 . 0 0 "[ . 1 . 2]" 1
864 1 48 GLU H 1 48 GLU HG3 . . 3.920 2.813 2.004 3.829 . 0 0 "[ . 1 . 2]" 1
865 1 48 GLU H 1 49 ASP H . . 4.530 2.848 2.580 2.915 . 0 0 "[ . 1 . 2]" 1
866 1 48 GLU H 1 49 ASP HB2 . . 4.920 4.528 4.330 4.585 . 0 0 "[ . 1 . 2]" 1
867 1 48 GLU H 1 50 ALA H . . 4.830 3.970 3.786 4.193 . 0 0 "[ . 1 . 2]" 1
868 1 48 GLU H 1 51 VAL MG2 . . 4.400 4.468 4.183 4.512 0.112 16 0 "[ . 1 . 2]" 1
869 1 48 GLU HA 1 48 GLU HG3 . . 3.860 2.406 2.115 3.147 . 0 0 "[ . 1 . 2]" 1
870 1 48 GLU HA 1 51 VAL H . . 4.420 3.317 3.176 3.520 . 0 0 "[ . 1 . 2]" 1
871 1 48 GLU HA 1 51 VAL HB . . 3.460 3.374 3.035 3.531 0.071 19 0 "[ . 1 . 2]" 1
872 1 48 GLU HA 1 51 VAL MG1 . . 4.610 4.566 4.356 4.677 0.067 19 0 "[ . 1 . 2]" 1
873 1 48 GLU HA 1 51 VAL MG2 . . 4.000 2.340 2.047 2.772 . 0 0 "[ . 1 . 2]" 1
874 1 48 GLU HA 1 52 LYS H . . 5.170 4.386 3.995 4.901 . 0 0 "[ . 1 . 2]" 1
875 1 48 GLU HB2 1 49 ASP H . . 4.760 2.576 2.379 2.890 . 0 0 "[ . 1 . 2]" 1
876 1 48 GLU HB2 1 100 ASN HD22 . . 5.160 3.594 2.884 4.649 . 0 0 "[ . 1 . 2]" 1
877 1 48 GLU HB3 1 49 ASP H . . 4.500 3.269 2.806 3.609 . 0 0 "[ . 1 . 2]" 1
878 1 48 GLU HB3 1 49 ASP HB2 . . 4.850 5.178 4.769 5.450 0.600 19 4 "[ * 1 -* +2]" 1
879 1 48 GLU HB3 1 50 ALA H . . 5.040 5.029 4.840 5.229 0.189 20 0 "[ . 1 . 2]" 1
880 1 48 GLU HB3 1 100 ASN HD22 . . 4.610 2.612 2.009 3.782 . 0 0 "[ . 1 . 2]" 1
881 1 48 GLU HG2 1 99 ARG H . . 4.850 3.150 2.239 4.063 . 0 0 "[ . 1 . 2]" 1
882 1 48 GLU HG3 1 51 VAL MG2 . . 4.470 4.052 3.370 5.088 0.618 19 1 "[ . 1 . +2]" 1
883 1 48 GLU HG3 1 99 ARG H . . 4.990 3.928 3.198 4.800 . 0 0 "[ . 1 . 2]" 1
884 1 49 ASP H 1 49 ASP HB2 . . 3.300 2.047 2.006 2.081 . 0 0 "[ . 1 . 2]" 1
885 1 49 ASP H 1 49 ASP HB3 . . 3.360 3.311 3.215 3.369 0.009 18 0 "[ . 1 . 2]" 1
886 1 49 ASP H 1 50 ALA H . . 3.740 2.807 2.642 2.923 . 0 0 "[ . 1 . 2]" 1
887 1 49 ASP H 1 51 VAL H . . 5.200 4.748 4.449 4.959 . 0 0 "[ . 1 . 2]" 1
888 1 49 ASP HA 1 51 VAL H . . 5.480 4.851 4.395 5.112 . 0 0 "[ . 1 . 2]" 1
889 1 49 ASP HA 1 52 LYS H . . 4.400 3.806 3.425 4.050 . 0 0 "[ . 1 . 2]" 1
890 1 49 ASP HA 1 52 LYS HB2 . . 3.960 2.839 2.503 3.094 . 0 0 "[ . 1 . 2]" 1
891 1 49 ASP HA 1 52 LYS QD . . 3.730 2.181 1.992 2.943 . 0 0 "[ . 1 . 2]" 1
892 1 49 ASP HA 1 52 LYS QE . . 4.020 3.820 2.116 4.086 0.066 11 0 "[ . 1 . 2]" 1
893 1 49 ASP HA 1 52 LYS HG2 . . 4.740 4.709 4.549 4.819 0.079 8 0 "[ . 1 . 2]" 1
894 1 49 ASP HB2 1 50 ALA H . . 3.890 3.252 3.097 3.394 . 0 0 "[ . 1 . 2]" 1
895 1 49 ASP HB2 1 50 ALA HA . . 4.980 4.983 4.817 5.105 0.125 16 0 "[ . 1 . 2]" 1
896 1 49 ASP HB3 1 50 ALA H . . 3.700 3.181 2.819 3.348 . 0 0 "[ . 1 . 2]" 1
897 1 49 ASP HB3 1 50 ALA MB . . 4.670 4.206 3.967 4.373 . 0 0 "[ . 1 . 2]" 1
898 1 50 ALA H 1 50 ALA MB . . 3.040 2.097 2.013 2.158 . 0 0 "[ . 1 . 2]" 1
899 1 50 ALA H 1 51 VAL H . . 3.830 2.826 2.669 2.937 . 0 0 "[ . 1 . 2]" 1
900 1 50 ALA H 1 51 VAL HB . . 5.020 4.890 4.739 4.939 . 0 0 "[ . 1 . 2]" 1
901 1 50 ALA H 1 51 VAL MG2 . . 4.890 3.998 3.771 4.252 . 0 0 "[ . 1 . 2]" 1
902 1 50 ALA HA 1 53 ARG H . . 3.900 3.472 3.352 3.645 . 0 0 "[ . 1 . 2]" 1
903 1 50 ALA HA 1 53 ARG HB2 . . 3.750 2.549 2.397 2.695 . 0 0 "[ . 1 . 2]" 1
904 1 50 ALA HA 1 53 ARG HB3 . . 3.760 3.496 3.213 3.832 0.072 2 0 "[ . 1 . 2]" 1
905 1 50 ALA HA 1 53 ARG QD . . 4.110 3.126 2.861 3.376 . 0 0 "[ . 1 . 2]" 1
906 1 50 ALA HA 1 53 ARG HE . . 5.500 4.986 4.015 5.407 . 0 0 "[ . 1 . 2]" 1
907 1 50 ALA HA 1 54 LEU H . . 4.880 4.449 4.220 4.774 . 0 0 "[ . 1 . 2]" 1
908 1 50 ALA MB 1 51 VAL H . . 3.310 2.214 2.040 2.511 . 0 0 "[ . 1 . 2]" 1
909 1 50 ALA MB 1 51 VAL HB . . 4.780 4.531 4.393 4.672 . 0 0 "[ . 1 . 2]" 1
910 1 50 ALA MB 1 51 VAL MG2 . . 3.620 2.956 2.797 3.185 . 0 0 "[ . 1 . 2]" 1
911 1 50 ALA MB 1 52 LYS H . . 4.830 4.682 4.564 4.752 . 0 0 "[ . 1 . 2]" 1
912 1 50 ALA MB 1 53 ARG QD . . 4.230 4.164 3.894 4.363 0.133 12 0 "[ . 1 . 2]" 1
913 1 50 ALA MB 1 119 CYS HB2 . . 4.300 3.749 3.331 4.040 . 0 0 "[ . 1 . 2]" 1
914 1 50 ALA MB 1 119 CYS HB3 . . 4.520 2.758 2.305 3.234 . 0 0 "[ . 1 . 2]" 1
915 1 51 VAL H 1 51 VAL HB . . 3.480 2.619 2.515 2.708 . 0 0 "[ . 1 . 2]" 1
916 1 51 VAL H 1 51 VAL MG1 . . 3.800 3.692 3.662 3.711 . 0 0 "[ . 1 . 2]" 1
917 1 51 VAL H 1 51 VAL MG2 . . 3.110 1.975 1.847 2.128 . 0 0 "[ . 1 . 2]" 1
918 1 51 VAL H 1 52 LYS H . . 3.770 3.097 2.793 3.201 . 0 0 "[ . 1 . 2]" 1
919 1 51 VAL H 1 52 LYS QD . . 5.180 4.305 4.063 4.585 . 0 0 "[ . 1 . 2]" 1
920 1 51 VAL H 1 53 ARG H . . 4.760 4.241 3.991 4.486 . 0 0 "[ . 1 . 2]" 1
921 1 51 VAL H 1 104 ALA MB . . 5.310 5.067 4.883 5.222 . 0 0 "[ . 1 . 2]" 1
922 1 51 VAL H 1 121 CYS HB2 . . 4.790 5.061 4.099 5.574 0.784 2 2 "[ + . 1 . -2]" 1
923 1 51 VAL H 1 121 CYS HB3 . . 4.780 4.267 3.805 5.150 0.370 3 0 "[ . 1 . 2]" 1
924 1 51 VAL HA 1 51 VAL MG1 . . 3.170 2.378 2.264 2.470 . 0 0 "[ . 1 . 2]" 1
925 1 51 VAL HA 1 51 VAL MG2 . . 3.110 2.361 2.248 2.477 . 0 0 "[ . 1 . 2]" 1
926 1 51 VAL HA 1 54 LEU H . . 4.110 3.355 3.183 3.538 . 0 0 "[ . 1 . 2]" 1
927 1 51 VAL HA 1 54 LEU HB2 . . 4.770 3.071 2.860 3.218 . 0 0 "[ . 1 . 2]" 1
928 1 51 VAL HA 1 54 LEU HB3 . . 4.760 4.757 4.576 4.881 0.121 6 0 "[ . 1 . 2]" 1
929 1 51 VAL HA 1 54 LEU MD1 . . 3.970 2.586 2.239 2.804 . 0 0 "[ . 1 . 2]" 1
930 1 51 VAL HA 1 55 LYS H . . 4.610 4.246 3.920 4.497 . 0 0 "[ . 1 . 2]" 1
931 1 51 VAL HA 1 121 CYS HB2 . . 4.110 3.670 3.275 3.933 . 0 0 "[ . 1 . 2]" 1
932 1 51 VAL HB 1 52 LYS H . . 3.760 2.215 2.132 2.356 . 0 0 "[ . 1 . 2]" 1
933 1 51 VAL HB 1 52 LYS HA . . 4.830 4.119 3.990 4.276 . 0 0 "[ . 1 . 2]" 1
934 1 51 VAL HB 1 53 ARG H . . 5.070 4.812 4.596 5.000 . 0 0 "[ . 1 . 2]" 1
935 1 51 VAL HB 1 104 ALA MB . . 4.590 3.791 3.512 4.010 . 0 0 "[ . 1 . 2]" 1
936 1 51 VAL MG1 1 52 LYS H . . 3.840 3.286 3.043 3.484 . 0 0 "[ . 1 . 2]" 1
937 1 51 VAL MG1 1 52 LYS HA . . 3.920 3.599 3.314 3.855 . 0 0 "[ . 1 . 2]" 1
938 1 51 VAL MG1 1 52 LYS QD . . 4.750 4.211 3.524 4.819 0.069 5 0 "[ . 1 . 2]" 1
939 1 51 VAL MG1 1 52 LYS HG3 . . 4.780 3.914 3.605 4.208 . 0 0 "[ . 1 . 2]" 1
940 1 51 VAL MG1 1 53 ARG H . . 5.500 4.952 4.654 5.161 . 0 0 "[ . 1 . 2]" 1
941 1 51 VAL MG1 1 54 LEU H . . 4.480 4.487 4.241 4.574 0.094 5 0 "[ . 1 . 2]" 1
942 1 51 VAL MG1 1 55 LYS H . . 4.270 3.962 3.671 4.228 . 0 0 "[ . 1 . 2]" 1
943 1 51 VAL MG1 1 55 LYS HA . . 4.660 4.745 4.663 4.839 0.179 16 0 "[ . 1 . 2]" 1
944 1 51 VAL MG1 1 55 LYS QB . . 3.930 3.421 2.966 3.996 0.066 12 0 "[ . 1 . 2]" 1
945 1 51 VAL MG1 1 55 LYS QD . . 3.190 2.611 1.753 3.276 0.086 9 0 "[ . 1 . 2]" 1
946 1 51 VAL MG1 1 55 LYS QE . . 3.560 2.135 1.688 3.217 . 0 0 "[ . 1 . 2]" 1
947 1 51 VAL MG1 1 101 PHE HB2 . . 4.990 4.502 4.238 4.699 . 0 0 "[ . 1 . 2]" 1
948 1 51 VAL MG1 1 101 PHE QD . . 3.500 3.331 3.162 3.540 0.040 8 0 "[ . 1 . 2]" 1
949 1 51 VAL MG1 1 101 PHE QE . . 4.820 2.626 2.382 2.902 . 0 0 "[ . 1 . 2]" 1
950 1 51 VAL MG1 1 101 PHE HZ . . 3.280 2.652 2.372 3.105 . 0 0 "[ . 1 . 2]" 1
951 1 51 VAL MG1 1 104 ALA MB . . 3.310 2.398 2.112 2.730 . 0 0 "[ . 1 . 2]" 1
952 1 51 VAL MG1 1 121 CYS HB2 . . 4.420 4.260 3.829 4.553 0.133 20 0 "[ . 1 . 2]" 1
953 1 51 VAL MG1 1 121 CYS HB3 . . 4.160 3.641 3.162 4.055 . 0 0 "[ . 1 . 2]" 1
954 1 51 VAL MG2 1 52 LYS H . . 4.050 3.640 3.503 3.777 . 0 0 "[ . 1 . 2]" 1
955 1 51 VAL MG2 1 54 LEU MD1 . . 4.450 3.632 3.406 3.902 . 0 0 "[ . 1 . 2]" 1
956 1 51 VAL MG2 1 101 PHE QD . . 5.060 3.913 3.612 4.209 . 0 0 "[ . 1 . 2]" 1
957 1 51 VAL MG2 1 101 PHE HZ . . 4.620 4.083 3.554 4.699 0.079 4 0 "[ . 1 . 2]" 1
958 1 51 VAL MG2 1 104 ALA MB . . 3.400 2.082 1.918 2.285 . 0 0 "[ . 1 . 2]" 1
959 1 51 VAL MG2 1 106 SER QB . . 4.600 2.890 2.502 3.576 . 0 0 "[ . 1 . 2]" 1
960 1 51 VAL MG2 1 121 CYS HA . . 4.300 3.833 3.562 4.201 . 0 0 "[ . 1 . 2]" 1
961 1 51 VAL MG2 1 121 CYS HB2 . . 3.080 3.377 2.878 3.661 0.581 2 2 "[ + . 1- . 2]" 1
962 1 51 VAL MG2 1 121 CYS HB3 . . 3.760 2.240 1.959 3.552 . 0 0 "[ . 1 . 2]" 1
963 1 51 VAL MG2 1 122 PHE H . . 4.700 4.034 3.787 4.403 . 0 0 "[ . 1 . 2]" 1
964 1 52 LYS H 1 52 LYS HB2 . . 3.540 2.432 2.303 2.599 . 0 0 "[ . 1 . 2]" 1
965 1 52 LYS H 1 52 LYS HB3 . . 3.650 3.541 3.518 3.554 . 0 0 "[ . 1 . 2]" 1
966 1 52 LYS H 1 52 LYS QD . . 3.670 2.377 1.930 2.671 . 0 0 "[ . 1 . 2]" 1
967 1 52 LYS H 1 52 LYS QE . . 4.500 4.224 3.585 4.505 0.005 13 0 "[ . 1 . 2]" 1
968 1 52 LYS H 1 52 LYS HG2 . . 3.890 3.817 3.558 3.995 0.105 18 0 "[ . 1 . 2]" 1
969 1 52 LYS H 1 52 LYS HG3 . . 4.200 2.614 2.063 3.103 . 0 0 "[ . 1 . 2]" 1
970 1 52 LYS H 1 53 ARG H . . 3.760 2.969 2.852 3.088 . 0 0 "[ . 1 . 2]" 1
971 1 52 LYS HA 1 52 LYS QD . . 3.990 3.677 3.338 3.958 . 0 0 "[ . 1 . 2]" 1
972 1 52 LYS HA 1 52 LYS HG2 . . 3.930 3.159 2.943 3.302 . 0 0 "[ . 1 . 2]" 1
973 1 52 LYS HA 1 52 LYS HG3 . . 3.470 2.232 2.076 2.462 . 0 0 "[ . 1 . 2]" 1
974 1 52 LYS HA 1 55 LYS H . . 4.150 3.182 2.858 3.361 . 0 0 "[ . 1 . 2]" 1
975 1 52 LYS HA 1 55 LYS QB . . 3.200 1.968 1.898 2.224 . 0 0 "[ . 1 . 2]" 1
976 1 52 LYS HA 1 55 LYS QD . . 3.950 3.194 2.547 4.081 0.131 19 0 "[ . 1 . 2]" 1
977 1 52 LYS HA 1 55 LYS HG2 . . 4.560 4.224 2.129 4.675 0.115 13 0 "[ . 1 . 2]" 1
978 1 52 LYS HA 1 55 LYS HG3 . . 4.460 3.845 2.263 4.826 0.366 6 0 "[ . 1 . 2]" 1
979 1 52 LYS HA 1 56 ALA H . . 4.710 4.418 4.149 4.690 . 0 0 "[ . 1 . 2]" 1
980 1 52 LYS HA 1 101 PHE HZ . . 4.580 3.252 2.681 3.616 . 0 0 "[ . 1 . 2]" 1
981 1 52 LYS HB2 1 52 LYS QE . . 4.670 3.739 2.332 4.040 . 0 0 "[ . 1 . 2]" 1
982 1 52 LYS HB2 1 53 ARG H . . 3.940 2.725 2.480 3.016 . 0 0 "[ . 1 . 2]" 1
983 1 52 LYS HB3 1 53 ARG H . . 3.980 3.570 3.284 3.904 . 0 0 "[ . 1 . 2]" 1
984 1 52 LYS HB3 1 101 PHE HZ . . 4.820 4.705 4.302 4.877 0.057 8 0 "[ . 1 . 2]" 1
985 1 52 LYS QD 1 53 ARG H . . 4.500 4.154 3.869 4.434 . 0 0 "[ . 1 . 2]" 1
986 1 52 LYS QD 1 100 ASN HD22 . . 5.160 3.833 3.106 5.062 . 0 0 "[ . 1 . 2]" 1
987 1 52 LYS QD 1 101 PHE QE . . 4.470 2.851 2.244 3.655 . 0 0 "[ . 1 . 2]" 1
988 1 52 LYS QD 1 101 PHE HZ . . 4.540 2.667 1.917 4.238 . 0 0 "[ . 1 . 2]" 1
989 1 52 LYS QE 1 52 LYS HG3 . . 3.820 2.900 2.603 3.468 . 0 0 "[ . 1 . 2]" 1
990 1 52 LYS QE 1 100 ASN HD21 . . 4.030 2.558 1.983 3.420 . 0 0 "[ . 1 . 2]" 1
991 1 52 LYS QE 1 100 ASN HD22 . . 3.920 2.572 1.938 3.671 . 0 0 "[ . 1 . 2]" 1
992 1 52 LYS QE 1 101 PHE HZ . . 3.820 3.655 2.931 3.892 0.072 12 0 "[ . 1 . 2]" 1
993 1 52 LYS HG2 1 101 PHE HZ . . 3.780 3.600 3.080 3.792 0.012 7 0 "[ . 1 . 2]" 1
994 1 52 LYS HG3 1 53 ARG H . . 5.020 4.747 4.482 4.977 . 0 0 "[ . 1 . 2]" 1
995 1 52 LYS HG3 1 101 PHE QE . . 4.770 3.215 2.715 3.470 . 0 0 "[ . 1 . 2]" 1
996 1 52 LYS HG3 1 101 PHE HZ . . 4.060 2.086 1.991 2.412 . 0 0 "[ . 1 . 2]" 1
997 1 53 ARG H 1 53 ARG HB2 . . 3.160 2.061 2.027 2.111 . 0 0 "[ . 1 . 2]" 1
998 1 53 ARG H 1 53 ARG HB3 . . 3.350 3.076 2.944 3.215 . 0 0 "[ . 1 . 2]" 1
999 1 53 ARG H 1 53 ARG QD . . 4.320 4.223 3.966 4.441 0.121 7 0 "[ . 1 . 2]" 1
1000 1 53 ARG H 1 53 ARG HG3 . . 3.950 3.803 3.573 3.977 0.027 7 0 "[ . 1 . 2]" 1
1001 1 53 ARG HA 1 53 ARG QD . . 4.090 3.970 3.779 4.074 . 0 0 "[ . 1 . 2]" 1
1002 1 53 ARG HA 1 53 ARG HG2 . . 2.960 2.688 2.401 2.975 0.015 7 0 "[ . 1 . 2]" 1
1003 1 53 ARG HA 1 53 ARG HG3 . . 3.010 2.344 2.129 2.574 . 0 0 "[ . 1 . 2]" 1
1004 1 53 ARG HA 1 56 ALA MB . . 3.180 2.937 2.780 3.093 . 0 0 "[ . 1 . 2]" 1
1005 1 53 ARG HA 1 57 THR H . . 4.510 4.527 4.260 4.597 0.087 13 0 "[ . 1 . 2]" 1
1006 1 53 ARG HB2 1 53 ARG HE . . 4.980 3.967 3.322 4.388 . 0 0 "[ . 1 . 2]" 1
1007 1 53 ARG HB2 1 54 LEU H . . 4.120 3.255 3.102 3.512 . 0 0 "[ . 1 . 2]" 1
1008 1 53 ARG HB3 1 53 ARG QD . . 3.050 2.482 2.331 2.645 . 0 0 "[ . 1 . 2]" 1
1009 1 53 ARG HB3 1 54 LEU H . . 3.390 2.448 2.278 2.870 . 0 0 "[ . 1 . 2]" 1
1010 1 53 ARG HB3 1 54 LEU HG . . 3.790 2.812 2.663 3.041 . 0 0 "[ . 1 . 2]" 1
1011 1 53 ARG QD 1 54 LEU MD2 . . 4.910 4.471 3.939 4.962 0.052 17 0 "[ . 1 . 2]" 1
1012 1 54 LEU H 1 54 LEU HB2 . . 3.690 2.513 2.446 2.564 . 0 0 "[ . 1 . 2]" 1
1013 1 54 LEU H 1 54 LEU HB3 . . 3.880 3.547 3.536 3.577 . 0 0 "[ . 1 . 2]" 1
1014 1 54 LEU H 1 54 LEU MD1 . . 3.950 3.251 3.051 3.472 . 0 0 "[ . 1 . 2]" 1
1015 1 54 LEU H 1 54 LEU MD2 . . 3.690 3.479 3.299 3.642 . 0 0 "[ . 1 . 2]" 1
1016 1 54 LEU H 1 54 LEU HG . . 3.740 2.099 1.974 2.283 . 0 0 "[ . 1 . 2]" 1
1017 1 54 LEU H 1 55 LYS H . . 4.080 2.557 2.349 2.656 . 0 0 "[ . 1 . 2]" 1
1018 1 54 LEU H 1 55 LYS QB . . 4.480 4.326 4.069 4.580 0.100 2 0 "[ . 1 . 2]" 1
1019 1 54 LEU H 1 56 ALA H . . 4.710 3.968 3.771 4.116 . 0 0 "[ . 1 . 2]" 1
1020 1 54 LEU H 1 56 ALA MB . . 5.110 5.042 4.780 5.303 0.193 19 0 "[ . 1 . 2]" 1
1021 1 54 LEU H 1 57 THR H . . 5.310 4.555 4.340 4.720 . 0 0 "[ . 1 . 2]" 1
1022 1 54 LEU H 1 57 THR MG . . 5.120 4.664 4.383 4.911 . 0 0 "[ . 1 . 2]" 1
1023 1 54 LEU HA 1 54 LEU MD1 . . 3.940 3.943 3.908 3.967 0.027 2 0 "[ . 1 . 2]" 1
1024 1 54 LEU HA 1 54 LEU MD2 . . 2.890 2.437 2.268 2.568 . 0 0 "[ . 1 . 2]" 1
1025 1 54 LEU HA 1 54 LEU HG . . 3.910 2.965 2.877 3.083 . 0 0 "[ . 1 . 2]" 1
1026 1 54 LEU HA 1 56 ALA H . . 3.870 3.708 3.527 3.807 . 0 0 "[ . 1 . 2]" 1
1027 1 54 LEU HA 1 57 THR H . . 4.000 2.887 2.715 3.066 . 0 0 "[ . 1 . 2]" 1
1028 1 54 LEU HA 1 57 THR HB . . 4.490 1.972 1.935 1.997 . 0 0 "[ . 1 . 2]" 1
1029 1 54 LEU HA 1 57 THR MG . . 3.170 2.261 1.948 2.472 . 0 0 "[ . 1 . 2]" 1
1030 1 54 LEU HB2 1 54 LEU MD1 . . 3.420 2.136 2.032 2.235 . 0 0 "[ . 1 . 2]" 1
1031 1 54 LEU HB2 1 54 LEU MD2 . . 3.330 3.178 3.157 3.209 . 0 0 "[ . 1 . 2]" 1
1032 1 54 LEU HB3 1 54 LEU MD1 . . 3.300 2.609 2.529 2.727 . 0 0 "[ . 1 . 2]" 1
1033 1 54 LEU HB3 1 54 LEU MD2 . . 3.670 2.159 2.094 2.264 . 0 0 "[ . 1 . 2]" 1
1034 1 54 LEU HB3 1 55 LYS H . . 4.270 4.150 3.745 4.378 0.108 8 0 "[ . 1 . 2]" 1
1035 1 54 LEU MD1 1 55 LYS H . . 5.280 4.650 4.413 4.926 . 0 0 "[ . 1 . 2]" 1
1036 1 54 LEU MD1 1 121 CYS H . . 4.130 3.217 2.886 3.632 . 0 0 "[ . 1 . 2]" 1
1037 1 54 LEU MD1 1 121 CYS HB2 . . 3.560 2.236 1.908 2.666 . 0 0 "[ . 1 . 2]" 1
1038 1 54 LEU MD1 1 121 CYS HB3 . . 3.450 3.204 2.302 3.555 0.105 16 0 "[ . 1 . 2]" 1
1039 1 54 LEU MD2 1 57 THR H . . 5.330 4.782 4.471 4.972 . 0 0 "[ . 1 . 2]" 1
1040 1 54 LEU MD2 1 57 THR HB . . 4.450 3.387 3.188 3.521 . 0 0 "[ . 1 . 2]" 1
1041 1 54 LEU MD2 1 57 THR MG . . 3.580 2.577 2.220 2.851 . 0 0 "[ . 1 . 2]" 1
1042 1 55 LYS H 1 55 LYS QB . . 3.200 2.157 2.005 2.566 . 0 0 "[ . 1 . 2]" 1
1043 1 55 LYS H 1 55 LYS QD . . 3.900 3.852 2.358 4.508 0.608 9 5 "[ - +** . * 2]" 1
1044 1 55 LYS H 1 55 LYS HG2 . . 3.810 3.832 1.887 4.584 0.774 7 8 "[* **.-+ 1 * * *]" 1
1045 1 55 LYS H 1 56 ALA H . . 3.560 2.407 2.195 2.725 . 0 0 "[ . 1 . 2]" 1
1046 1 55 LYS H 1 56 ALA HA . . 5.460 5.019 4.854 5.281 . 0 0 "[ . 1 . 2]" 1
1047 1 55 LYS H 1 56 ALA MB . . 4.190 3.968 3.794 4.279 0.089 16 0 "[ . 1 . 2]" 1
1048 1 55 LYS H 1 57 THR H . . 4.860 3.649 3.452 3.905 . 0 0 "[ . 1 . 2]" 1
1049 1 55 LYS H 1 57 THR MG . . 4.870 4.654 4.420 4.776 . 0 0 "[ . 1 . 2]" 1
1050 1 55 LYS HA 1 55 LYS QE . . 4.910 4.210 3.607 4.519 . 0 0 "[ . 1 . 2]" 1
1051 1 55 LYS HA 1 55 LYS HG2 . . 3.790 2.673 2.029 3.471 . 0 0 "[ . 1 . 2]" 1
1052 1 55 LYS HA 1 55 LYS HG3 . . 3.390 2.696 1.931 3.761 0.371 12 0 "[ . 1 . 2]" 1
1053 1 55 LYS QB 1 55 LYS QE . . 3.700 3.456 2.895 3.658 . 0 0 "[ . 1 . 2]" 1
1054 1 55 LYS QB 1 56 ALA H . . 3.630 3.203 3.073 3.361 . 0 0 "[ . 1 . 2]" 1
1055 1 55 LYS QB 1 57 THR H . . 4.830 4.660 4.605 4.746 . 0 0 "[ . 1 . 2]" 1
1056 1 55 LYS QD 1 55 LYS HG2 . . 2.700 2.331 2.180 2.563 . 0 0 "[ . 1 . 2]" 1
1057 1 55 LYS QD 1 101 PHE QD . . 4.930 3.990 3.123 4.842 . 0 0 "[ . 1 . 2]" 1
1058 1 55 LYS QD 1 101 PHE QE . . 4.290 2.415 1.808 3.557 . 0 0 "[ . 1 . 2]" 1
1059 1 55 LYS QD 1 101 PHE HZ . . 3.980 3.503 1.994 4.058 0.078 9 0 "[ . 1 . 2]" 1
1060 1 55 LYS QE 1 55 LYS HG2 . . 3.770 2.771 2.248 3.384 . 0 0 "[ . 1 . 2]" 1
1061 1 55 LYS QE 1 101 PHE QD . . 4.220 3.088 2.446 3.425 . 0 0 "[ . 1 . 2]" 1
1062 1 55 LYS QE 1 101 PHE QE . . 4.750 2.317 1.986 2.821 . 0 0 "[ . 1 . 2]" 1
1063 1 55 LYS QE 1 101 PHE HZ . . 4.020 3.795 2.996 3.999 . 0 0 "[ . 1 . 2]" 1
1064 1 55 LYS QE 1 123 MET ME . . 3.510 2.916 2.666 3.142 . 0 0 "[ . 1 . 2]" 1
1065 1 55 LYS HG2 1 56 ALA H . . 5.500 5.150 4.189 5.705 0.205 6 0 "[ . 1 . 2]" 1
1066 1 55 LYS HG3 1 101 PHE QE . . 4.290 3.912 2.017 4.894 0.604 4 1 "[ +. 1 . 2]" 1
1067 1 56 ALA H 1 56 ALA MB . . 2.670 2.201 2.068 2.295 . 0 0 "[ . 1 . 2]" 1
1068 1 56 ALA H 1 57 THR H . . 3.620 2.025 1.901 2.166 . 0 0 "[ . 1 . 2]" 1
1069 1 56 ALA H 1 57 THR HA . . 4.690 4.529 4.387 4.770 0.080 16 0 "[ . 1 . 2]" 1
1070 1 56 ALA H 1 57 THR MG . . 4.250 4.229 3.960 4.351 0.101 16 0 "[ . 1 . 2]" 1
1071 1 56 ALA MB 1 57 THR H . . 3.350 3.245 3.030 3.396 0.046 3 0 "[ . 1 . 2]" 1
1072 1 56 ALA MB 1 58 GLY H . . 4.910 4.509 4.291 4.760 . 0 0 "[ . 1 . 2]" 1
1073 1 57 THR H 1 57 THR HB . . 3.790 2.155 2.073 2.272 . 0 0 "[ . 1 . 2]" 1
1074 1 57 THR H 1 57 THR MG . . 3.020 2.693 2.461 2.817 . 0 0 "[ . 1 . 2]" 1
1075 1 57 THR H 1 58 GLY H . . 3.470 2.501 2.405 2.582 . 0 0 "[ . 1 . 2]" 1
1076 1 57 THR H 1 59 LYS H . . 4.920 4.465 4.201 4.788 . 0 0 "[ . 1 . 2]" 1
1077 1 57 THR HA 1 57 THR MG . . 2.980 3.150 3.097 3.200 0.220 10 0 "[ . 1 . 2]" 1
1078 1 57 THR HA 1 58 GLY H . . 3.610 3.496 3.430 3.571 . 0 0 "[ . 1 . 2]" 1
1079 1 57 THR HB 1 58 GLY H . . 3.850 3.882 3.760 3.944 0.094 14 0 "[ . 1 . 2]" 1
1080 1 57 THR MG 1 58 GLY H . . 3.960 2.489 2.120 2.929 . 0 0 "[ . 1 . 2]" 1
1081 1 57 THR MG 1 59 LYS H . . 3.510 2.399 1.759 2.737 . 0 0 "[ . 1 . 2]" 1
1082 1 57 THR MG 1 59 LYS HB2 . . 4.050 1.889 1.834 2.037 . 0 0 "[ . 1 . 2]" 1
1083 1 57 THR MG 1 59 LYS HB3 . . 3.790 2.894 2.130 3.243 . 0 0 "[ . 1 . 2]" 1
1084 1 57 THR MG 1 59 LYS QE . . 4.430 3.481 2.453 4.248 . 0 0 "[ . 1 . 2]" 1
1085 1 58 GLY H 1 59 LYS HB2 . . 4.960 4.403 4.070 5.038 0.078 4 0 "[ . 1 . 2]" 1
1086 1 59 LYS H 1 59 LYS HB2 . . 3.440 2.677 2.282 3.016 . 0 0 "[ . 1 . 2]" 1
1087 1 59 LYS H 1 59 LYS HB3 . . 3.350 3.041 2.571 3.477 0.127 19 0 "[ . 1 . 2]" 1
1088 1 59 LYS H 1 60 LYS H . . 4.250 3.855 1.908 4.311 0.061 12 0 "[ . 1 . 2]" 1
1089 1 59 LYS HA 1 59 LYS QG . . 3.210 2.108 1.967 2.429 . 0 0 "[ . 1 . 2]" 1
1090 1 59 LYS HB2 1 59 LYS QE . . 4.430 3.292 2.164 3.956 . 0 0 "[ . 1 . 2]" 1
1091 1 59 LYS HB3 1 60 LYS H . . 3.650 2.084 1.925 2.843 . 0 0 "[ . 1 . 2]" 1
1092 1 59 LYS QD 1 60 LYS H . . 4.000 3.123 1.872 4.100 0.100 9 0 "[ . 1 . 2]" 1
1093 1 59 LYS QE 1 59 LYS QG . . 3.250 2.198 2.007 2.905 . 0 0 "[ . 1 . 2]" 1
1094 1 59 LYS QE 1 60 LYS H . . 4.600 4.007 2.678 4.670 0.070 9 0 "[ . 1 . 2]" 1
1095 1 59 LYS QG 1 60 LYS H . . 3.800 2.699 1.971 3.979 0.179 9 0 "[ . 1 . 2]" 1
1096 1 60 LYS H 1 60 LYS HA . . 2.900 2.785 2.213 2.917 0.017 12 0 "[ . 1 . 2]" 1
1097 1 60 LYS H 1 60 LYS QB . . 2.880 3.056 2.623 3.358 0.478 3 0 "[ . 1 . 2]" 1
1098 1 60 LYS H 1 60 LYS QG . . 3.550 2.917 2.384 3.757 0.207 10 0 "[ . 1 . 2]" 1
1099 1 60 LYS HA 1 60 LYS QG . . 3.350 2.843 1.929 3.398 0.048 3 0 "[ . 1 . 2]" 1
1100 1 60 LYS HA 1 61 ALA H . . 2.890 2.545 2.313 2.836 . 0 0 "[ . 1 . 2]" 1
1101 1 60 LYS HA 1 61 ALA MB . . 3.750 3.836 3.800 3.896 0.146 4 0 "[ . 1 . 2]" 1
1102 1 60 LYS QB 1 61 ALA H . . 3.720 2.444 2.055 2.886 . 0 0 "[ . 1 . 2]" 1
1103 1 60 LYS QG 1 61 ALA H . . 4.240 3.361 2.215 4.073 . 0 0 "[ . 1 . 2]" 1
1104 1 61 ALA H 1 61 ALA MB . . 2.880 2.276 2.016 2.394 . 0 0 "[ . 1 . 2]" 1
1105 1 61 ALA H 1 62 VAL H . . 4.540 4.521 4.461 4.621 0.081 3 0 "[ . 1 . 2]" 1
1106 1 61 ALA HA 1 62 VAL H . . 3.060 2.327 2.201 2.559 . 0 0 "[ . 1 . 2]" 1
1107 1 61 ALA HA 1 62 VAL HB . . 4.580 4.353 4.285 4.453 . 0 0 "[ . 1 . 2]" 1
1108 1 61 ALA MB 1 62 VAL H . . 3.150 2.908 2.501 3.230 0.080 16 0 "[ . 1 . 2]" 1
1109 1 61 ALA MB 1 123 MET H . . 4.990 3.881 3.619 4.425 . 0 0 "[ . 1 . 2]" 1
1110 1 61 ALA MB 1 123 MET HB2 . . 4.770 3.037 2.768 3.769 . 0 0 "[ . 1 . 2]" 1
1111 1 61 ALA MB 1 123 MET HB3 . . 4.820 3.884 3.508 4.866 0.046 18 0 "[ . 1 . 2]" 1
1112 1 61 ALA MB 1 123 MET HG2 . . 4.900 4.943 4.760 5.008 0.108 20 0 "[ . 1 . 2]" 1
1113 1 61 ALA MB 1 123 MET HG3 . . 4.680 3.903 3.697 4.653 . 0 0 "[ . 1 . 2]" 1
1114 1 62 VAL H 1 62 VAL HB . . 3.360 2.298 2.182 2.509 . 0 0 "[ . 1 . 2]" 1
1115 1 62 VAL H 1 62 VAL QG . . 2.980 2.764 2.641 2.938 . 0 0 "[ . 1 . 2]" 1
1116 1 62 VAL H 1 63 LYS H . . 4.840 4.557 4.467 4.615 . 0 0 "[ . 1 . 2]" 1
1117 1 62 VAL HA 1 62 VAL QG . . 2.770 2.108 2.040 2.158 . 0 0 "[ . 1 . 2]" 1
1118 1 62 VAL HA 1 63 LYS H . . 2.940 2.393 2.252 2.440 . 0 0 "[ . 1 . 2]" 1
1119 1 62 VAL HA 1 63 LYS HB2 . . 4.430 4.465 4.340 4.530 0.100 20 0 "[ . 1 . 2]" 1
1120 1 62 VAL HA 1 63 LYS HG2 . . 4.550 4.306 4.156 4.555 0.005 13 0 "[ . 1 . 2]" 1
1121 1 62 VAL HB 1 63 LYS H . . 4.120 3.981 3.890 4.198 0.078 1 0 "[ . 1 . 2]" 1
1122 1 62 VAL HB 1 84 ILE MD . . 4.320 4.234 3.969 4.364 0.044 17 0 "[ . 1 . 2]" 1
1123 1 62 VAL QG 1 63 LYS H . . 3.190 1.947 1.884 2.166 . 0 0 "[ . 1 . 2]" 1
1124 1 62 VAL QG 1 63 LYS HA . . 4.070 3.607 3.492 3.774 . 0 0 "[ . 1 . 2]" 1
1125 1 62 VAL QG 1 63 LYS HB2 . . 4.050 3.636 3.514 3.771 . 0 0 "[ . 1 . 2]" 1
1126 1 62 VAL QG 1 63 LYS HB3 . . 4.470 4.490 4.386 4.650 0.180 1 0 "[ . 1 . 2]" 1
1127 1 62 VAL QG 1 64 ALA H . . 4.630 3.661 3.388 3.901 . 0 0 "[ . 1 . 2]" 1
1128 1 62 VAL QG 1 64 ALA HA . . 4.290 4.107 3.961 4.257 . 0 0 "[ . 1 . 2]" 1
1129 1 63 LYS H 1 63 LYS HB2 . . 3.500 2.305 2.245 2.362 . 0 0 "[ . 1 . 2]" 1
1130 1 63 LYS H 1 63 LYS HB3 . . 3.300 3.547 3.485 3.589 0.289 2 0 "[ . 1 . 2]" 1
1131 1 63 LYS H 1 63 LYS HE2 . . 5.450 5.183 4.638 5.921 0.471 16 0 "[ . 1 . 2]" 1
1132 1 63 LYS H 1 63 LYS HG2 . . 3.690 3.323 3.167 3.508 . 0 0 "[ . 1 . 2]" 1
1133 1 63 LYS H 1 63 LYS HG3 . . 3.920 3.367 3.038 3.854 . 0 0 "[ . 1 . 2]" 1
1134 1 63 LYS H 1 64 ALA H . . 4.740 4.243 4.100 4.353 . 0 0 "[ . 1 . 2]" 1
1135 1 63 LYS H 1 84 ILE MD . . 5.490 5.423 5.385 5.466 . 0 0 "[ . 1 . 2]" 1
1136 1 63 LYS HA 1 63 LYS HG2 . . 4.040 2.187 2.096 2.271 . 0 0 "[ . 1 . 2]" 1
1137 1 63 LYS HA 1 63 LYS HG3 . . 3.700 3.456 3.363 3.536 . 0 0 "[ . 1 . 2]" 1
1138 1 63 LYS HA 1 64 ALA H . . 3.290 2.207 2.186 2.246 . 0 0 "[ . 1 . 2]" 1
1139 1 63 LYS HB2 1 63 LYS HE2 . . 4.500 4.063 3.595 5.025 0.525 16 1 "[ . 1 .+ 2]" 1
1140 1 63 LYS HB2 1 63 LYS HE3 . . 4.640 4.722 4.566 5.004 0.364 4 0 "[ . 1 . 2]" 1
1141 1 63 LYS HB2 1 64 ALA H . . 4.610 4.615 4.579 4.659 0.049 5 0 "[ . 1 . 2]" 1
1142 1 63 LYS HB3 1 63 LYS HE2 . . 4.560 2.706 2.057 4.045 . 0 0 "[ . 1 . 2]" 1
1143 1 63 LYS HB3 1 64 ALA H . . 4.300 3.916 3.819 4.053 . 0 0 "[ . 1 . 2]" 1
1144 1 63 LYS HE2 1 63 LYS HG2 . . 3.850 2.757 2.415 3.001 . 0 0 "[ . 1 . 2]" 1
1145 1 63 LYS HE2 1 125 VAL MG1 . . 3.990 3.624 2.996 4.066 0.076 15 0 "[ . 1 . 2]" 1
1146 1 63 LYS HE2 1 125 VAL MG2 . . 3.690 2.578 1.943 3.056 . 0 0 "[ . 1 . 2]" 1
1147 1 63 LYS HE3 1 63 LYS HG2 . . 3.000 2.444 2.044 2.878 . 0 0 "[ . 1 . 2]" 1
1148 1 63 LYS HE3 1 125 VAL HA . . 4.590 4.723 4.650 5.159 0.569 5 2 "[ + 1 .- 2]" 1
1149 1 63 LYS HE3 1 125 VAL MG1 . . 4.510 3.364 2.854 4.072 . 0 0 "[ . 1 . 2]" 1
1150 1 63 LYS HE3 1 125 VAL MG2 . . 3.450 2.433 2.043 3.082 . 0 0 "[ . 1 . 2]" 1
1151 1 63 LYS HG2 1 64 ALA H . . 4.430 4.368 4.198 4.464 0.034 5 0 "[ . 1 . 2]" 1
1152 1 64 ALA H 1 64 ALA MB . . 3.300 2.580 2.492 2.606 . 0 0 "[ . 1 . 2]" 1
1153 1 64 ALA H 1 65 VAL H . . 5.320 4.398 4.390 4.424 . 0 0 "[ . 1 . 2]" 1
1154 1 64 ALA H 1 75 VAL MG1 . . 5.500 5.070 4.944 5.190 . 0 0 "[ . 1 . 2]" 1
1155 1 64 ALA H 1 78 GLU H . . 5.500 4.844 4.773 4.921 . 0 0 "[ . 1 . 2]" 1
1156 1 64 ALA HA 1 65 VAL H . . 3.440 2.516 2.509 2.529 . 0 0 "[ . 1 . 2]" 1
1157 1 64 ALA HA 1 65 VAL HB . . 4.630 4.608 4.531 4.751 0.121 17 0 "[ . 1 . 2]" 1
1158 1 64 ALA HA 1 65 VAL MG2 . . 4.040 3.360 3.144 3.464 . 0 0 "[ . 1 . 2]" 1
1159 1 64 ALA HA 1 75 VAL MG1 . . 4.930 5.004 4.964 5.041 0.111 20 0 "[ . 1 . 2]" 1
1160 1 64 ALA HA 1 77 ASP HA . . 3.770 3.300 3.108 3.408 . 0 0 "[ . 1 . 2]" 1
1161 1 64 ALA HA 1 78 GLU H . . 3.460 2.001 1.937 2.089 . 0 0 "[ . 1 . 2]" 1
1162 1 64 ALA HA 1 78 GLU HA . . 4.280 4.066 3.995 4.202 . 0 0 "[ . 1 . 2]" 1
1163 1 64 ALA HA 1 78 GLU HB2 . . 4.160 3.010 2.906 4.373 0.213 17 0 "[ . 1 . 2]" 1
1164 1 64 ALA HA 1 78 GLU HB3 . . 4.030 4.240 3.094 4.322 0.292 20 0 "[ . 1 . 2]" 1
1165 1 64 ALA HA 1 78 GLU QG . . 4.090 1.981 1.967 2.088 . 0 0 "[ . 1 . 2]" 1
1166 1 64 ALA HA 1 84 ILE MD . . 4.300 3.806 3.711 3.871 . 0 0 "[ . 1 . 2]" 1
1167 1 64 ALA MB 1 65 VAL H . . 2.980 2.504 2.483 2.516 . 0 0 "[ . 1 . 2]" 1
1168 1 64 ALA MB 1 65 VAL HA . . 4.760 4.098 4.082 4.121 . 0 0 "[ . 1 . 2]" 1
1169 1 64 ALA MB 1 65 VAL HB . . 4.680 4.494 4.453 4.564 . 0 0 "[ . 1 . 2]" 1
1170 1 64 ALA MB 1 75 VAL HA . . 4.110 3.955 3.871 4.077 . 0 0 "[ . 1 . 2]" 1
1171 1 64 ALA MB 1 75 VAL MG1 . . 2.840 2.502 2.457 2.546 . 0 0 "[ . 1 . 2]" 1
1172 1 64 ALA MB 1 76 VAL H . . 3.750 3.766 3.677 3.824 0.074 12 0 "[ . 1 . 2]" 1
1173 1 64 ALA MB 1 77 ASP HA . . 3.500 2.014 1.951 2.073 . 0 0 "[ . 1 . 2]" 1
1174 1 64 ALA MB 1 78 GLU H . . 3.460 2.655 2.577 2.772 . 0 0 "[ . 1 . 2]" 1
1175 1 64 ALA MB 1 78 GLU QG . . 3.920 3.534 3.303 3.565 . 0 0 "[ . 1 . 2]" 1
1176 1 64 ALA MB 1 84 ILE MD . . 3.120 1.878 1.816 1.922 . 0 0 "[ . 1 . 2]" 1
1177 1 65 VAL H 1 65 VAL HB . . 3.590 2.388 2.342 2.496 . 0 0 "[ . 1 . 2]" 1
1178 1 65 VAL H 1 65 VAL MG1 . . 3.990 3.729 3.692 3.786 . 0 0 "[ . 1 . 2]" 1
1179 1 65 VAL H 1 65 VAL MG2 . . 3.330 2.634 2.393 2.741 . 0 0 "[ . 1 . 2]" 1
1180 1 65 VAL H 1 66 LEU H . . 4.670 4.444 4.390 4.510 . 0 0 "[ . 1 . 2]" 1
1181 1 65 VAL H 1 67 TRP HD1 . . 4.840 4.583 4.495 4.783 . 0 0 "[ . 1 . 2]" 1
1182 1 65 VAL H 1 67 TRP HE1 . . 5.350 4.109 3.945 4.455 . 0 0 "[ . 1 . 2]" 1
1183 1 65 VAL H 1 75 VAL HA . . 5.030 5.019 4.992 5.039 0.009 8 0 "[ . 1 . 2]" 1
1184 1 65 VAL H 1 75 VAL MG1 . . 4.700 4.495 4.357 4.572 . 0 0 "[ . 1 . 2]" 1
1185 1 65 VAL H 1 76 VAL H . . 3.990 3.735 3.619 3.828 . 0 0 "[ . 1 . 2]" 1
1186 1 65 VAL H 1 78 GLU H . . 4.700 3.164 2.881 3.267 . 0 0 "[ . 1 . 2]" 1
1187 1 65 VAL H 1 78 GLU QG . . 4.670 2.904 2.772 3.938 . 0 0 "[ . 1 . 2]" 1
1188 1 65 VAL HA 1 65 VAL MG1 . . 3.330 2.444 2.283 2.545 . 0 0 "[ . 1 . 2]" 1
1189 1 65 VAL HA 1 65 VAL MG2 . . 3.200 2.396 2.357 2.485 . 0 0 "[ . 1 . 2]" 1
1190 1 65 VAL HA 1 66 LEU H . . 3.550 2.195 2.183 2.228 . 0 0 "[ . 1 . 2]" 1
1191 1 65 VAL HA 1 66 LEU HB2 . . 4.940 4.709 4.637 4.914 . 0 0 "[ . 1 . 2]" 1
1192 1 65 VAL HB 1 66 LEU H . . 5.010 4.340 4.246 4.423 . 0 0 "[ . 1 . 2]" 1
1193 1 65 VAL HB 1 67 TRP HD1 . . 4.110 3.661 3.277 3.974 . 0 0 "[ . 1 . 2]" 1
1194 1 65 VAL HB 1 67 TRP HE1 . . 3.740 2.293 2.140 2.459 . 0 0 "[ . 1 . 2]" 1
1195 1 65 VAL HB 1 67 TRP HZ2 . . 4.930 4.342 4.093 4.754 . 0 0 "[ . 1 . 2]" 1
1196 1 65 VAL HB 1 76 VAL H . . 4.400 4.161 4.018 4.320 . 0 0 "[ . 1 . 2]" 1
1197 1 65 VAL MG1 1 66 LEU H . . 3.470 2.631 2.342 2.929 . 0 0 "[ . 1 . 2]" 1
1198 1 65 VAL MG1 1 67 TRP HD1 . . 3.720 3.087 2.760 3.557 . 0 0 "[ . 1 . 2]" 1
1199 1 65 VAL MG1 1 67 TRP HE1 . . 3.400 2.476 2.246 2.959 . 0 0 "[ . 1 . 2]" 1
1200 1 65 VAL MG1 1 67 TRP HZ2 . . 4.050 3.455 3.108 3.880 . 0 0 "[ . 1 . 2]" 1
1201 1 65 VAL MG2 1 66 LEU H . . 4.020 4.052 3.944 4.194 0.174 17 0 "[ . 1 . 2]" 1
1202 1 65 VAL MG2 1 67 TRP HE1 . . 4.040 3.715 3.530 3.922 . 0 0 "[ . 1 . 2]" 1
1203 1 65 VAL MG2 1 78 GLU H . . 4.290 3.920 3.295 4.066 . 0 0 "[ . 1 . 2]" 1
1204 1 65 VAL MG2 1 78 GLU HA . . 3.640 3.493 3.048 3.624 . 0 0 "[ . 1 . 2]" 1
1205 1 65 VAL MG2 1 78 GLU HB2 . . 4.190 4.179 3.583 4.260 0.070 12 0 "[ . 1 . 2]" 1
1206 1 65 VAL MG2 1 78 GLU HB3 . . 4.160 4.049 2.166 4.221 0.061 8 0 "[ . 1 . 2]" 1
1207 1 65 VAL MG2 1 78 GLU QG . . 3.290 1.917 1.787 3.354 0.064 17 0 "[ . 1 . 2]" 1
1208 1 66 LEU H 1 66 LEU HB2 . . 4.050 2.943 2.885 3.082 . 0 0 "[ . 1 . 2]" 1
1209 1 66 LEU H 1 66 LEU MD1 . . 4.980 4.179 4.154 4.218 . 0 0 "[ . 1 . 2]" 1
1210 1 66 LEU H 1 66 LEU MD2 . . 4.420 4.250 4.129 4.291 . 0 0 "[ . 1 . 2]" 1
1211 1 66 LEU H 1 66 LEU HG . . 4.760 4.136 3.921 4.208 . 0 0 "[ . 1 . 2]" 1
1212 1 66 LEU H 1 67 TRP H . . 5.470 4.432 4.396 4.524 . 0 0 "[ . 1 . 2]" 1
1213 1 66 LEU HA 1 66 LEU MD1 . . 3.180 2.051 1.970 2.280 . 0 0 "[ . 1 . 2]" 1
1214 1 66 LEU HA 1 66 LEU MD2 . . 4.190 3.884 3.849 3.974 . 0 0 "[ . 1 . 2]" 1
1215 1 66 LEU HA 1 67 TRP H . . 3.260 2.178 2.176 2.190 . 0 0 "[ . 1 . 2]" 1
1216 1 66 LEU HA 1 67 TRP HD1 . . 4.170 3.371 3.267 3.459 . 0 0 "[ . 1 . 2]" 1
1217 1 66 LEU HA 1 68 VAL MG2 . . 4.940 4.795 4.702 4.939 . 0 0 "[ . 1 . 2]" 1
1218 1 66 LEU HB2 1 66 LEU MD1 . . 3.570 2.539 2.481 2.570 . 0 0 "[ . 1 . 2]" 1
1219 1 66 LEU HB2 1 66 LEU MD2 . . 3.420 2.342 2.229 2.410 . 0 0 "[ . 1 . 2]" 1
1220 1 66 LEU HB2 1 132 LEU MD2 . . 4.410 4.362 4.115 4.615 0.205 19 0 "[ . 1 . 2]" 1
1221 1 66 LEU HB3 1 66 LEU MD2 . . 3.420 2.384 2.298 2.451 . 0 0 "[ . 1 . 2]" 1
1222 1 66 LEU HB3 1 67 TRP H . . 4.940 4.526 4.485 4.552 . 0 0 "[ . 1 . 2]" 1
1223 1 66 LEU MD1 1 67 TRP H . . 3.450 2.191 1.976 2.287 . 0 0 "[ . 1 . 2]" 1
1224 1 66 LEU MD1 1 67 TRP HB2 . . 4.920 4.090 3.991 4.158 . 0 0 "[ . 1 . 2]" 1
1225 1 66 LEU MD1 1 67 TRP HD1 . . 4.240 4.325 4.285 4.373 0.133 12 0 "[ . 1 . 2]" 1
1226 1 66 LEU MD1 1 73 LEU HA . . 4.190 3.749 3.617 3.876 . 0 0 "[ . 1 . 2]" 1
1227 1 66 LEU MD1 1 73 LEU HB2 . . 3.800 3.240 3.086 3.415 . 0 0 "[ . 1 . 2]" 1
1228 1 66 LEU MD1 1 74 ARG H . . 3.870 2.720 2.524 2.804 . 0 0 "[ . 1 . 2]" 1
1229 1 66 LEU MD1 1 74 ARG QB . . 4.440 4.474 4.255 4.528 0.088 6 0 "[ . 1 . 2]" 1
1230 1 66 LEU MD1 1 105 PHE QE . . 4.490 4.036 3.616 4.334 . 0 0 "[ . 1 . 2]" 1
1231 1 66 LEU MD1 1 122 PHE QE . . 3.850 3.278 2.953 3.778 . 0 0 "[ . 1 . 2]" 1
1232 1 66 LEU MD1 1 122 PHE HZ . . 3.990 4.019 3.902 4.044 0.054 7 0 "[ . 1 . 2]" 1
1233 1 66 LEU MD2 1 67 TRP H . . 4.760 4.833 4.687 4.894 0.134 8 0 "[ . 1 . 2]" 1
1234 1 66 LEU MD2 1 68 VAL MG2 . . 3.380 3.232 3.005 3.375 . 0 0 "[ . 1 . 2]" 1
1235 1 66 LEU MD2 1 105 PHE QE . . 3.690 2.565 2.011 3.213 . 0 0 "[ . 1 . 2]" 1
1236 1 66 LEU MD2 1 132 LEU HA . . 4.310 4.316 4.176 4.397 0.087 18 0 "[ . 1 . 2]" 1
1237 1 66 LEU HG 1 67 TRP H . . 4.790 3.889 3.728 4.009 . 0 0 "[ . 1 . 2]" 1
1238 1 66 LEU HG 1 132 LEU MD2 . . 4.670 4.137 3.917 4.441 . 0 0 "[ . 1 . 2]" 1
1239 1 67 TRP H 1 67 TRP HB2 . . 4.160 2.438 2.377 2.518 . 0 0 "[ . 1 . 2]" 1
1240 1 67 TRP H 1 67 TRP HD1 . . 4.330 2.513 2.375 2.705 . 0 0 "[ . 1 . 2]" 1
1241 1 67 TRP H 1 67 TRP HE3 . . 5.500 5.587 5.557 5.650 0.150 17 0 "[ . 1 . 2]" 1
1242 1 67 TRP H 1 68 VAL H . . 5.340 4.555 4.502 4.572 . 0 0 "[ . 1 . 2]" 1
1243 1 67 TRP H 1 73 LEU HA . . 5.410 4.865 4.548 5.114 . 0 0 "[ . 1 . 2]" 1
1244 1 67 TRP H 1 74 ARG H . . 4.320 2.825 2.634 2.941 . 0 0 "[ . 1 . 2]" 1
1245 1 67 TRP H 1 74 ARG QB . . 4.740 3.559 3.423 3.623 . 0 0 "[ . 1 . 2]" 1
1246 1 67 TRP H 1 75 VAL MG2 . . 4.490 4.191 3.935 4.374 . 0 0 "[ . 1 . 2]" 1
1247 1 67 TRP HB2 1 74 ARG H . . 4.520 3.060 2.952 3.216 . 0 0 "[ . 1 . 2]" 1
1248 1 67 TRP HB2 1 74 ARG QB . . 3.910 1.944 1.914 1.973 . 0 0 "[ . 1 . 2]" 1
1249 1 67 TRP HB2 1 76 VAL MG2 . . 4.290 3.895 3.692 4.013 . 0 0 "[ . 1 . 2]" 1
1250 1 67 TRP HB3 1 67 TRP HE3 . . 3.890 2.362 2.336 2.395 . 0 0 "[ . 1 . 2]" 1
1251 1 67 TRP HB3 1 68 VAL H . . 4.550 2.934 2.712 3.031 . 0 0 "[ . 1 . 2]" 1
1252 1 67 TRP HB3 1 74 ARG H . . 4.640 4.352 4.183 4.494 . 0 0 "[ . 1 . 2]" 1
1253 1 67 TRP HB3 1 74 ARG QB . . 4.150 3.108 2.925 3.292 . 0 0 "[ . 1 . 2]" 1
1254 1 67 TRP HB3 1 74 ARG QG . . 4.580 4.694 4.641 4.724 0.144 13 0 "[ . 1 . 2]" 1
1255 1 67 TRP HD1 1 74 ARG H . . 5.070 4.778 4.554 5.121 0.051 17 0 "[ . 1 . 2]" 1
1256 1 67 TRP HD1 1 74 ARG QB . . 4.050 3.722 3.465 4.027 . 0 0 "[ . 1 . 2]" 1
1257 1 67 TRP HD1 1 76 VAL H . . 4.440 2.438 2.312 2.731 . 0 0 "[ . 1 . 2]" 1
1258 1 67 TRP HD1 1 76 VAL HB . . 4.020 2.392 2.287 2.491 . 0 0 "[ . 1 . 2]" 1
1259 1 67 TRP HD1 1 76 VAL MG1 . . 3.990 4.004 3.938 4.046 0.056 2 0 "[ . 1 . 2]" 1
1260 1 67 TRP HD1 1 76 VAL MG2 . . 3.100 2.928 2.754 3.175 0.075 17 0 "[ . 1 . 2]" 1
1261 1 67 TRP HE1 1 76 VAL H . . 5.330 3.833 3.704 4.333 . 0 0 "[ . 1 . 2]" 1
1262 1 67 TRP HE1 1 76 VAL HB . . 4.170 2.041 1.943 2.608 . 0 0 "[ . 1 . 2]" 1
1263 1 67 TRP HE1 1 76 VAL MG1 . . 4.210 2.583 2.489 2.896 . 0 0 "[ . 1 . 2]" 1
1264 1 67 TRP HE1 1 76 VAL MG2 . . 3.350 2.743 2.521 3.270 . 0 0 "[ . 1 . 2]" 1
1265 1 67 TRP HE3 1 68 VAL H . . 5.280 3.982 3.829 4.124 . 0 0 "[ . 1 . 2]" 1
1266 1 67 TRP HZ2 1 76 VAL MG2 . . 4.650 4.081 3.937 4.539 . 0 0 "[ . 1 . 2]" 1
1267 1 68 VAL H 1 68 VAL HB . . 3.870 2.770 2.640 2.862 . 0 0 "[ . 1 . 2]" 1
1268 1 68 VAL H 1 68 VAL MG1 . . 4.240 3.901 3.837 3.940 . 0 0 "[ . 1 . 2]" 1
1269 1 68 VAL H 1 68 VAL MG2 . . 3.670 2.734 2.555 2.918 . 0 0 "[ . 1 . 2]" 1
1270 1 68 VAL H 1 69 SER H . . 5.440 4.263 4.171 4.336 . 0 0 "[ . 1 . 2]" 1
1271 1 68 VAL H 1 69 SER HA . . 5.500 4.808 4.728 4.863 . 0 0 "[ . 1 . 2]" 1
1272 1 68 VAL HA 1 68 VAL MG1 . . 3.250 2.259 2.148 2.415 . 0 0 "[ . 1 . 2]" 1
1273 1 68 VAL HA 1 68 VAL MG2 . . 3.460 2.438 2.299 2.551 . 0 0 "[ . 1 . 2]" 1
1274 1 68 VAL HA 1 69 SER H . . 3.350 2.191 2.183 2.207 . 0 0 "[ . 1 . 2]" 1
1275 1 68 VAL HA 1 73 LEU HA . . 4.120 2.376 2.045 2.541 . 0 0 "[ . 1 . 2]" 1
1276 1 68 VAL HA 1 73 LEU HB3 . . 3.550 3.404 3.259 3.553 0.003 7 0 "[ . 1 . 2]" 1
1277 1 68 VAL HA 1 73 LEU QD . . 3.290 2.284 2.094 2.447 . 0 0 "[ . 1 . 2]" 1
1278 1 68 VAL HA 1 74 ARG H . . 4.950 4.005 3.596 4.223 . 0 0 "[ . 1 . 2]" 1
1279 1 68 VAL HA 1 139 ALA MB . . 4.600 4.253 4.082 4.491 . 0 0 "[ . 1 . 2]" 1
1280 1 68 VAL HB 1 73 LEU QD . . 4.020 4.029 3.735 4.095 0.075 20 0 "[ . 1 . 2]" 1
1281 1 68 VAL HB 1 139 ALA MB . . 4.590 4.398 4.109 4.600 0.010 8 0 "[ . 1 . 2]" 1
1282 1 68 VAL MG1 1 69 SER H . . 3.530 2.722 2.387 2.937 . 0 0 "[ . 1 . 2]" 1
1283 1 68 VAL MG1 1 69 SER HA . . 3.870 3.793 3.522 3.939 0.069 5 0 "[ . 1 . 2]" 1
1284 1 68 VAL MG1 1 135 ALA H . . 4.910 4.603 4.326 4.754 . 0 0 "[ . 1 . 2]" 1
1285 1 68 VAL MG1 1 135 ALA MB . . 3.200 2.192 1.809 2.531 . 0 0 "[ . 1 . 2]" 1
1286 1 68 VAL MG1 1 139 ALA H . . 3.490 3.055 2.729 3.351 . 0 0 "[ . 1 . 2]" 1
1287 1 68 VAL MG2 1 135 ALA MB . . 3.370 2.017 1.734 2.418 . 0 0 "[ . 1 . 2]" 1
1288 1 68 VAL MG2 1 136 VAL HA . . 4.190 3.825 3.332 4.273 0.083 8 0 "[ . 1 . 2]" 1
1289 1 69 SER H 1 72 GLY H . . 3.920 3.183 3.068 3.310 . 0 0 "[ . 1 . 2]" 1
1290 1 69 SER H 1 73 LEU QD . . 3.680 3.221 3.044 3.476 . 0 0 "[ . 1 . 2]" 1
1291 1 69 SER H 1 139 ALA MB . . 4.390 3.233 2.974 3.450 . 0 0 "[ . 1 . 2]" 1
1292 1 69 SER HA 1 70 ALA H . . 3.510 2.475 2.404 2.533 . 0 0 "[ . 1 . 2]" 1
1293 1 69 SER HA 1 70 ALA MB . . 4.140 4.127 4.081 4.167 0.027 17 0 "[ . 1 . 2]" 1
1294 1 69 SER HA 1 71 ASP H . . 4.710 4.064 3.888 4.247 . 0 0 "[ . 1 . 2]" 1
1295 1 69 SER HA 1 72 GLY H . . 5.210 4.373 4.315 4.482 . 0 0 "[ . 1 . 2]" 1
1296 1 69 SER HA 1 139 ALA MB . . 4.100 3.192 2.912 3.587 . 0 0 "[ . 1 . 2]" 1
1297 1 69 SER HB2 1 70 ALA H . . 3.580 3.641 3.521 3.756 0.176 15 0 "[ . 1 . 2]" 1
1298 1 69 SER HB2 1 70 ALA MB . . 5.000 4.810 4.673 4.916 . 0 0 "[ . 1 . 2]" 1
1299 1 69 SER HB2 1 71 ASP H . . 4.250 2.782 2.564 3.027 . 0 0 "[ . 1 . 2]" 1
1300 1 69 SER HB2 1 72 GLY H . . 4.490 3.175 3.000 3.430 . 0 0 "[ . 1 . 2]" 1
1301 1 69 SER HB3 1 70 ALA H . . 3.650 2.549 2.407 2.730 . 0 0 "[ . 1 . 2]" 1
1302 1 69 SER HB3 1 70 ALA MB . . 4.610 3.957 3.824 4.115 . 0 0 "[ . 1 . 2]" 1
1303 1 69 SER HB3 1 71 ASP H . . 4.210 2.683 2.526 2.885 . 0 0 "[ . 1 . 2]" 1
1304 1 69 SER HB3 1 72 GLY H . . 4.760 4.075 3.904 4.319 . 0 0 "[ . 1 . 2]" 1
1305 1 70 ALA H 1 70 ALA MB . . 2.930 2.105 2.079 2.127 . 0 0 "[ . 1 . 2]" 1
1306 1 70 ALA H 1 71 ASP H . . 4.030 2.700 2.666 2.753 . 0 0 "[ . 1 . 2]" 1
1307 1 70 ALA H 1 72 GLY H . . 4.720 3.976 3.943 4.030 . 0 0 "[ . 1 . 2]" 1
1308 1 70 ALA HA 1 72 GLY H . . 4.220 3.516 3.392 3.651 . 0 0 "[ . 1 . 2]" 1
1309 1 70 ALA HA 1 89 ILE MD . . 4.310 4.159 3.752 4.387 0.077 3 0 "[ . 1 . 2]" 1
1310 1 70 ALA HA 1 89 ILE MG . . 4.670 3.860 3.638 4.164 . 0 0 "[ . 1 . 2]" 1
1311 1 70 ALA HA 1 139 ALA HA . . 3.950 2.665 2.161 3.169 . 0 0 "[ . 1 . 2]" 1
1312 1 70 ALA HA 1 139 ALA MB . . 3.430 2.117 1.965 2.326 . 0 0 "[ . 1 . 2]" 1
1313 1 70 ALA HA 1 143 CYS HB2 . . 4.600 3.198 3.008 3.381 . 0 0 "[ . 1 . 2]" 1
1314 1 70 ALA MB 1 71 ASP H . . 3.570 2.887 2.706 3.011 . 0 0 "[ . 1 . 2]" 1
1315 1 70 ALA MB 1 72 GLY H . . 4.300 4.231 4.201 4.257 . 0 0 "[ . 1 . 2]" 1
1316 1 70 ALA MB 1 143 CYS H . . 4.390 3.127 2.684 3.471 . 0 0 "[ . 1 . 2]" 1
1317 1 70 ALA MB 1 143 CYS HA . . 3.830 3.110 2.817 3.295 . 0 0 "[ . 1 . 2]" 1
1318 1 70 ALA MB 1 143 CYS HB2 . . 3.750 3.022 2.757 3.194 . 0 0 "[ . 1 . 2]" 1
1319 1 70 ALA MB 1 143 CYS HB3 . . 4.380 4.425 4.170 4.478 0.098 12 0 "[ . 1 . 2]" 1
1320 1 71 ASP H 1 71 ASP HB2 . . 3.790 2.207 2.037 2.730 . 0 0 "[ . 1 . 2]" 1
1321 1 71 ASP H 1 72 GLY H . . 3.250 2.494 2.424 2.571 . 0 0 "[ . 1 . 2]" 1
1322 1 71 ASP HB2 1 72 GLY H . . 4.540 3.654 3.162 4.343 . 0 0 "[ . 1 . 2]" 1
1323 1 71 ASP HB3 1 72 GLY H . . 4.260 3.727 3.256 4.178 . 0 0 "[ . 1 . 2]" 1
1324 1 72 GLY H 1 73 LEU H . . 4.990 4.363 4.212 4.472 . 0 0 "[ . 1 . 2]" 1
1325 1 72 GLY H 1 89 ILE HA . . 5.390 5.228 4.939 5.319 . 0 0 "[ . 1 . 2]" 1
1326 1 72 GLY H 1 89 ILE HB . . 4.460 3.098 2.793 3.289 . 0 0 "[ . 1 . 2]" 1
1327 1 72 GLY H 1 89 ILE MD . . 4.120 3.573 3.182 3.868 . 0 0 "[ . 1 . 2]" 1
1328 1 72 GLY H 1 89 ILE MG . . 4.650 4.116 3.869 4.366 . 0 0 "[ . 1 . 2]" 1
1329 1 72 GLY HA2 1 73 LEU QD . . 4.660 3.356 3.206 3.617 . 0 0 "[ . 1 . 2]" 1
1330 1 72 GLY HA2 1 89 ILE HB . . 3.760 1.989 1.976 2.022 . 0 0 "[ . 1 . 2]" 1
1331 1 72 GLY HA2 1 89 ILE MD . . 4.080 2.055 1.950 2.391 . 0 0 "[ . 1 . 2]" 1
1332 1 72 GLY HA3 1 73 LEU QD . . 4.560 4.037 3.882 4.151 . 0 0 "[ . 1 . 2]" 1
1333 1 72 GLY HA3 1 73 LEU HG . . 4.460 3.587 3.403 3.873 . 0 0 "[ . 1 . 2]" 1
1334 1 72 GLY HA3 1 89 ILE H . . 4.720 2.137 1.943 2.294 . 0 0 "[ . 1 . 2]" 1
1335 1 72 GLY HA3 1 89 ILE HB . . 3.710 3.234 3.133 3.334 . 0 0 "[ . 1 . 2]" 1
1336 1 72 GLY HA3 1 89 ILE MD . . 3.770 3.567 3.379 3.887 0.117 13 0 "[ . 1 . 2]" 1
1337 1 72 GLY HA3 1 89 ILE MG . . 4.340 4.348 4.300 4.446 0.106 16 0 "[ . 1 . 2]" 1
1338 1 73 LEU H 1 73 LEU HB2 . . 4.130 2.954 2.857 3.051 . 0 0 "[ . 1 . 2]" 1
1339 1 73 LEU H 1 73 LEU QD . . 4.270 3.241 3.089 3.348 . 0 0 "[ . 1 . 2]" 1
1340 1 73 LEU H 1 73 LEU HG . . 3.970 2.407 2.193 2.573 . 0 0 "[ . 1 . 2]" 1
1341 1 73 LEU H 1 87 GLN H . . 4.060 3.448 3.250 3.663 . 0 0 "[ . 1 . 2]" 1
1342 1 73 LEU H 1 87 GLN HB3 . . 4.690 2.921 2.375 3.165 . 0 0 "[ . 1 . 2]" 1
1343 1 73 LEU HA 1 73 LEU QD . . 3.290 2.469 2.256 2.572 . 0 0 "[ . 1 . 2]" 1
1344 1 73 LEU HA 1 74 ARG H . . 3.300 2.588 2.563 2.613 . 0 0 "[ . 1 . 2]" 1
1345 1 73 LEU HA 1 74 ARG QG . . 4.930 4.053 3.833 4.253 . 0 0 "[ . 1 . 2]" 1
1346 1 73 LEU HB2 1 74 ARG H . . 4.140 3.005 2.939 3.137 . 0 0 "[ . 1 . 2]" 1
1347 1 73 LEU HB2 1 87 GLN HB2 . . 4.100 3.797 3.016 4.103 0.003 6 0 "[ . 1 . 2]" 1
1348 1 73 LEU HB2 1 87 GLN HB3 . . 3.120 2.486 2.094 2.623 . 0 0 "[ . 1 . 2]" 1
1349 1 73 LEU HB3 1 74 ARG H . . 4.150 2.498 2.440 2.562 . 0 0 "[ . 1 . 2]" 1
1350 1 73 LEU HB3 1 87 GLN H . . 5.480 5.128 4.785 5.342 . 0 0 "[ . 1 . 2]" 1
1351 1 73 LEU HB3 1 87 GLN HB3 . . 4.490 4.185 3.817 4.328 . 0 0 "[ . 1 . 2]" 1
1352 1 73 LEU QD 1 74 ARG H . . 3.940 3.744 3.651 3.792 . 0 0 "[ . 1 . 2]" 1
1353 1 73 LEU QD 1 87 GLN H . . 4.310 4.400 4.165 4.635 0.325 11 0 "[ . 1 . 2]" 1
1354 1 73 LEU QD 1 87 GLN HB3 . . 3.540 2.515 2.306 2.756 . 0 0 "[ . 1 . 2]" 1
1355 1 73 LEU QD 1 89 ILE MD . . 3.740 2.515 2.296 2.828 . 0 0 "[ . 1 . 2]" 1
1356 1 73 LEU QD 1 92 VAL HB . . 4.730 4.526 4.463 4.603 . 0 0 "[ . 1 . 2]" 1
1357 1 73 LEU QD 1 92 VAL MG1 . . 4.360 3.527 3.385 3.655 . 0 0 "[ . 1 . 2]" 1
1358 1 73 LEU QD 1 92 VAL MG2 . . 3.450 2.484 2.395 2.617 . 0 0 "[ . 1 . 2]" 1
1359 1 73 LEU QD 1 105 PHE HZ . . 4.380 3.435 2.955 3.814 . 0 0 "[ . 1 . 2]" 1
1360 1 73 LEU QD 1 107 TYR QD . . 3.990 3.019 2.664 3.225 . 0 0 "[ . 1 . 2]" 1
1361 1 73 LEU QD 1 107 TYR QE . . 3.740 2.237 2.058 2.387 . 0 0 "[ . 1 . 2]" 1
1362 1 73 LEU QD 1 122 PHE QE . . 4.490 3.714 3.019 3.917 . 0 0 "[ . 1 . 2]" 1
1363 1 73 LEU QD 1 122 PHE HZ . . 4.720 3.720 3.364 3.976 . 0 0 "[ . 1 . 2]" 1
1364 1 73 LEU QD 1 136 VAL H . . 4.680 4.138 3.356 4.463 . 0 0 "[ . 1 . 2]" 1
1365 1 73 LEU QD 1 136 VAL HA . . 4.090 2.734 2.304 3.014 . 0 0 "[ . 1 . 2]" 1
1366 1 73 LEU QD 1 136 VAL HB . . 4.710 2.904 2.513 3.516 . 0 0 "[ . 1 . 2]" 1
1367 1 73 LEU QD 1 136 VAL MG2 . . 3.470 2.239 1.859 3.220 . 0 0 "[ . 1 . 2]" 1
1368 1 73 LEU HG 1 74 ARG H . . 4.650 4.907 4.879 4.941 0.291 11 0 "[ . 1 . 2]" 1
1369 1 73 LEU HG 1 87 GLN H . . 5.090 5.004 4.979 5.038 . 0 0 "[ . 1 . 2]" 1
1370 1 74 ARG H 1 75 VAL H . . 4.830 3.842 3.661 3.951 . 0 0 "[ . 1 . 2]" 1
1371 1 74 ARG H 1 75 VAL MG2 . . 4.560 3.863 3.687 3.942 . 0 0 "[ . 1 . 2]" 1
1372 1 74 ARG HA 1 74 ARG QD . . 4.430 3.463 3.205 3.621 . 0 0 "[ . 1 . 2]" 1
1373 1 74 ARG HA 1 74 ARG QG . . 3.530 2.079 2.031 2.144 . 0 0 "[ . 1 . 2]" 1
1374 1 74 ARG HA 1 75 VAL H . . 3.360 2.233 2.225 2.262 . 0 0 "[ . 1 . 2]" 1
1375 1 74 ARG HA 1 75 VAL HB . . 4.640 4.623 4.589 4.663 0.023 5 0 "[ . 1 . 2]" 1
1376 1 74 ARG HA 1 75 VAL MG2 . . 4.310 3.729 3.556 3.878 . 0 0 "[ . 1 . 2]" 1
1377 1 74 ARG HA 1 83 LEU QD . . 4.640 2.732 2.371 2.927 . 0 0 "[ . 1 . 2]" 1
1378 1 74 ARG HA 1 85 VAL H . . 4.930 4.582 4.531 4.683 . 0 0 "[ . 1 . 2]" 1
1379 1 74 ARG HA 1 85 VAL MG1 . . 4.400 4.492 4.434 4.527 0.127 20 0 "[ . 1 . 2]" 1
1380 1 74 ARG HA 1 86 ASP HA . . 4.000 2.752 2.491 3.012 . 0 0 "[ . 1 . 2]" 1
1381 1 74 ARG HA 1 87 GLN H . . 4.440 3.169 2.938 3.373 . 0 0 "[ . 1 . 2]" 1
1382 1 74 ARG QB 1 75 VAL H . . 4.390 3.602 3.490 3.759 . 0 0 "[ . 1 . 2]" 1
1383 1 74 ARG QB 1 76 VAL MG2 . . 3.300 2.748 2.635 2.927 . 0 0 "[ . 1 . 2]" 1
1384 1 74 ARG QB 1 86 ASP HA . . 4.650 4.433 4.256 4.700 0.050 12 0 "[ . 1 . 2]" 1
1385 1 74 ARG QD 1 75 VAL H . . 4.850 4.665 4.304 4.892 0.042 6 0 "[ . 1 . 2]" 1
1386 1 74 ARG QD 1 76 VAL MG2 . . 4.120 3.421 3.170 3.606 . 0 0 "[ . 1 . 2]" 1
1387 1 74 ARG QD 1 83 LEU QD . . 3.240 1.869 1.648 2.073 . 0 0 "[ . 1 . 2]" 1
1388 1 74 ARG HE 1 83 LEU QD . . 4.330 3.312 2.561 3.940 . 0 0 "[ . 1 . 2]" 1
1389 1 74 ARG HE 1 86 ASP HA . . 5.280 4.302 3.116 4.791 . 0 0 "[ . 1 . 2]" 1
1390 1 74 ARG QG 1 75 VAL H . . 4.060 4.037 3.896 4.142 0.082 13 0 "[ . 1 . 2]" 1
1391 1 74 ARG QG 1 83 LEU QD . . 2.890 2.764 2.450 2.879 . 0 0 "[ . 1 . 2]" 1
1392 1 74 ARG QG 1 86 ASP HA . . 3.910 2.757 2.478 3.044 . 0 0 "[ . 1 . 2]" 1
1393 1 74 ARG QG 1 86 ASP HB3 . . 4.600 5.067 4.650 5.434 0.834 7 8 "[ * + -*** .* *]" 1
1394 1 74 ARG QG 1 87 GLN H . . 3.840 3.574 3.176 3.830 . 0 0 "[ . 1 . 2]" 1
1395 1 75 VAL H 1 75 VAL HB . . 3.910 2.407 2.373 2.443 . 0 0 "[ . 1 . 2]" 1
1396 1 75 VAL H 1 75 VAL MG1 . . 4.190 3.730 3.715 3.751 . 0 0 "[ . 1 . 2]" 1
1397 1 75 VAL H 1 75 VAL MG2 . . 3.550 2.316 2.184 2.510 . 0 0 "[ . 1 . 2]" 1
1398 1 75 VAL H 1 76 VAL H . . 5.140 4.179 4.100 4.269 . 0 0 "[ . 1 . 2]" 1
1399 1 75 VAL H 1 85 VAL H . . 4.200 2.853 2.744 3.015 . 0 0 "[ . 1 . 2]" 1
1400 1 75 VAL H 1 85 VAL HB . . 3.810 3.253 3.131 3.364 . 0 0 "[ . 1 . 2]" 1
1401 1 75 VAL H 1 85 VAL MG1 . . 4.100 3.802 3.738 3.862 . 0 0 "[ . 1 . 2]" 1
1402 1 75 VAL H 1 87 GLN H . . 4.940 4.214 3.975 4.644 . 0 0 "[ . 1 . 2]" 1
1403 1 75 VAL HA 1 75 VAL MG1 . . 3.350 2.381 2.326 2.419 . 0 0 "[ . 1 . 2]" 1
1404 1 75 VAL HA 1 75 VAL MG2 . . 3.300 2.332 2.280 2.407 . 0 0 "[ . 1 . 2]" 1
1405 1 75 VAL HA 1 76 VAL H . . 3.410 2.258 2.209 2.285 . 0 0 "[ . 1 . 2]" 1
1406 1 75 VAL HA 1 76 VAL HB . . 4.300 4.370 4.327 4.398 0.098 17 0 "[ . 1 . 2]" 1
1407 1 75 VAL HA 1 85 VAL HB . . 4.890 4.886 4.721 4.968 0.078 11 0 "[ . 1 . 2]" 1
1408 1 75 VAL HB 1 84 ILE H . . 5.130 3.633 3.509 3.719 . 0 0 "[ . 1 . 2]" 1
1409 1 75 VAL HB 1 84 ILE HB . . 3.280 2.560 2.432 2.675 . 0 0 "[ . 1 . 2]" 1
1410 1 75 VAL HB 1 84 ILE MD . . 4.120 3.918 3.828 3.983 . 0 0 "[ . 1 . 2]" 1
1411 1 75 VAL HB 1 84 ILE MG . . 4.090 3.646 3.504 3.858 . 0 0 "[ . 1 . 2]" 1
1412 1 75 VAL HB 1 85 VAL H . . 3.850 2.179 1.983 2.258 . 0 0 "[ . 1 . 2]" 1
1413 1 75 VAL HB 1 85 VAL HA . . 4.750 4.288 4.133 4.371 . 0 0 "[ . 1 . 2]" 1
1414 1 75 VAL HB 1 85 VAL HB . . 3.360 2.106 2.013 2.186 . 0 0 "[ . 1 . 2]" 1
1415 1 75 VAL HB 1 85 VAL MG2 . . 3.350 3.135 2.978 3.331 . 0 0 "[ . 1 . 2]" 1
1416 1 75 VAL MG1 1 76 VAL H . . 3.680 3.490 3.289 3.572 . 0 0 "[ . 1 . 2]" 1
1417 1 75 VAL MG1 1 84 ILE H . . 3.740 3.611 3.481 3.724 . 0 0 "[ . 1 . 2]" 1
1418 1 75 VAL MG1 1 84 ILE HB . . 3.090 1.969 1.956 2.027 . 0 0 "[ . 1 . 2]" 1
1419 1 75 VAL MG1 1 84 ILE MD . . 3.020 2.025 1.981 2.048 . 0 0 "[ . 1 . 2]" 1
1420 1 75 VAL MG1 1 84 ILE HG12 . . 3.990 4.060 4.033 4.080 0.090 8 0 "[ . 1 . 2]" 1
1421 1 75 VAL MG1 1 85 VAL H . . 3.390 3.453 3.320 3.477 0.087 13 0 "[ . 1 . 2]" 1
1422 1 75 VAL MG1 1 85 VAL HB . . 3.760 3.397 3.308 3.465 . 0 0 "[ . 1 . 2]" 1
1423 1 75 VAL MG1 1 122 PHE QE . . 3.910 3.188 2.787 3.518 . 0 0 "[ . 1 . 2]" 1
1424 1 75 VAL MG2 1 85 VAL H . . 3.790 3.670 3.532 3.746 . 0 0 "[ . 1 . 2]" 1
1425 1 75 VAL MG2 1 85 VAL HB . . 3.250 2.360 2.228 2.514 . 0 0 "[ . 1 . 2]" 1
1426 1 75 VAL MG2 1 122 PHE QE . . 3.120 1.890 1.762 1.968 . 0 0 "[ . 1 . 2]" 1
1427 1 75 VAL MG2 1 122 PHE HZ . . 3.320 3.011 2.701 3.353 0.033 10 0 "[ . 1 . 2]" 1
1428 1 76 VAL H 1 76 VAL HB . . 3.480 2.134 2.115 2.157 . 0 0 "[ . 1 . 2]" 1
1429 1 76 VAL H 1 76 VAL MG1 . . 3.810 3.553 3.532 3.575 . 0 0 "[ . 1 . 2]" 1
1430 1 76 VAL H 1 76 VAL MG2 . . 3.310 2.811 2.705 2.894 . 0 0 "[ . 1 . 2]" 1
1431 1 76 VAL H 1 84 ILE HB . . 5.290 4.991 4.862 5.180 . 0 0 "[ . 1 . 2]" 1
1432 1 76 VAL HA 1 83 LEU HA . . 3.950 2.251 2.114 2.380 . 0 0 "[ . 1 . 2]" 1
1433 1 76 VAL HA 1 84 ILE H . . 4.330 2.644 2.573 2.785 . 0 0 "[ . 1 . 2]" 1
1434 1 76 VAL HB 1 77 ASP H . . 3.790 4.094 4.082 4.104 0.314 7 0 "[ . 1 . 2]" 1
1435 1 76 VAL HB 1 81 LYS HA . . 4.650 4.483 4.454 4.524 . 0 0 "[ . 1 . 2]" 1
1436 1 76 VAL MG1 1 77 ASP H . . 3.190 1.902 1.886 1.911 . 0 0 "[ . 1 . 2]" 1
1437 1 76 VAL MG1 1 77 ASP HA . . 3.590 3.602 3.576 3.636 0.046 17 0 "[ . 1 . 2]" 1
1438 1 76 VAL MG1 1 77 ASP HB3 . . 4.270 3.801 3.716 3.880 . 0 0 "[ . 1 . 2]" 1
1439 1 76 VAL MG1 1 78 GLU H . . 4.100 3.524 3.492 3.601 . 0 0 "[ . 1 . 2]" 1
1440 1 76 VAL MG1 1 80 THR H . . 5.500 4.791 4.717 4.832 . 0 0 "[ . 1 . 2]" 1
1441 1 76 VAL MG1 1 81 LYS H . . 3.500 3.370 3.354 3.391 . 0 0 "[ . 1 . 2]" 1
1442 1 76 VAL MG1 1 81 LYS HA . . 2.890 1.865 1.823 1.902 . 0 0 "[ . 1 . 2]" 1
1443 1 76 VAL MG1 1 81 LYS HB2 . . 3.820 3.889 3.832 3.929 0.109 7 0 "[ . 1 . 2]" 1
1444 1 76 VAL MG1 1 81 LYS HB3 . . 4.160 2.879 2.742 2.959 . 0 0 "[ . 1 . 2]" 1
1445 1 76 VAL MG1 1 81 LYS HD2 . . 3.560 1.954 1.779 2.019 . 0 0 "[ . 1 . 2]" 1
1446 1 76 VAL MG1 1 81 LYS HD3 . . 3.230 2.152 1.864 3.246 0.016 2 0 "[ . 1 . 2]" 1
1447 1 76 VAL MG1 1 81 LYS HG2 . . 3.890 3.581 3.513 3.674 . 0 0 "[ . 1 . 2]" 1
1448 1 76 VAL MG1 1 81 LYS HG3 . . 3.910 3.987 3.944 4.079 0.169 12 0 "[ . 1 . 2]" 1
1449 1 76 VAL MG1 1 82 ASP H . . 5.070 3.459 3.406 3.506 . 0 0 "[ . 1 . 2]" 1
1450 1 76 VAL MG1 1 82 ASP HA . . 4.460 4.189 4.097 4.276 . 0 0 "[ . 1 . 2]" 1
1451 1 76 VAL MG1 1 82 ASP QB . . 4.980 4.225 4.142 4.311 . 0 0 "[ . 1 . 2]" 1
1452 1 76 VAL MG2 1 77 ASP H . . 3.470 3.487 3.437 3.528 0.058 12 0 "[ . 1 . 2]" 1
1453 1 76 VAL MG2 1 81 LYS HA . . 4.020 3.894 3.824 3.973 . 0 0 "[ . 1 . 2]" 1
1454 1 76 VAL MG2 1 82 ASP H . . 4.820 4.921 4.908 4.952 0.132 17 0 "[ . 1 . 2]" 1
1455 1 76 VAL MG2 1 83 LEU H . . 4.570 4.590 4.284 4.656 0.086 20 0 "[ . 1 . 2]" 1
1456 1 76 VAL MG2 1 83 LEU HA . . 3.610 2.887 2.779 2.991 . 0 0 "[ . 1 . 2]" 1
1457 1 77 ASP H 1 77 ASP HB2 . . 3.730 2.656 2.538 2.775 . 0 0 "[ . 1 . 2]" 1
1458 1 77 ASP H 1 77 ASP HB3 . . 3.600 2.553 2.416 2.668 . 0 0 "[ . 1 . 2]" 1
1459 1 77 ASP H 1 78 GLU H . . 5.500 4.223 4.214 4.246 . 0 0 "[ . 1 . 2]" 1
1460 1 77 ASP H 1 79 LYS H . . 5.340 4.977 4.951 5.054 . 0 0 "[ . 1 . 2]" 1
1461 1 77 ASP H 1 80 THR H . . 5.380 4.772 4.721 4.816 . 0 0 "[ . 1 . 2]" 1
1462 1 77 ASP H 1 81 LYS H . . 5.160 4.068 4.028 4.110 . 0 0 "[ . 1 . 2]" 1
1463 1 77 ASP H 1 81 LYS HA . . 4.950 3.413 3.313 3.487 . 0 0 "[ . 1 . 2]" 1
1464 1 77 ASP H 1 82 ASP H . . 5.130 3.407 3.357 3.462 . 0 0 "[ . 1 . 2]" 1
1465 1 77 ASP H 1 82 ASP QB . . 4.680 3.437 3.347 3.580 . 0 0 "[ . 1 . 2]" 1
1466 1 77 ASP H 1 84 ILE MD . . 3.420 3.431 3.325 3.471 0.051 8 0 "[ . 1 . 2]" 1
1467 1 77 ASP H 1 84 ILE HG12 . . 5.080 4.023 3.927 4.102 . 0 0 "[ . 1 . 2]" 1
1468 1 77 ASP H 1 84 ILE HG13 . . 5.480 2.830 2.771 2.907 . 0 0 "[ . 1 . 2]" 1
1469 1 77 ASP HA 1 78 GLU H . . 3.310 2.275 2.269 2.280 . 0 0 "[ . 1 . 2]" 1
1470 1 77 ASP HA 1 84 ILE MD . . 3.310 1.910 1.891 1.976 . 0 0 "[ . 1 . 2]" 1
1471 1 77 ASP HA 1 84 ILE HG13 . . 4.080 3.240 3.153 3.378 . 0 0 "[ . 1 . 2]" 1
1472 1 77 ASP HB2 1 78 GLU H . . 4.640 4.601 4.557 4.639 . 0 0 "[ . 1 . 2]" 1
1473 1 77 ASP HB2 1 79 LYS H . . 4.730 4.486 4.446 4.517 . 0 0 "[ . 1 . 2]" 1
1474 1 77 ASP HB2 1 80 THR H . . 4.480 4.711 4.634 4.781 0.301 10 0 "[ . 1 . 2]" 1
1475 1 77 ASP HB2 1 82 ASP H . . 4.280 4.399 4.280 4.535 0.255 10 0 "[ . 1 . 2]" 1
1476 1 77 ASP HB2 1 84 ILE MD . . 3.740 2.403 2.220 2.578 . 0 0 "[ . 1 . 2]" 1
1477 1 77 ASP HB2 1 84 ILE HG13 . . 4.940 2.239 2.116 2.364 . 0 0 "[ . 1 . 2]" 1
1478 1 77 ASP HB2 1 84 ILE MG . . 4.560 4.005 3.982 4.019 . 0 0 "[ . 1 . 2]" 1
1479 1 77 ASP HB3 1 78 GLU H . . 4.940 4.386 4.313 4.473 . 0 0 "[ . 1 . 2]" 1
1480 1 77 ASP HB3 1 79 LYS H . . 5.280 3.553 3.379 3.820 . 0 0 "[ . 1 . 2]" 1
1481 1 77 ASP HB3 1 80 THR H . . 4.290 3.001 2.888 3.153 . 0 0 "[ . 1 . 2]" 1
1482 1 77 ASP HB3 1 81 LYS H . . 4.660 3.611 3.541 3.703 . 0 0 "[ . 1 . 2]" 1
1483 1 77 ASP HB3 1 82 ASP H . . 3.880 2.934 2.840 3.071 . 0 0 "[ . 1 . 2]" 1
1484 1 77 ASP HB3 1 84 ILE MD . . 3.430 3.639 3.577 3.702 0.272 1 0 "[ . 1 . 2]" 1
1485 1 77 ASP HB3 1 84 ILE HG12 . . 4.200 3.732 3.703 3.753 . 0 0 "[ . 1 . 2]" 1
1486 1 77 ASP HB3 1 84 ILE HG13 . . 4.380 3.694 3.524 3.858 . 0 0 "[ . 1 . 2]" 1
1487 1 78 GLU H 1 78 GLU HB2 . . 3.430 2.450 2.360 3.565 0.135 17 0 "[ . 1 . 2]" 1
1488 1 78 GLU H 1 78 GLU HB3 . . 3.410 3.510 2.668 3.561 0.151 13 0 "[ . 1 . 2]" 1
1489 1 78 GLU H 1 78 GLU QG . . 3.810 2.462 1.996 2.527 . 0 0 "[ . 1 . 2]" 1
1490 1 78 GLU H 1 79 LYS H . . 3.190 2.932 2.916 2.949 . 0 0 "[ . 1 . 2]" 1
1491 1 78 GLU H 1 84 ILE MD . . 4.050 3.650 3.591 3.724 . 0 0 "[ . 1 . 2]" 1
1492 1 78 GLU HA 1 78 GLU QG . . 3.230 2.164 2.081 3.294 0.064 17 0 "[ . 1 . 2]" 1
1493 1 78 GLU HB2 1 79 LYS H . . 3.830 3.097 3.041 3.766 . 0 0 "[ . 1 . 2]" 1
1494 1 78 GLU HB3 1 79 LYS H . . 4.040 3.787 3.742 4.248 0.208 17 0 "[ . 1 . 2]" 1
1495 1 78 GLU QG 1 79 LYS H . . 4.410 4.275 2.195 4.414 0.004 16 0 "[ . 1 . 2]" 1
1496 1 79 LYS H 1 79 LYS QB . . 3.010 2.100 2.077 2.140 . 0 0 "[ . 1 . 2]" 1
1497 1 79 LYS H 1 79 LYS HG2 . . 4.230 4.145 4.084 4.502 0.272 1 0 "[ . 1 . 2]" 1
1498 1 79 LYS H 1 80 THR H . . 3.550 3.305 3.236 3.332 . 0 0 "[ . 1 . 2]" 1
1499 1 79 LYS H 1 81 LYS H . . 4.200 3.621 3.594 3.655 . 0 0 "[ . 1 . 2]" 1
1500 1 79 LYS H 1 84 ILE MD . . 5.130 4.615 4.553 4.721 . 0 0 "[ . 1 . 2]" 1
1501 1 79 LYS HA 1 79 LYS QD . . 3.840 3.332 2.772 3.942 0.102 1 0 "[ . 1 . 2]" 1
1502 1 79 LYS HA 1 79 LYS QE . . 4.520 3.468 2.577 4.402 . 0 0 "[ . 1 . 2]" 1
1503 1 79 LYS HA 1 79 LYS HG2 . . 3.280 2.225 2.101 2.950 . 0 0 "[ . 1 . 2]" 1
1504 1 79 LYS HA 1 79 LYS HG3 . . 4.010 3.389 2.369 3.562 . 0 0 "[ . 1 . 2]" 1
1505 1 79 LYS QB 1 79 LYS QD . . 3.030 2.165 2.028 2.279 . 0 0 "[ . 1 . 2]" 1
1506 1 79 LYS QB 1 79 LYS QE . . 4.160 3.593 3.413 3.787 . 0 0 "[ . 1 . 2]" 1
1507 1 79 LYS QB 1 80 THR H . . 3.260 1.961 1.927 2.058 . 0 0 "[ . 1 . 2]" 1
1508 1 79 LYS QB 1 80 THR HA . . 4.540 4.322 4.283 4.402 . 0 0 "[ . 1 . 2]" 1
1509 1 79 LYS QB 1 80 THR MG . . 3.140 3.233 3.213 3.312 0.172 13 0 "[ . 1 . 2]" 1
1510 1 79 LYS QB 1 81 LYS H . . 4.310 3.793 3.761 3.858 . 0 0 "[ . 1 . 2]" 1
1511 1 79 LYS QB 1 84 ILE MD . . 4.770 4.794 4.734 4.865 0.095 5 0 "[ . 1 . 2]" 1
1512 1 79 LYS QD 1 80 THR MG . . 3.890 3.069 2.888 3.960 0.070 1 0 "[ . 1 . 2]" 1
1513 1 79 LYS HG2 1 80 THR H . . 4.400 4.317 3.471 4.487 0.087 18 0 "[ . 1 . 2]" 1
1514 1 79 LYS HG3 1 80 THR H . . 4.270 4.469 4.363 4.565 0.295 17 0 "[ . 1 . 2]" 1
1515 1 80 THR H 1 80 THR MG . . 3.030 2.397 2.367 2.424 . 0 0 "[ . 1 . 2]" 1
1516 1 80 THR H 1 81 LYS H . . 3.460 2.275 2.232 2.313 . 0 0 "[ . 1 . 2]" 1
1517 1 80 THR H 1 81 LYS HA . . 4.280 4.306 4.254 4.328 0.048 12 0 "[ . 1 . 2]" 1
1518 1 80 THR H 1 82 ASP H . . 4.710 2.715 2.662 2.765 . 0 0 "[ . 1 . 2]" 1
1519 1 80 THR HA 1 81 LYS HB2 . . 4.960 3.917 3.867 4.025 . 0 0 "[ . 1 . 2]" 1
1520 1 80 THR HB 1 81 LYS H . . 4.640 4.496 4.467 4.516 . 0 0 "[ . 1 . 2]" 1
1521 1 80 THR HB 1 82 ASP H . . 4.000 4.276 4.222 4.296 0.296 9 0 "[ . 1 . 2]" 1
1522 1 80 THR MG 1 81 LYS HA . . 4.660 4.513 4.467 4.576 . 0 0 "[ . 1 . 2]" 1
1523 1 80 THR MG 1 81 LYS HB2 . . 4.550 4.108 4.037 4.147 . 0 0 "[ . 1 . 2]" 1
1524 1 80 THR MG 1 82 ASP QB . . 4.330 1.801 1.759 1.851 . 0 0 "[ . 1 . 2]" 1
1525 1 81 LYS H 1 81 LYS HB3 . . 4.190 4.103 4.099 4.105 . 0 0 "[ . 1 . 2]" 1
1526 1 81 LYS H 1 81 LYS HD2 . . 4.450 4.660 3.770 4.869 0.419 3 0 "[ . 1 . 2]" 1
1527 1 81 LYS H 1 81 LYS HD3 . . 4.130 3.957 3.693 4.789 0.659 17 2 "[ . 1 - . + 2]" 1
1528 1 81 LYS H 1 81 LYS HG3 . . 4.740 4.522 4.398 4.592 . 0 0 "[ . 1 . 2]" 1
1529 1 81 LYS HA 1 81 LYS HD2 . . 3.100 2.669 1.938 2.854 . 0 0 "[ . 1 . 2]" 1
1530 1 81 LYS HA 1 81 LYS HD3 . . 3.610 2.269 1.992 3.410 . 0 0 "[ . 1 . 2]" 1
1531 1 81 LYS HA 1 81 LYS HG2 . . 3.790 2.599 2.543 2.664 . 0 0 "[ . 1 . 2]" 1
1532 1 81 LYS HA 1 81 LYS HG3 . . 3.730 3.580 3.556 3.634 . 0 0 "[ . 1 . 2]" 1
1533 1 81 LYS HA 1 82 ASP QB . . 4.880 4.806 4.782 4.843 . 0 0 "[ . 1 . 2]" 1
1534 1 81 LYS HB3 1 82 ASP H . . 5.310 4.284 4.233 4.365 . 0 0 "[ . 1 . 2]" 1
1535 1 82 ASP H 1 82 ASP QB . . 3.440 2.040 1.983 2.181 . 0 0 "[ . 1 . 2]" 1
1536 1 82 ASP H 1 83 LEU H . . 4.650 4.579 4.540 4.639 . 0 0 "[ . 1 . 2]" 1
1537 1 82 ASP HA 1 83 LEU H . . 2.990 2.746 2.586 2.821 . 0 0 "[ . 1 . 2]" 1
1538 1 82 ASP QB 1 83 LEU H . . 3.720 2.582 2.233 3.265 . 0 0 "[ . 1 . 2]" 1
1539 1 82 ASP QB 1 83 LEU HA . . 4.590 4.164 3.977 4.754 0.164 13 0 "[ . 1 . 2]" 1
1540 1 83 LEU H 1 83 LEU HB2 . . 3.320 2.761 2.674 2.935 . 0 0 "[ . 1 . 2]" 1
1541 1 83 LEU H 1 83 LEU HB3 . . 3.370 2.623 2.421 2.709 . 0 0 "[ . 1 . 2]" 1
1542 1 83 LEU H 1 84 ILE H . . 4.580 4.388 4.330 4.476 . 0 0 "[ . 1 . 2]" 1
1543 1 83 LEU HA 1 83 LEU QD . . 3.340 1.935 1.861 2.121 . 0 0 "[ . 1 . 2]" 1
1544 1 83 LEU HA 1 83 LEU HG . . 4.050 3.467 3.217 3.587 . 0 0 "[ . 1 . 2]" 1
1545 1 83 LEU HA 1 84 ILE H . . 3.330 2.182 2.178 2.189 . 0 0 "[ . 1 . 2]" 1
1546 1 83 LEU HA 1 84 ILE HB . . 4.590 4.655 4.615 4.697 0.107 8 0 "[ . 1 . 2]" 1
1547 1 83 LEU HA 1 85 VAL H . . 4.340 4.000 3.901 4.124 . 0 0 "[ . 1 . 2]" 1
1548 1 83 LEU HB2 1 84 ILE H . . 4.410 4.428 4.305 4.479 0.069 1 0 "[ . 1 . 2]" 1
1549 1 83 LEU HB3 1 83 LEU QD . . 3.050 2.260 2.201 2.404 . 0 0 "[ . 1 . 2]" 1
1550 1 83 LEU HB3 1 84 ILE H . . 4.260 4.249 4.195 4.318 0.058 13 0 "[ . 1 . 2]" 1
1551 1 83 LEU QD 1 84 ILE H . . 3.820 2.137 2.028 2.237 . 0 0 "[ . 1 . 2]" 1
1552 1 83 LEU QD 1 85 VAL H . . 4.550 2.334 2.120 2.513 . 0 0 "[ . 1 . 2]" 1
1553 1 83 LEU QD 1 85 VAL HA . . 4.410 3.200 2.833 3.955 . 0 0 "[ . 1 . 2]" 1
1554 1 83 LEU QD 1 86 ASP H . . 5.440 3.457 3.170 4.087 . 0 0 "[ . 1 . 2]" 1
1555 1 83 LEU QD 1 86 ASP HA . . 3.930 2.716 2.681 2.776 . 0 0 "[ . 1 . 2]" 1
1556 1 83 LEU QD 1 86 ASP HB2 . . 3.590 2.176 2.009 2.287 . 0 0 "[ . 1 . 2]" 1
1557 1 83 LEU QD 1 86 ASP HB3 . . 3.620 3.129 2.888 3.552 . 0 0 "[ . 1 . 2]" 1
1558 1 83 LEU QD 1 87 GLN H . . 4.900 4.328 4.137 4.414 . 0 0 "[ . 1 . 2]" 1
1559 1 83 LEU HG 1 84 ILE H . . 5.390 4.390 3.397 4.843 . 0 0 "[ . 1 . 2]" 1
1560 1 83 LEU HG 1 85 VAL H . . 5.500 4.509 3.123 5.252 . 0 0 "[ . 1 . 2]" 1
1561 1 83 LEU HG 1 86 ASP HB3 . . 4.690 4.896 4.495 5.142 0.452 10 0 "[ . 1 . 2]" 1
1562 1 84 ILE H 1 84 ILE HB . . 3.590 2.500 2.459 2.537 . 0 0 "[ . 1 . 2]" 1
1563 1 84 ILE H 1 84 ILE HG12 . . 3.670 3.528 3.434 3.620 . 0 0 "[ . 1 . 2]" 1
1564 1 84 ILE H 1 84 ILE HG13 . . 3.810 2.189 2.113 2.267 . 0 0 "[ . 1 . 2]" 1
1565 1 84 ILE H 1 85 VAL H . . 3.390 2.316 2.228 2.371 . 0 0 "[ . 1 . 2]" 1
1566 1 84 ILE H 1 85 VAL HA . . 4.690 4.800 4.773 4.832 0.142 13 0 "[ . 1 . 2]" 1
1567 1 84 ILE HA 1 84 ILE MD . . 3.750 3.887 3.870 3.910 0.160 20 0 "[ . 1 . 2]" 1
1568 1 84 ILE HA 1 84 ILE HG12 . . 3.260 2.676 2.640 2.731 . 0 0 "[ . 1 . 2]" 1
1569 1 84 ILE HA 1 84 ILE HG13 . . 3.460 3.017 2.953 3.082 . 0 0 "[ . 1 . 2]" 1
1570 1 84 ILE HA 1 84 ILE MG . . 3.030 2.383 2.335 2.431 . 0 0 "[ . 1 . 2]" 1
1571 1 84 ILE HA 1 85 VAL MG2 . . 4.530 3.947 3.829 4.074 . 0 0 "[ . 1 . 2]" 1
1572 1 84 ILE HB 1 85 VAL H . . 3.620 2.567 2.443 2.697 . 0 0 "[ . 1 . 2]" 1
1573 1 84 ILE HB 1 85 VAL HA . . 4.780 4.749 4.692 4.785 0.005 10 0 "[ . 1 . 2]" 1
1574 1 84 ILE HB 1 85 VAL MG2 . . 3.470 3.259 3.116 3.375 . 0 0 "[ . 1 . 2]" 1
1575 1 84 ILE MD 1 85 VAL H . . 4.160 4.359 4.220 4.403 0.243 15 0 "[ . 1 . 2]" 1
1576 1 84 ILE HG13 1 85 VAL H . . 4.720 4.065 3.985 4.135 . 0 0 "[ . 1 . 2]" 1
1577 1 84 ILE MG 1 85 VAL H . . 3.730 3.606 3.518 3.741 0.011 20 0 "[ . 1 . 2]" 1
1578 1 84 ILE MG 1 85 VAL HA . . 4.340 4.214 4.123 4.314 . 0 0 "[ . 1 . 2]" 1
1579 1 84 ILE MG 1 85 VAL MG2 . . 2.910 2.349 2.219 2.429 . 0 0 "[ . 1 . 2]" 1
1580 1 85 VAL H 1 85 VAL HB . . 3.830 2.717 2.664 2.758 . 0 0 "[ . 1 . 2]" 1
1581 1 85 VAL H 1 85 VAL MG2 . . 3.830 3.170 3.048 3.226 . 0 0 "[ . 1 . 2]" 1
1582 1 85 VAL H 1 86 ASP H . . 4.770 4.398 4.382 4.418 . 0 0 "[ . 1 . 2]" 1
1583 1 85 VAL HA 1 85 VAL MG1 . . 3.010 2.488 2.454 2.535 . 0 0 "[ . 1 . 2]" 1
1584 1 85 VAL HA 1 85 VAL MG2 . . 3.070 2.242 2.175 2.351 . 0 0 "[ . 1 . 2]" 1
1585 1 85 VAL HA 1 86 ASP H . . 2.920 2.381 2.348 2.432 . 0 0 "[ . 1 . 2]" 1
1586 1 85 VAL HA 1 86 ASP HB2 . . 4.730 4.669 4.640 4.683 . 0 0 "[ . 1 . 2]" 1
1587 1 85 VAL HA 1 86 ASP HB3 . . 4.870 4.203 4.195 4.221 . 0 0 "[ . 1 . 2]" 1
1588 1 85 VAL HB 1 86 ASP H . . 4.620 3.922 3.850 3.993 . 0 0 "[ . 1 . 2]" 1
1589 1 85 VAL HB 1 86 ASP HA . . 4.650 4.800 4.770 4.852 0.202 20 0 "[ . 1 . 2]" 1
1590 1 85 VAL MG1 1 86 ASP H . . 3.190 2.070 1.929 2.160 . 0 0 "[ . 1 . 2]" 1
1591 1 85 VAL MG1 1 86 ASP HA . . 4.030 3.418 3.347 3.487 . 0 0 "[ . 1 . 2]" 1
1592 1 85 VAL MG1 1 87 GLN H . . 3.680 3.244 2.991 3.713 0.033 16 0 "[ . 1 . 2]" 1
1593 1 85 VAL MG1 1 87 GLN HA . . 4.250 3.865 3.630 4.160 . 0 0 "[ . 1 . 2]" 1
1594 1 85 VAL MG1 1 87 GLN HB2 . . 4.410 2.963 2.808 3.070 . 0 0 "[ . 1 . 2]" 1
1595 1 85 VAL MG1 1 120 HIS HE1 . . 4.000 3.031 2.358 3.430 . 0 0 "[ . 1 . 2]" 1
1596 1 85 VAL MG1 1 122 PHE HZ . . 4.740 4.418 4.022 4.818 0.078 10 0 "[ . 1 . 2]" 1
1597 1 85 VAL MG2 1 120 HIS HE1 . . 3.770 3.525 2.802 3.846 0.076 10 0 "[ . 1 . 2]" 1
1598 1 86 ASP H 1 86 ASP HB2 . . 3.770 3.391 3.365 3.401 . 0 0 "[ . 1 . 2]" 1
1599 1 86 ASP H 1 86 ASP HB3 . . 3.970 2.493 2.461 2.505 . 0 0 "[ . 1 . 2]" 1
1600 1 86 ASP H 1 87 GLN H . . 5.400 3.921 3.779 4.174 . 0 0 "[ . 1 . 2]" 1
1601 1 86 ASP HB2 1 87 GLN H . . 4.650 4.431 4.241 4.515 . 0 0 "[ . 1 . 2]" 1
1602 1 86 ASP HB3 1 87 GLN H . . 4.530 4.603 4.512 4.630 0.100 17 0 "[ . 1 . 2]" 1
1603 1 87 GLN H 1 87 GLN HB2 . . 3.970 2.787 2.413 3.082 . 0 0 "[ . 1 . 2]" 1
1604 1 87 GLN H 1 87 GLN HB3 . . 3.820 2.587 2.426 2.814 . 0 0 "[ . 1 . 2]" 1
1605 1 87 GLN HA 1 87 GLN HE21 . . 5.500 3.819 3.227 4.546 . 0 0 "[ . 1 . 2]" 1
1606 1 87 GLN HA 1 87 GLN HE22 . . 5.250 4.006 3.399 4.501 . 0 0 "[ . 1 . 2]" 1
1607 1 87 GLN HA 1 88 THR H . . 3.290 2.304 2.248 2.364 . 0 0 "[ . 1 . 2]" 1
1608 1 87 GLN HB2 1 88 THR H . . 5.010 4.176 4.021 4.370 . 0 0 "[ . 1 . 2]" 1
1609 1 87 GLN HB3 1 88 THR H . . 4.290 3.969 3.705 4.101 . 0 0 "[ . 1 . 2]" 1
1610 1 87 GLN HE21 1 88 THR H . . 4.670 2.760 1.895 3.503 . 0 0 "[ . 1 . 2]" 1
1611 1 87 GLN HE21 1 88 THR MG . . 4.110 3.066 2.289 3.791 . 0 0 "[ . 1 . 2]" 1
1612 1 87 GLN HE21 1 91 LYS H . . 4.970 3.967 3.500 4.520 . 0 0 "[ . 1 . 2]" 1
1613 1 87 GLN HE21 1 91 LYS HB2 . . 4.930 2.164 1.941 2.621 . 0 0 "[ . 1 . 2]" 1
1614 1 87 GLN HE21 1 91 LYS HB3 . . 4.600 2.902 2.142 3.484 . 0 0 "[ . 1 . 2]" 1
1615 1 87 GLN HE21 1 92 VAL MG2 . . 4.040 2.477 1.994 3.213 . 0 0 "[ . 1 . 2]" 1
1616 1 87 GLN HE22 1 88 THR H . . 4.850 3.284 2.517 3.863 . 0 0 "[ . 1 . 2]" 1
1617 1 87 GLN HE22 1 88 THR MG . . 4.200 3.268 2.559 3.818 . 0 0 "[ . 1 . 2]" 1
1618 1 87 GLN HE22 1 91 LYS H . . 5.130 4.275 3.051 5.020 . 0 0 "[ . 1 . 2]" 1
1619 1 87 GLN HE22 1 91 LYS HB2 . . 4.850 2.197 1.918 2.928 . 0 0 "[ . 1 . 2]" 1
1620 1 87 GLN HE22 1 91 LYS HB3 . . 4.690 2.490 1.949 3.589 . 0 0 "[ . 1 . 2]" 1
1621 1 87 GLN HE22 1 91 LYS QE . . 5.500 4.254 1.977 5.706 0.206 10 0 "[ . 1 . 2]" 1
1622 1 87 GLN HE22 1 92 VAL H . . 5.230 3.648 1.883 4.697 . 0 0 "[ . 1 . 2]" 1
1623 1 87 GLN HE22 1 92 VAL MG2 . . 4.100 3.510 1.950 4.134 0.034 6 0 "[ . 1 . 2]" 1
1624 1 87 GLN HG2 1 88 THR H . . 4.800 3.884 3.013 4.352 . 0 0 "[ . 1 . 2]" 1
1625 1 87 GLN HG2 1 92 VAL MG2 . . 3.350 2.790 2.390 3.746 0.396 10 0 "[ . 1 . 2]" 1
1626 1 87 GLN HG3 1 88 THR H . . 4.910 2.740 2.212 4.234 . 0 0 "[ . 1 . 2]" 1
1627 1 88 THR H 1 88 THR HB . . 3.900 3.110 2.997 3.240 . 0 0 "[ . 1 . 2]" 1
1628 1 88 THR H 1 88 THR MG . . 3.210 1.924 1.869 2.017 . 0 0 "[ . 1 . 2]" 1
1629 1 88 THR H 1 91 LYS HB3 . . 5.080 4.789 4.513 5.114 0.034 6 0 "[ . 1 . 2]" 1
1630 1 88 THR HA 1 90 GLU H . . 4.890 3.782 3.599 3.979 . 0 0 "[ . 1 . 2]" 1
1631 1 88 THR HB 1 89 ILE H . . 3.920 4.030 3.992 4.078 0.158 10 0 "[ . 1 . 2]" 1
1632 1 88 THR HB 1 90 GLU H . . 4.330 4.183 4.029 4.449 0.119 17 0 "[ . 1 . 2]" 1
1633 1 88 THR HB 1 90 GLU HB2 . . 4.770 4.346 4.111 4.574 . 0 0 "[ . 1 . 2]" 1
1634 1 88 THR HB 1 90 GLU QG . . 4.990 4.576 4.116 5.076 0.086 15 0 "[ . 1 . 2]" 1
1635 1 88 THR HB 1 91 LYS H . . 4.880 4.695 4.611 4.841 . 0 0 "[ . 1 . 2]" 1
1636 1 88 THR MG 1 89 ILE H . . 4.620 4.117 3.992 4.225 . 0 0 "[ . 1 . 2]" 1
1637 1 88 THR MG 1 90 GLU H . . 3.520 3.230 2.955 3.497 . 0 0 "[ . 1 . 2]" 1
1638 1 88 THR MG 1 90 GLU HB2 . . 4.480 2.450 2.156 2.695 . 0 0 "[ . 1 . 2]" 1
1639 1 88 THR MG 1 90 GLU QG . . 4.140 3.643 3.367 4.067 . 0 0 "[ . 1 . 2]" 1
1640 1 88 THR MG 1 91 LYS H . . 3.580 2.090 1.912 2.246 . 0 0 "[ . 1 . 2]" 1
1641 1 88 THR MG 1 91 LYS HB2 . . 3.740 2.231 1.952 2.610 . 0 0 "[ . 1 . 2]" 1
1642 1 88 THR MG 1 91 LYS QE . . 3.690 2.945 1.758 3.641 . 0 0 "[ . 1 . 2]" 1
1643 1 88 THR MG 1 92 VAL H . . 5.040 3.645 3.372 3.935 . 0 0 "[ . 1 . 2]" 1
1644 1 89 ILE H 1 89 ILE HB . . 3.400 2.095 2.060 2.139 . 0 0 "[ . 1 . 2]" 1
1645 1 89 ILE H 1 89 ILE MD . . 4.000 3.384 3.253 3.550 . 0 0 "[ . 1 . 2]" 1
1646 1 89 ILE H 1 89 ILE HG12 . . 4.620 4.499 4.449 4.565 . 0 0 "[ . 1 . 2]" 1
1647 1 89 ILE H 1 89 ILE MG . . 3.350 2.690 2.575 2.787 . 0 0 "[ . 1 . 2]" 1
1648 1 89 ILE H 1 90 GLU H . . 4.170 2.701 2.602 2.809 . 0 0 "[ . 1 . 2]" 1
1649 1 89 ILE H 1 92 VAL MG2 . . 4.670 4.367 4.106 4.486 . 0 0 "[ . 1 . 2]" 1
1650 1 89 ILE HA 1 89 ILE MD . . 3.190 2.015 1.922 2.201 . 0 0 "[ . 1 . 2]" 1
1651 1 89 ILE HA 1 89 ILE HG12 . . 3.850 3.566 3.553 3.583 . 0 0 "[ . 1 . 2]" 1
1652 1 89 ILE HA 1 89 ILE HG13 . . 3.770 2.589 2.456 2.758 . 0 0 "[ . 1 . 2]" 1
1653 1 89 ILE HA 1 89 ILE MG . . 3.530 3.160 3.150 3.173 . 0 0 "[ . 1 . 2]" 1
1654 1 89 ILE HA 1 91 LYS H . . 4.880 4.951 4.817 5.010 0.130 10 0 "[ . 1 . 2]" 1
1655 1 89 ILE HA 1 92 VAL H . . 4.450 3.586 3.400 3.758 . 0 0 "[ . 1 . 2]" 1
1656 1 89 ILE HA 1 92 VAL HB . . 3.880 2.475 2.169 2.719 . 0 0 "[ . 1 . 2]" 1
1657 1 89 ILE HA 1 92 VAL MG2 . . 3.390 2.673 2.509 2.845 . 0 0 "[ . 1 . 2]" 1
1658 1 89 ILE HA 1 140 PHE QD . . 4.460 3.914 3.437 4.489 0.029 16 0 "[ . 1 . 2]" 1
1659 1 89 ILE HB 1 89 ILE MD . . 3.460 2.232 2.123 2.309 . 0 0 "[ . 1 . 2]" 1
1660 1 89 ILE HB 1 90 GLU H . . 4.270 3.849 3.662 3.957 . 0 0 "[ . 1 . 2]" 1
1661 1 89 ILE HB 1 92 VAL MG2 . . 4.850 4.760 4.574 4.920 0.070 14 0 "[ . 1 . 2]" 1
1662 1 89 ILE HB 1 139 ALA MB . . 4.150 3.290 3.129 3.539 . 0 0 "[ . 1 . 2]" 1
1663 1 89 ILE HB 1 140 PHE HA . . 4.910 4.612 4.264 4.880 . 0 0 "[ . 1 . 2]" 1
1664 1 89 ILE HB 1 143 CYS HB2 . . 4.490 3.917 3.757 4.062 . 0 0 "[ . 1 . 2]" 1
1665 1 89 ILE MD 1 89 ILE MG . . 3.190 3.248 3.185 3.269 0.079 10 0 "[ . 1 . 2]" 1
1666 1 89 ILE MD 1 92 VAL H . . 5.040 4.812 4.631 4.943 . 0 0 "[ . 1 . 2]" 1
1667 1 89 ILE MD 1 92 VAL HB . . 4.120 3.140 2.800 3.344 . 0 0 "[ . 1 . 2]" 1
1668 1 89 ILE MD 1 139 ALA H . . 4.050 3.974 3.920 3.999 . 0 0 "[ . 1 . 2]" 1
1669 1 89 ILE MD 1 139 ALA MB . . 2.660 2.090 1.942 2.302 . 0 0 "[ . 1 . 2]" 1
1670 1 89 ILE MD 1 140 PHE H . . 4.250 2.884 2.319 3.292 . 0 0 "[ . 1 . 2]" 1
1671 1 89 ILE MD 1 140 PHE HA . . 4.020 3.404 2.937 3.653 . 0 0 "[ . 1 . 2]" 1
1672 1 89 ILE MD 1 140 PHE HB2 . . 3.900 3.284 2.720 3.480 . 0 0 "[ . 1 . 2]" 1
1673 1 89 ILE MD 1 140 PHE HB3 . . 4.670 4.663 4.112 4.801 0.131 6 0 "[ . 1 . 2]" 1
1674 1 89 ILE MD 1 140 PHE QD . . 3.740 2.348 1.984 2.999 . 0 0 "[ . 1 . 2]" 1
1675 1 89 ILE MD 1 140 PHE QE . . 4.500 3.720 3.168 4.126 . 0 0 "[ . 1 . 2]" 1
1676 1 89 ILE MD 1 143 CYS HB2 . . 4.750 4.662 4.496 4.827 0.077 16 0 "[ . 1 . 2]" 1
1677 1 89 ILE HG12 1 89 ILE MG . . 3.540 2.362 2.226 2.460 . 0 0 "[ . 1 . 2]" 1
1678 1 89 ILE HG12 1 140 PHE HA . . 4.280 2.183 1.972 2.464 . 0 0 "[ . 1 . 2]" 1
1679 1 89 ILE HG12 1 140 PHE QD . . 4.240 2.983 2.483 3.854 . 0 0 "[ . 1 . 2]" 1
1680 1 89 ILE HG12 1 143 CYS HB2 . . 4.860 3.381 3.034 3.614 . 0 0 "[ . 1 . 2]" 1
1681 1 89 ILE HG13 1 89 ILE MG . . 3.150 2.474 2.328 2.668 . 0 0 "[ . 1 . 2]" 1
1682 1 89 ILE HG13 1 140 PHE HA . . 4.450 2.777 2.103 3.326 . 0 0 "[ . 1 . 2]" 1
1683 1 89 ILE HG13 1 140 PHE HB2 . . 4.730 3.904 3.265 4.313 . 0 0 "[ . 1 . 2]" 1
1684 1 89 ILE HG13 1 140 PHE QD . . 4.390 1.990 1.921 2.922 . 0 0 "[ . 1 . 2]" 1
1685 1 89 ILE HG13 1 143 CYS HB2 . . 4.960 4.672 4.086 4.979 0.019 13 0 "[ . 1 . 2]" 1
1686 1 89 ILE MG 1 90 GLU H . . 3.330 2.326 1.954 2.555 . 0 0 "[ . 1 . 2]" 1
1687 1 89 ILE MG 1 90 GLU HA . . 3.220 3.028 2.924 3.136 . 0 0 "[ . 1 . 2]" 1
1688 1 89 ILE MG 1 90 GLU HB2 . . 4.280 4.201 3.989 4.366 0.086 10 0 "[ . 1 . 2]" 1
1689 1 89 ILE MG 1 90 GLU HB3 . . 4.720 4.681 4.480 4.843 0.123 3 0 "[ . 1 . 2]" 1
1690 1 89 ILE MG 1 90 GLU QG . . 3.700 2.777 2.467 2.918 . 0 0 "[ . 1 . 2]" 1
1691 1 89 ILE MG 1 91 LYS H . . 5.360 4.882 4.722 4.976 . 0 0 "[ . 1 . 2]" 1
1692 1 89 ILE MG 1 140 PHE H . . 5.090 4.964 4.757 5.014 . 0 0 "[ . 1 . 2]" 1
1693 1 89 ILE MG 1 140 PHE HA . . 3.810 3.213 2.717 3.454 . 0 0 "[ . 1 . 2]" 1
1694 1 89 ILE MG 1 140 PHE QD . . 3.790 3.932 3.855 3.978 0.188 19 0 "[ . 1 . 2]" 1
1695 1 89 ILE MG 1 143 CYS H . . 4.440 3.895 3.775 3.998 . 0 0 "[ . 1 . 2]" 1
1696 1 89 ILE MG 1 143 CYS HB2 . . 3.310 2.022 1.956 2.152 . 0 0 "[ . 1 . 2]" 1
1697 1 89 ILE MG 1 143 CYS HB3 . . 3.540 2.235 2.140 2.372 . 0 0 "[ . 1 . 2]" 1
1698 1 89 ILE MG 1 144 LEU H . . 4.350 4.374 4.196 4.456 0.106 13 0 "[ . 1 . 2]" 1
1699 1 90 GLU H 1 90 GLU HB2 . . 3.640 2.414 2.152 2.642 . 0 0 "[ . 1 . 2]" 1
1700 1 90 GLU H 1 90 GLU HB3 . . 3.660 3.530 3.450 3.552 . 0 0 "[ . 1 . 2]" 1
1701 1 90 GLU H 1 90 GLU QG . . 3.670 2.233 1.922 2.786 . 0 0 "[ . 1 . 2]" 1
1702 1 90 GLU H 1 91 LYS H . . 4.060 3.034 2.896 3.222 . 0 0 "[ . 1 . 2]" 1
1703 1 90 GLU H 1 92 VAL H . . 5.240 4.259 4.089 4.484 . 0 0 "[ . 1 . 2]" 1
1704 1 90 GLU H 1 92 VAL MG2 . . 5.500 4.666 4.437 4.855 . 0 0 "[ . 1 . 2]" 1
1705 1 90 GLU HA 1 90 GLU QG . . 3.140 2.876 2.685 3.036 . 0 0 "[ . 1 . 2]" 1
1706 1 90 GLU HA 1 92 VAL H . . 5.200 4.722 4.472 4.897 . 0 0 "[ . 1 . 2]" 1
1707 1 90 GLU HB2 1 91 LYS H . . 4.600 2.205 2.037 2.443 . 0 0 "[ . 1 . 2]" 1
1708 1 90 GLU HB2 1 92 VAL H . . 5.210 4.881 4.724 5.058 . 0 0 "[ . 1 . 2]" 1
1709 1 90 GLU HB3 1 91 LYS H . . 4.520 3.060 2.747 3.206 . 0 0 "[ . 1 . 2]" 1
1710 1 90 GLU QG 1 91 LYS H . . 4.460 3.967 3.785 4.178 . 0 0 "[ . 1 . 2]" 1
1711 1 91 LYS H 1 91 LYS HB2 . . 4.060 2.318 2.127 2.576 . 0 0 "[ . 1 . 2]" 1
1712 1 91 LYS H 1 91 LYS HB3 . . 3.810 3.493 3.433 3.548 . 0 0 "[ . 1 . 2]" 1
1713 1 91 LYS H 1 91 LYS HD2 . . 4.810 3.363 2.315 4.161 . 0 0 "[ . 1 . 2]" 1
1714 1 91 LYS H 1 91 LYS HD3 . . 4.590 2.859 2.251 3.369 . 0 0 "[ . 1 . 2]" 1
1715 1 91 LYS H 1 91 LYS HG2 . . 4.230 3.339 2.032 4.204 . 0 0 "[ . 1 . 2]" 1
1716 1 91 LYS H 1 91 LYS HG3 . . 4.220 3.410 3.091 3.595 . 0 0 "[ . 1 . 2]" 1
1717 1 91 LYS H 1 92 VAL H . . 3.710 2.985 2.894 3.092 . 0 0 "[ . 1 . 2]" 1
1718 1 91 LYS H 1 92 VAL MG2 . . 4.190 4.262 4.195 4.302 0.112 14 0 "[ . 1 . 2]" 1
1719 1 91 LYS HA 1 91 LYS HD2 . . 3.630 3.064 1.989 4.327 0.697 8 3 "[ -. + 1 . * 2]" 1
1720 1 91 LYS HA 1 91 LYS HD3 . . 4.160 3.268 2.099 4.283 0.123 9 0 "[ . 1 . 2]" 1
1721 1 91 LYS HA 1 91 LYS HG2 . . 3.990 3.227 3.075 3.310 . 0 0 "[ . 1 . 2]" 1
1722 1 91 LYS HA 1 91 LYS HG3 . . 3.750 2.647 1.997 3.631 . 0 0 "[ . 1 . 2]" 1
1723 1 91 LYS HB2 1 91 LYS HD2 . . 4.170 3.297 2.665 3.693 . 0 0 "[ . 1 . 2]" 1
1724 1 91 LYS HB2 1 91 LYS HD3 . . 3.840 2.907 2.158 3.863 0.023 10 0 "[ . 1 . 2]" 1
1725 1 91 LYS HB2 1 92 VAL H . . 3.560 2.655 2.364 2.843 . 0 0 "[ . 1 . 2]" 1
1726 1 91 LYS HB3 1 92 VAL H . . 4.710 3.279 3.050 3.705 . 0 0 "[ . 1 . 2]" 1
1727 1 91 LYS HB3 1 92 VAL MG2 . . 4.580 4.109 3.845 4.434 . 0 0 "[ . 1 . 2]" 1
1728 1 91 LYS HB3 1 109 CYS HA . . 4.880 3.531 3.281 3.960 . 0 0 "[ . 1 . 2]" 1
1729 1 91 LYS QE 1 91 LYS HG2 . . 3.920 2.530 2.221 2.845 . 0 0 "[ . 1 . 2]" 1
1730 1 92 VAL H 1 92 VAL HB . . 3.600 2.478 2.405 2.572 . 0 0 "[ . 1 . 2]" 1
1731 1 92 VAL H 1 92 VAL MG1 . . 4.250 3.709 3.698 3.716 . 0 0 "[ . 1 . 2]" 1
1732 1 92 VAL H 1 92 VAL MG2 . . 3.250 1.939 1.902 1.983 . 0 0 "[ . 1 . 2]" 1
1733 1 92 VAL H 1 93 SER H . . 5.290 4.405 4.281 4.624 . 0 0 "[ . 1 . 2]" 1
1734 1 92 VAL HA 1 92 VAL MG1 . . 3.530 2.495 2.460 2.552 . 0 0 "[ . 1 . 2]" 1
1735 1 92 VAL HA 1 92 VAL MG2 . . 3.520 2.323 2.288 2.369 . 0 0 "[ . 1 . 2]" 1
1736 1 92 VAL HA 1 94 PHE H . . 4.620 3.897 3.782 4.130 . 0 0 "[ . 1 . 2]" 1
1737 1 92 VAL HA 1 109 CYS HA . . 3.880 2.561 2.208 2.973 . 0 0 "[ . 1 . 2]" 1
1738 1 92 VAL HA 1 109 CYS HB2 . . 4.560 2.892 2.290 3.171 . 0 0 "[ . 1 . 2]" 1
1739 1 92 VAL HA 1 109 CYS HB3 . . 4.570 2.545 2.025 4.443 . 0 0 "[ . 1 . 2]" 1
1740 1 92 VAL HB 1 93 SER H . . 5.240 4.474 4.133 4.580 . 0 0 "[ . 1 . 2]" 1
1741 1 92 VAL HB 1 140 PHE QD . . 4.660 3.714 3.010 4.221 . 0 0 "[ . 1 . 2]" 1
1742 1 92 VAL HB 1 140 PHE QE . . 4.490 2.525 2.243 2.811 . 0 0 "[ . 1 . 2]" 1
1743 1 92 VAL HB 1 140 PHE HZ . . 4.650 4.667 4.198 4.751 0.101 12 0 "[ . 1 . 2]" 1
1744 1 92 VAL MG1 1 93 SER H . . 3.950 3.010 2.226 3.418 . 0 0 "[ . 1 . 2]" 1
1745 1 92 VAL MG1 1 94 PHE H . . 3.440 3.209 3.013 3.513 0.073 8 0 "[ . 1 . 2]" 1
1746 1 92 VAL MG1 1 95 CYS H . . 5.500 4.563 4.299 4.778 . 0 0 "[ . 1 . 2]" 1
1747 1 92 VAL MG1 1 95 CYS HB2 . . 4.630 4.229 3.966 4.544 . 0 0 "[ . 1 . 2]" 1
1748 1 92 VAL MG1 1 95 CYS HB3 . . 3.760 2.894 2.642 3.208 . 0 0 "[ . 1 . 2]" 1
1749 1 92 VAL MG1 1 107 TYR HB2 . . 3.820 2.636 2.472 2.819 . 0 0 "[ . 1 . 2]" 1
1750 1 92 VAL MG1 1 107 TYR HB3 . . 4.320 3.854 3.721 3.927 . 0 0 "[ . 1 . 2]" 1
1751 1 92 VAL MG1 1 107 TYR QD . . 3.580 3.162 2.885 3.440 . 0 0 "[ . 1 . 2]" 1
1752 1 92 VAL MG1 1 107 TYR QE . . 4.530 4.326 4.034 4.597 0.067 11 0 "[ . 1 . 2]" 1
1753 1 92 VAL MG1 1 108 ILE H . . 4.360 4.090 3.841 4.425 0.065 4 0 "[ . 1 . 2]" 1
1754 1 92 VAL MG1 1 109 CYS HA . . 4.980 4.463 4.122 4.828 . 0 0 "[ . 1 . 2]" 1
1755 1 92 VAL MG1 1 140 PHE QE . . 3.980 2.187 1.866 2.480 . 0 0 "[ . 1 . 2]" 1
1756 1 92 VAL MG1 1 140 PHE HZ . . 3.730 3.731 3.593 3.790 0.060 8 0 "[ . 1 . 2]" 1
1757 1 92 VAL MG2 1 93 SER H . . 4.480 4.141 3.990 4.227 . 0 0 "[ . 1 . 2]" 1
1758 1 92 VAL MG2 1 94 PHE H . . 5.260 5.161 5.105 5.191 . 0 0 "[ . 1 . 2]" 1
1759 1 92 VAL MG2 1 107 TYR QD . . 3.810 2.831 2.465 3.155 . 0 0 "[ . 1 . 2]" 1
1760 1 92 VAL MG2 1 107 TYR QE . . 3.870 2.786 2.449 3.212 . 0 0 "[ . 1 . 2]" 1
1761 1 92 VAL MG2 1 109 CYS HA . . 4.750 4.065 3.782 4.537 . 0 0 "[ . 1 . 2]" 1
1762 1 92 VAL MG2 1 109 CYS HB2 . . 4.240 3.115 2.723 3.477 . 0 0 "[ . 1 . 2]" 1
1763 1 92 VAL MG2 1 109 CYS HB3 . . 4.090 2.593 2.020 4.162 0.072 11 0 "[ . 1 . 2]" 1
1764 1 93 SER H 1 94 PHE H . . 3.740 2.291 1.873 2.616 . 0 0 "[ . 1 . 2]" 1
1765 1 93 SER H 1 108 ILE H . . 5.500 4.486 4.033 4.821 . 0 0 "[ . 1 . 2]" 1
1766 1 93 SER H 1 109 CYS HA . . 4.040 2.550 2.106 3.092 . 0 0 "[ . 1 . 2]" 1
1767 1 93 SER H 1 109 CYS HB2 . . 5.420 4.286 3.534 4.701 . 0 0 "[ . 1 . 2]" 1
1768 1 93 SER H 1 109 CYS HB3 . . 5.470 4.009 3.248 5.393 . 0 0 "[ . 1 . 2]" 1
1769 1 93 SER HB2 1 108 ILE MG . . 4.780 3.800 2.339 4.912 0.132 18 0 "[ . 1 . 2]" 1
1770 1 93 SER HB2 1 117 TRP HZ3 . . 4.610 3.836 1.994 4.543 . 0 0 "[ . 1 . 2]" 1
1771 1 93 SER HB3 1 94 PHE H . . 4.380 3.117 2.428 3.820 . 0 0 "[ . 1 . 2]" 1
1772 1 93 SER HB3 1 108 ILE MG . . 4.890 3.879 2.679 4.859 . 0 0 "[ . 1 . 2]" 1
1773 1 93 SER HB3 1 117 TRP HZ3 . . 4.490 4.196 2.130 4.678 0.188 12 0 "[ . 1 . 2]" 1
1774 1 94 PHE H 1 94 PHE QD . . 4.970 4.296 4.122 4.368 . 0 0 "[ . 1 . 2]" 1
1775 1 94 PHE H 1 108 ILE H . . 4.410 3.219 2.916 3.453 . 0 0 "[ . 1 . 2]" 1
1776 1 94 PHE H 1 108 ILE HA . . 5.190 4.917 4.666 5.084 . 0 0 "[ . 1 . 2]" 1
1777 1 94 PHE H 1 108 ILE HB . . 4.510 2.759 2.506 3.047 . 0 0 "[ . 1 . 2]" 1
1778 1 94 PHE H 1 108 ILE MD . . 5.000 4.413 4.095 4.922 . 0 0 "[ . 1 . 2]" 1
1779 1 94 PHE H 1 109 CYS HA . . 4.850 4.385 3.869 4.829 . 0 0 "[ . 1 . 2]" 1
1780 1 94 PHE HB2 1 95 CYS H . . 4.970 4.049 3.934 4.132 . 0 0 "[ . 1 . 2]" 1
1781 1 94 PHE HB2 1 108 ILE H . . 5.390 5.023 4.554 5.281 . 0 0 "[ . 1 . 2]" 1
1782 1 94 PHE HB2 1 108 ILE HB . . 4.550 4.008 3.555 4.542 . 0 0 "[ . 1 . 2]" 1
1783 1 94 PHE HB2 1 108 ILE MD . . 4.120 4.059 3.699 4.206 0.086 12 0 "[ . 1 . 2]" 1
1784 1 94 PHE HB3 1 95 CYS H . . 5.220 3.823 3.695 3.996 . 0 0 "[ . 1 . 2]" 1
1785 1 94 PHE HB3 1 108 ILE H . . 5.040 3.477 2.935 3.820 . 0 0 "[ . 1 . 2]" 1
1786 1 94 PHE HB3 1 108 ILE HB . . 4.500 2.638 2.080 3.233 . 0 0 "[ . 1 . 2]" 1
1787 1 94 PHE HB3 1 108 ILE MD . . 3.900 2.922 2.653 3.195 . 0 0 "[ . 1 . 2]" 1
1788 1 94 PHE HB3 1 108 ILE MG . . 4.420 3.943 3.456 4.482 0.062 20 0 "[ . 1 . 2]" 1
1789 1 94 PHE QD 1 95 CYS H . . 4.600 2.767 2.179 3.207 . 0 0 "[ . 1 . 2]" 1
1790 1 94 PHE QD 1 96 ALA MB . . 4.240 3.647 3.242 3.928 . 0 0 "[ . 1 . 2]" 1
1791 1 94 PHE QD 1 108 ILE MD . . 3.920 2.879 2.185 3.465 . 0 0 "[ . 1 . 2]" 1
1792 1 94 PHE QE 1 96 ALA MB . . 4.010 2.340 1.830 2.835 . 0 0 "[ . 1 . 2]" 1
1793 1 94 PHE HZ 1 95 CYS H . . 5.040 4.815 4.605 4.943 . 0 0 "[ . 1 . 2]" 1
1794 1 94 PHE HZ 1 96 ALA MB . . 3.250 2.648 1.973 3.195 . 0 0 "[ . 1 . 2]" 1
1795 1 95 CYS H 1 96 ALA H . . 5.170 3.997 3.874 4.160 . 0 0 "[ . 1 . 2]" 1
1796 1 95 CYS H 1 96 ALA MB . . 4.410 4.083 3.871 4.388 . 0 0 "[ . 1 . 2]" 1
1797 1 95 CYS HA 1 96 ALA MB . . 4.310 3.958 3.859 4.029 . 0 0 "[ . 1 . 2]" 1
1798 1 95 CYS HA 1 107 TYR HA . . 3.850 2.236 2.004 2.459 . 0 0 "[ . 1 . 2]" 1
1799 1 95 CYS HA 1 107 TYR HB3 . . 4.810 3.317 2.785 3.813 . 0 0 "[ . 1 . 2]" 1
1800 1 95 CYS HA 1 108 ILE H . . 4.690 3.218 3.015 3.512 . 0 0 "[ . 1 . 2]" 1
1801 1 95 CYS HB2 1 96 ALA H . . 4.300 3.539 3.269 3.706 . 0 0 "[ . 1 . 2]" 1
1802 1 95 CYS HB2 1 105 PHE QE . . 3.710 2.352 2.105 2.686 . 0 0 "[ . 1 . 2]" 1
1803 1 95 CYS HB2 1 105 PHE HZ . . 4.730 3.385 2.771 3.756 . 0 0 "[ . 1 . 2]" 1
1804 1 95 CYS HB2 1 107 TYR HA . . 4.460 3.903 3.345 4.229 . 0 0 "[ . 1 . 2]" 1
1805 1 95 CYS HB2 1 107 TYR HB2 . . 4.740 3.368 3.128 3.552 . 0 0 "[ . 1 . 2]" 1
1806 1 95 CYS HB2 1 107 TYR QD . . 4.970 4.673 4.337 5.044 0.074 5 0 "[ . 1 . 2]" 1
1807 1 95 CYS HB2 1 108 ILE H . . 5.440 5.246 4.976 5.485 0.045 4 0 "[ . 1 . 2]" 1
1808 1 95 CYS HB2 1 136 VAL MG2 . . 4.410 2.836 2.024 3.392 . 0 0 "[ . 1 . 2]" 1
1809 1 95 CYS HB3 1 96 ALA H . . 4.240 4.247 4.051 4.323 0.083 3 0 "[ . 1 . 2]" 1
1810 1 95 CYS HB3 1 105 PHE QE . . 3.840 3.765 3.515 3.904 0.064 5 0 "[ . 1 . 2]" 1
1811 1 95 CYS HB3 1 105 PHE HZ . . 4.690 3.924 3.656 4.349 . 0 0 "[ . 1 . 2]" 1
1812 1 95 CYS HB3 1 107 TYR HA . . 4.230 3.374 2.973 3.653 . 0 0 "[ . 1 . 2]" 1
1813 1 95 CYS HB3 1 107 TYR HB2 . . 4.140 2.047 1.981 2.261 . 0 0 "[ . 1 . 2]" 1
1814 1 95 CYS HB3 1 107 TYR QD . . 4.810 4.080 3.839 4.252 . 0 0 "[ . 1 . 2]" 1
1815 1 95 CYS HB3 1 136 VAL MG2 . . 3.930 2.787 2.475 3.268 . 0 0 "[ . 1 . 2]" 1
1816 1 96 ALA H 1 96 ALA MB . . 3.590 2.478 2.328 2.622 . 0 0 "[ . 1 . 2]" 1
1817 1 96 ALA H 1 97 PRO HD2 . . 5.190 4.977 4.959 4.989 . 0 0 "[ . 1 . 2]" 1
1818 1 96 ALA H 1 105 PHE QE . . 4.690 4.299 3.691 4.600 . 0 0 "[ . 1 . 2]" 1
1819 1 96 ALA MB 1 97 PRO HD2 . . 3.460 2.234 2.135 2.379 . 0 0 "[ . 1 . 2]" 1
1820 1 96 ALA MB 1 97 PRO HD3 . . 3.260 2.983 2.896 3.070 . 0 0 "[ . 1 . 2]" 1
1821 1 96 ALA MB 1 97 PRO QG . . 3.840 3.920 3.882 3.979 0.139 20 0 "[ . 1 . 2]" 1
1822 1 97 PRO HA 1 105 PHE HA . . 3.860 3.457 2.911 3.799 . 0 0 "[ . 1 . 2]" 1
1823 1 97 PRO HA 1 105 PHE HB2 . . 4.620 4.068 3.341 4.672 0.052 4 0 "[ . 1 . 2]" 1
1824 1 97 PRO HA 1 105 PHE QD . . 4.450 3.007 2.329 3.429 . 0 0 "[ . 1 . 2]" 1
1825 1 97 PRO HA 1 106 SER H . . 4.490 4.169 3.638 4.405 . 0 0 "[ . 1 . 2]" 1
1826 1 97 PRO HB2 1 98 ASP H . . 4.070 1.966 1.937 2.053 . 0 0 "[ . 1 . 2]" 1
1827 1 97 PRO HB2 1 130 GLU HA . . 4.490 3.694 3.061 4.481 . 0 0 "[ . 1 . 2]" 1
1828 1 97 PRO QG 1 98 ASP H . . 4.760 3.645 2.221 3.881 . 0 0 "[ . 1 . 2]" 1
1829 1 97 PRO QG 1 130 GLU HA . . 4.010 3.635 2.873 4.033 0.023 18 0 "[ . 1 . 2]" 1
1830 1 97 PRO QG 1 133 SER HB2 . . 4.480 3.792 3.139 4.565 0.085 8 0 "[ . 1 . 2]" 1
1831 1 97 PRO QG 1 133 SER HB3 . . 4.500 3.657 2.842 4.329 . 0 0 "[ . 1 . 2]" 1
1832 1 98 ASP HB2 1 99 ARG H . . 4.320 2.611 1.982 4.157 . 0 0 "[ . 1 . 2]" 1
1833 1 98 ASP HB2 1 100 ASN H . . 5.500 3.857 2.532 5.413 . 0 0 "[ . 1 . 2]" 1
1834 1 98 ASP HB2 1 104 ALA MB . . 3.390 2.959 2.494 3.437 0.047 1 0 "[ . 1 . 2]" 1
1835 1 98 ASP HB3 1 99 ARG H . . 4.680 3.274 2.007 3.740 . 0 0 "[ . 1 . 2]" 1
1836 1 98 ASP HB3 1 100 ASN H . . 5.240 4.557 2.828 5.369 0.129 7 0 "[ . 1 . 2]" 1
1837 1 98 ASP HB3 1 104 ALA MB . . 3.330 2.980 2.292 3.440 0.110 18 0 "[ . 1 . 2]" 1
1838 1 99 ARG H 1 99 ARG QB . . 3.750 2.807 2.342 3.478 . 0 0 "[ . 1 . 2]" 1
1839 1 99 ARG H 1 99 ARG QD . . 5.500 4.818 4.035 5.391 . 0 0 "[ . 1 . 2]" 1
1840 1 99 ARG H 1 99 ARG QG . . 3.830 3.414 1.949 3.925 0.095 2 0 "[ . 1 . 2]" 1
1841 1 99 ARG H 1 100 ASN H . . 4.150 2.020 1.874 2.658 . 0 0 "[ . 1 . 2]" 1
1842 1 99 ARG H 1 101 PHE H . . 4.310 3.258 2.600 3.671 . 0 0 "[ . 1 . 2]" 1
1843 1 99 ARG H 1 101 PHE HB2 . . 5.500 4.991 4.164 5.505 0.005 20 0 "[ . 1 . 2]" 1
1844 1 99 ARG HA 1 99 ARG QG . . 3.220 2.499 1.973 3.337 0.117 12 0 "[ . 1 . 2]" 1
1845 1 99 ARG QB 1 100 ASN H . . 4.640 3.060 2.498 4.100 . 0 0 "[ . 1 . 2]" 1
1846 1 100 ASN H 1 100 ASN HB2 . . 4.080 2.756 2.528 3.001 . 0 0 "[ . 1 . 2]" 1
1847 1 100 ASN H 1 100 ASN HB3 . . 4.120 3.646 3.530 3.955 . 0 0 "[ . 1 . 2]" 1
1848 1 100 ASN H 1 100 ASN HD21 . . 5.500 3.384 2.623 3.992 . 0 0 "[ . 1 . 2]" 1
1849 1 100 ASN H 1 100 ASN HD22 . . 5.140 3.852 3.200 4.909 . 0 0 "[ . 1 . 2]" 1
1850 1 100 ASN H 1 101 PHE H . . 3.420 2.526 1.886 3.078 . 0 0 "[ . 1 . 2]" 1
1851 1 100 ASN H 1 101 PHE QD . . 4.670 3.516 3.089 3.983 . 0 0 "[ . 1 . 2]" 1
1852 1 100 ASN HA 1 101 PHE QD . . 5.020 5.027 4.951 5.070 0.050 5 0 "[ . 1 . 2]" 1
1853 1 100 ASN HB2 1 101 PHE QD . . 4.300 2.836 2.641 3.027 . 0 0 "[ . 1 . 2]" 1
1854 1 100 ASN HB3 1 100 ASN HD22 . . 4.130 3.927 3.753 4.030 . 0 0 "[ . 1 . 2]" 1
1855 1 100 ASN HB3 1 101 PHE H . . 4.390 3.707 3.530 4.166 . 0 0 "[ . 1 . 2]" 1
1856 1 100 ASN HB3 1 101 PHE QD . . 4.160 4.321 4.192 4.422 0.262 20 0 "[ . 1 . 2]" 1
1857 1 100 ASN HD21 1 101 PHE QD . . 5.500 3.566 2.880 4.161 . 0 0 "[ . 1 . 2]" 1
1858 1 100 ASN HD21 1 101 PHE HZ . . 4.560 4.106 3.645 4.567 0.007 2 0 "[ . 1 . 2]" 1
1859 1 100 ASN HD22 1 101 PHE H . . 5.500 5.295 4.941 5.528 0.028 18 0 "[ . 1 . 2]" 1
1860 1 101 PHE H 1 101 PHE HB2 . . 4.160 2.545 2.488 2.624 . 0 0 "[ . 1 . 2]" 1
1861 1 101 PHE H 1 101 PHE HB3 . . 3.880 3.539 3.511 3.629 . 0 0 "[ . 1 . 2]" 1
1862 1 101 PHE H 1 101 PHE QD . . 3.830 1.982 1.930 2.418 . 0 0 "[ . 1 . 2]" 1
1863 1 101 PHE H 1 104 ALA MB . . 4.180 3.566 3.184 4.024 . 0 0 "[ . 1 . 2]" 1
1864 1 101 PHE H 1 123 MET ME . . 4.810 4.874 4.722 4.953 0.143 18 0 "[ . 1 . 2]" 1
1865 1 101 PHE HA 1 101 PHE QD . . 3.740 3.130 3.012 3.173 . 0 0 "[ . 1 . 2]" 1
1866 1 101 PHE HA 1 102 ASP HB2 . . 4.860 4.464 4.176 4.863 0.003 17 0 "[ . 1 . 2]" 1
1867 1 101 PHE HA 1 103 ARG H . . 4.920 4.459 4.115 4.726 . 0 0 "[ . 1 . 2]" 1
1868 1 101 PHE HA 1 104 ALA MB . . 4.600 4.409 4.236 4.603 0.003 20 0 "[ . 1 . 2]" 1
1869 1 101 PHE HA 1 123 MET ME . . 4.740 4.173 3.979 4.406 . 0 0 "[ . 1 . 2]" 1
1870 1 101 PHE HB2 1 102 ASP H . . 4.530 3.059 2.677 3.536 . 0 0 "[ . 1 . 2]" 1
1871 1 101 PHE HB2 1 103 ARG H . . 4.830 3.160 2.668 3.529 . 0 0 "[ . 1 . 2]" 1
1872 1 101 PHE HB2 1 104 ALA H . . 4.560 3.131 2.897 3.397 . 0 0 "[ . 1 . 2]" 1
1873 1 101 PHE HB2 1 104 ALA MB . . 3.450 1.933 1.806 2.075 . 0 0 "[ . 1 . 2]" 1
1874 1 101 PHE HB2 1 123 MET ME . . 3.430 2.948 2.738 3.088 . 0 0 "[ . 1 . 2]" 1
1875 1 101 PHE HB3 1 102 ASP H . . 3.650 2.288 1.979 2.650 . 0 0 "[ . 1 . 2]" 1
1876 1 101 PHE HB3 1 103 ARG H . . 4.440 2.947 2.629 3.120 . 0 0 "[ . 1 . 2]" 1
1877 1 101 PHE HB3 1 104 ALA H . . 4.480 4.342 4.065 4.422 . 0 0 "[ . 1 . 2]" 1
1878 1 101 PHE HB3 1 104 ALA MB . . 3.380 2.620 2.277 2.909 . 0 0 "[ . 1 . 2]" 1
1879 1 101 PHE HB3 1 123 MET ME . . 3.600 2.212 2.038 2.339 . 0 0 "[ . 1 . 2]" 1
1880 1 101 PHE QD 1 102 ASP H . . 4.340 4.117 3.973 4.228 . 0 0 "[ . 1 . 2]" 1
1881 1 101 PHE QD 1 103 ARG H . . 4.910 4.782 4.560 4.947 0.037 20 0 "[ . 1 . 2]" 1
1882 1 101 PHE QD 1 104 ALA MB . . 3.830 2.354 1.978 2.822 . 0 0 "[ . 1 . 2]" 1
1883 1 101 PHE QD 1 123 MET ME . . 3.490 2.752 2.444 3.088 . 0 0 "[ . 1 . 2]" 1
1884 1 102 ASP H 1 102 ASP HB2 . . 3.870 2.309 2.005 3.044 . 0 0 "[ . 1 . 2]" 1
1885 1 102 ASP H 1 103 ARG H . . 4.120 2.155 1.897 2.705 . 0 0 "[ . 1 . 2]" 1
1886 1 102 ASP H 1 123 MET ME . . 4.610 3.230 2.722 3.862 . 0 0 "[ . 1 . 2]" 1
1887 1 102 ASP HB2 1 103 ARG H . . 4.710 3.211 2.699 4.140 . 0 0 "[ . 1 . 2]" 1
1888 1 102 ASP HB2 1 103 ARG HG2 . . 4.530 3.817 3.178 5.080 0.550 9 1 "[ . +1 . 2]" 1
1889 1 102 ASP HB3 1 103 ARG H . . 4.570 3.145 2.588 4.009 . 0 0 "[ . 1 . 2]" 1
1890 1 103 ARG H 1 103 ARG HB2 . . 4.140 3.868 3.687 4.036 . 0 0 "[ . 1 . 2]" 1
1891 1 103 ARG H 1 103 ARG HB3 . . 3.660 3.421 3.237 3.612 . 0 0 "[ . 1 . 2]" 1
1892 1 103 ARG H 1 103 ARG QD . . 4.170 4.125 3.714 4.258 0.088 20 0 "[ . 1 . 2]" 1
1893 1 103 ARG H 1 103 ARG HG2 . . 3.390 2.138 1.946 2.514 . 0 0 "[ . 1 . 2]" 1
1894 1 103 ARG H 1 104 ALA H . . 3.660 3.292 3.088 3.487 . 0 0 "[ . 1 . 2]" 1
1895 1 103 ARG H 1 104 ALA MB . . 4.380 3.479 3.278 3.695 . 0 0 "[ . 1 . 2]" 1
1896 1 103 ARG H 1 123 MET ME . . 4.230 2.587 2.286 2.974 . 0 0 "[ . 1 . 2]" 1
1897 1 103 ARG H 1 124 ALA H . . 5.500 5.420 4.940 5.530 0.030 15 0 "[ . 1 . 2]" 1
1898 1 103 ARG H 1 124 ALA MB . . 5.420 4.909 4.670 5.014 . 0 0 "[ . 1 . 2]" 1
1899 1 103 ARG H 1 129 GLY H . . 5.200 4.880 4.624 5.088 . 0 0 "[ . 1 . 2]" 1
1900 1 103 ARG HA 1 103 ARG QD . . 4.610 4.273 4.161 4.589 . 0 0 "[ . 1 . 2]" 1
1901 1 103 ARG HA 1 103 ARG HG2 . . 3.700 3.574 3.547 3.592 . 0 0 "[ . 1 . 2]" 1
1902 1 103 ARG HA 1 123 MET ME . . 4.670 4.267 4.030 4.839 0.169 18 0 "[ . 1 . 2]" 1
1903 1 103 ARG HA 1 124 ALA H . . 4.820 4.411 4.053 4.757 . 0 0 "[ . 1 . 2]" 1
1904 1 103 ARG HA 1 129 GLY H . . 3.490 2.183 1.949 2.515 . 0 0 "[ . 1 . 2]" 1
1905 1 103 ARG HA 1 129 GLY HA3 . . 4.490 3.689 3.209 4.347 . 0 0 "[ . 1 . 2]" 1
1906 1 103 ARG HB2 1 104 ALA H . . 4.330 4.258 4.046 4.352 0.022 8 0 "[ . 1 . 2]" 1
1907 1 103 ARG HB2 1 124 ALA H . . 4.210 2.839 2.575 3.228 . 0 0 "[ . 1 . 2]" 1
1908 1 103 ARG HB2 1 124 ALA MB . . 3.700 1.825 1.768 1.928 . 0 0 "[ . 1 . 2]" 1
1909 1 103 ARG HB2 1 129 GLY H . . 5.130 3.740 2.586 4.777 . 0 0 "[ . 1 . 2]" 1
1910 1 103 ARG HB3 1 103 ARG QD . . 2.720 2.185 2.015 2.626 . 0 0 "[ . 1 . 2]" 1
1911 1 103 ARG HB3 1 124 ALA H . . 4.570 4.505 4.299 4.645 0.075 18 0 "[ . 1 . 2]" 1
1912 1 103 ARG QD 1 124 ALA H . . 4.780 4.371 3.940 4.754 . 0 0 "[ . 1 . 2]" 1
1913 1 103 ARG QD 1 124 ALA MB . . 4.090 2.712 2.020 3.530 . 0 0 "[ . 1 . 2]" 1
1914 1 103 ARG HG3 1 104 ALA H . . 4.920 4.974 4.793 5.012 0.092 14 0 "[ . 1 . 2]" 1
1915 1 104 ALA H 1 104 ALA MB . . 3.220 2.511 2.361 2.582 . 0 0 "[ . 1 . 2]" 1
1916 1 104 ALA H 1 105 PHE H . . 4.650 3.998 3.853 4.349 . 0 0 "[ . 1 . 2]" 1
1917 1 104 ALA H 1 123 MET HA . . 5.260 4.918 4.780 5.179 . 0 0 "[ . 1 . 2]" 1
1918 1 104 ALA H 1 123 MET ME . . 4.290 3.562 3.205 4.374 0.084 18 0 "[ . 1 . 2]" 1
1919 1 104 ALA H 1 129 GLY H . . 5.230 3.368 2.884 3.867 . 0 0 "[ . 1 . 2]" 1
1920 1 104 ALA H 1 129 GLY HA3 . . 4.980 3.364 2.916 3.733 . 0 0 "[ . 1 . 2]" 1
1921 1 104 ALA HA 1 105 PHE H . . 3.400 2.217 2.187 2.239 . 0 0 "[ . 1 . 2]" 1
1922 1 104 ALA HA 1 123 MET H . . 5.410 4.914 4.789 5.136 . 0 0 "[ . 1 . 2]" 1
1923 1 104 ALA HA 1 123 MET HA . . 3.650 2.513 2.341 2.623 . 0 0 "[ . 1 . 2]" 1
1924 1 104 ALA HA 1 123 MET ME . . 4.250 2.742 2.284 3.495 . 0 0 "[ . 1 . 2]" 1
1925 1 104 ALA HA 1 123 MET HG2 . . 4.770 3.001 2.840 4.164 . 0 0 "[ . 1 . 2]" 1
1926 1 104 ALA HA 1 123 MET HG3 . . 4.600 4.682 4.577 4.773 0.173 18 0 "[ . 1 . 2]" 1
1927 1 104 ALA HA 1 124 ALA H . . 4.360 3.523 3.237 3.677 . 0 0 "[ . 1 . 2]" 1
1928 1 104 ALA MB 1 105 PHE H . . 3.340 3.492 3.027 3.588 0.248 19 0 "[ . 1 . 2]" 1
1929 1 104 ALA MB 1 123 MET HA . . 3.830 3.776 3.540 3.902 0.072 6 0 "[ . 1 . 2]" 1
1930 1 104 ALA MB 1 123 MET ME . . 3.240 1.850 1.694 2.236 . 0 0 "[ . 1 . 2]" 1
1931 1 104 ALA MB 1 123 MET HG2 . . 4.540 3.042 2.689 3.863 . 0 0 "[ . 1 . 2]" 1
1932 1 104 ALA MB 1 123 MET HG3 . . 4.240 4.199 3.939 4.334 0.094 8 0 "[ . 1 . 2]" 1
1933 1 104 ALA MB 1 124 ALA H . . 4.900 4.879 4.512 4.997 0.097 1 0 "[ . 1 . 2]" 1
1934 1 105 PHE H 1 105 PHE QD . . 4.720 3.899 3.801 4.038 . 0 0 "[ . 1 . 2]" 1
1935 1 105 PHE H 1 106 SER H . . 5.170 4.426 4.259 4.534 . 0 0 "[ . 1 . 2]" 1
1936 1 105 PHE H 1 122 PHE H . . 4.430 2.969 2.627 3.171 . 0 0 "[ . 1 . 2]" 1
1937 1 105 PHE H 1 122 PHE HA . . 5.410 4.850 4.608 5.009 . 0 0 "[ . 1 . 2]" 1
1938 1 105 PHE H 1 122 PHE HB2 . . 4.250 3.568 3.331 3.923 . 0 0 "[ . 1 . 2]" 1
1939 1 105 PHE H 1 122 PHE HB3 . . 5.080 4.752 4.546 5.007 . 0 0 "[ . 1 . 2]" 1
1940 1 105 PHE H 1 122 PHE QD . . 5.230 4.789 4.484 5.103 . 0 0 "[ . 1 . 2]" 1
1941 1 105 PHE H 1 123 MET H . . 5.160 4.935 4.794 5.051 . 0 0 "[ . 1 . 2]" 1
1942 1 105 PHE H 1 123 MET HA . . 3.940 3.398 3.141 3.598 . 0 0 "[ . 1 . 2]" 1
1943 1 105 PHE H 1 123 MET ME . . 5.100 4.652 4.291 5.137 0.037 18 0 "[ . 1 . 2]" 1
1944 1 105 PHE H 1 124 ALA H . . 5.210 3.705 3.480 4.470 . 0 0 "[ . 1 . 2]" 1
1945 1 105 PHE HA 1 105 PHE QD . . 3.990 2.793 2.563 3.070 . 0 0 "[ . 1 . 2]" 1
1946 1 105 PHE HA 1 106 SER H . . 3.600 2.230 2.193 2.330 . 0 0 "[ . 1 . 2]" 1
1947 1 105 PHE HB2 1 106 SER H . . 4.640 4.107 3.860 4.330 . 0 0 "[ . 1 . 2]" 1
1948 1 105 PHE HB2 1 129 GLY HA2 . . 4.420 2.273 1.993 2.702 . 0 0 "[ . 1 . 2]" 1
1949 1 105 PHE HB2 1 129 GLY HA3 . . 4.340 2.878 2.203 3.274 . 0 0 "[ . 1 . 2]" 1
1950 1 105 PHE HB2 1 132 LEU HB2 . . 4.700 2.547 2.180 3.117 . 0 0 "[ . 1 . 2]" 1
1951 1 105 PHE HB2 1 132 LEU MD1 . . 4.690 3.453 2.882 4.483 . 0 0 "[ . 1 . 2]" 1
1952 1 105 PHE HB2 1 132 LEU MD2 . . 4.020 3.137 2.800 3.466 . 0 0 "[ . 1 . 2]" 1
1953 1 105 PHE HB3 1 106 SER H . . 4.910 4.401 4.193 4.557 . 0 0 "[ . 1 . 2]" 1
1954 1 105 PHE HB3 1 122 PHE HB3 . . 4.890 4.364 3.925 4.679 . 0 0 "[ . 1 . 2]" 1
1955 1 105 PHE HB3 1 122 PHE QD . . 4.780 4.362 3.983 4.804 0.024 18 0 "[ . 1 . 2]" 1
1956 1 105 PHE HB3 1 129 GLY HA2 . . 4.850 3.227 2.712 3.695 . 0 0 "[ . 1 . 2]" 1
1957 1 105 PHE HB3 1 129 GLY HA3 . . 4.730 4.188 3.468 4.767 0.037 4 0 "[ . 1 . 2]" 1
1958 1 105 PHE HB3 1 132 LEU MD2 . . 3.840 2.177 1.957 2.488 . 0 0 "[ . 1 . 2]" 1
1959 1 105 PHE QD 1 106 SER H . . 4.330 3.049 2.761 3.366 . 0 0 "[ . 1 . 2]" 1
1960 1 105 PHE QD 1 106 SER HA . . 4.860 4.089 3.785 4.336 . 0 0 "[ . 1 . 2]" 1
1961 1 105 PHE QD 1 122 PHE HB2 . . 4.350 2.173 2.005 2.372 . 0 0 "[ . 1 . 2]" 1
1962 1 105 PHE QD 1 122 PHE HB3 . . 4.720 3.562 3.360 3.767 . 0 0 "[ . 1 . 2]" 1
1963 1 105 PHE QD 1 122 PHE QD . . 3.930 2.987 2.156 3.699 . 0 0 "[ . 1 . 2]" 1
1964 1 105 PHE QD 1 129 GLY HA3 . . 5.130 4.481 4.026 4.907 . 0 0 "[ . 1 . 2]" 1
1965 1 105 PHE QD 1 132 LEU HB2 . . 4.560 3.481 2.995 3.949 . 0 0 "[ . 1 . 2]" 1
1966 1 105 PHE QD 1 132 LEU HB3 . . 4.660 2.840 2.542 3.146 . 0 0 "[ . 1 . 2]" 1
1967 1 105 PHE QD 1 132 LEU MD1 . . 4.530 4.246 3.993 4.558 0.028 7 0 "[ . 1 . 2]" 1
1968 1 105 PHE QD 1 132 LEU MD2 . . 3.520 2.148 1.938 2.487 . 0 0 "[ . 1 . 2]" 1
1969 1 105 PHE QD 1 132 LEU HG . . 4.870 4.529 4.167 4.873 0.003 1 0 "[ . 1 . 2]" 1
1970 1 105 PHE QD 1 133 SER H . . 4.950 3.876 3.335 4.314 . 0 0 "[ . 1 . 2]" 1
1971 1 105 PHE QD 1 133 SER HA . . 4.050 3.528 3.308 3.795 . 0 0 "[ . 1 . 2]" 1
1972 1 105 PHE QD 1 133 SER HB3 . . 3.730 3.429 2.810 3.902 0.172 9 0 "[ . 1 . 2]" 1
1973 1 105 PHE QD 1 136 VAL MG1 . . 4.890 3.925 3.655 4.827 . 0 0 "[ . 1 . 2]" 1
1974 1 105 PHE QE 1 122 PHE HB2 . . 4.370 4.092 3.760 4.345 . 0 0 "[ . 1 . 2]" 1
1975 1 105 PHE QE 1 133 SER HA . . 3.630 2.546 2.136 2.879 . 0 0 "[ . 1 . 2]" 1
1976 1 105 PHE QE 1 133 SER HB2 . . 3.980 3.464 2.478 3.797 . 0 0 "[ . 1 . 2]" 1
1977 1 105 PHE QE 1 136 VAL H . . 5.170 4.661 4.390 5.028 . 0 0 "[ . 1 . 2]" 1
1978 1 105 PHE QE 1 136 VAL HB . . 5.010 3.506 3.169 4.364 . 0 0 "[ . 1 . 2]" 1
1979 1 105 PHE QE 1 136 VAL MG1 . . 3.220 2.241 1.958 3.102 . 0 0 "[ . 1 . 2]" 1
1980 1 105 PHE QE 1 136 VAL MG2 . . 4.390 3.201 2.122 3.572 . 0 0 "[ . 1 . 2]" 1
1981 1 105 PHE HZ 1 136 VAL HB . . 4.390 2.596 2.124 3.780 . 0 0 "[ . 1 . 2]" 1
1982 1 105 PHE HZ 1 136 VAL MG1 . . 4.130 2.199 1.930 2.441 . 0 0 "[ . 1 . 2]" 1
1983 1 105 PHE HZ 1 136 VAL MG2 . . 3.760 2.358 1.942 2.638 . 0 0 "[ . 1 . 2]" 1
1984 1 106 SER H 1 107 TYR H . . 5.230 4.396 4.337 4.450 . 0 0 "[ . 1 . 2]" 1
1985 1 106 SER HA 1 107 TYR H . . 3.450 2.399 2.322 2.501 . 0 0 "[ . 1 . 2]" 1
1986 1 106 SER HA 1 120 HIS H . . 5.000 4.674 4.523 5.072 0.072 18 0 "[ . 1 . 2]" 1
1987 1 106 SER HA 1 121 CYS HA . . 3.780 2.106 1.991 2.275 . 0 0 "[ . 1 . 2]" 1
1988 1 106 SER HA 1 122 PHE H . . 4.550 3.382 3.157 3.609 . 0 0 "[ . 1 . 2]" 1
1989 1 106 SER HA 1 122 PHE QD . . 4.070 2.730 2.449 3.295 . 0 0 "[ . 1 . 2]" 1
1990 1 106 SER QB 1 107 TYR H . . 3.970 2.939 2.455 3.559 . 0 0 "[ . 1 . 2]" 1
1991 1 106 SER QB 1 119 CYS HG . . 4.160 2.877 2.158 3.831 . 0 0 "[ . 1 . 2]" 1
1992 1 106 SER QB 1 121 CYS HA . . 4.540 2.098 1.920 2.663 . 0 0 "[ . 1 . 2]" 1
1993 1 107 TYR H 1 107 TYR QD . . 4.510 3.140 3.015 3.290 . 0 0 "[ . 1 . 2]" 1
1994 1 107 TYR H 1 107 TYR QE . . 5.170 4.447 4.296 4.625 . 0 0 "[ . 1 . 2]" 1
1995 1 107 TYR H 1 108 ILE H . . 5.500 4.401 4.301 4.457 . 0 0 "[ . 1 . 2]" 1
1996 1 107 TYR H 1 119 CYS HG . . 4.700 3.838 2.879 4.619 . 0 0 "[ . 1 . 2]" 1
1997 1 107 TYR H 1 120 HIS H . . 4.030 2.846 2.559 3.172 . 0 0 "[ . 1 . 2]" 1
1998 1 107 TYR H 1 120 HIS HB3 . . 4.830 4.526 4.004 4.781 . 0 0 "[ . 1 . 2]" 1
1999 1 107 TYR H 1 121 CYS HA . . 4.440 3.748 3.601 3.946 . 0 0 "[ . 1 . 2]" 1
2000 1 107 TYR H 1 122 PHE QE . . 4.730 3.731 3.337 4.312 . 0 0 "[ . 1 . 2]" 1
2001 1 107 TYR HB2 1 108 ILE H . . 4.320 2.974 2.705 3.245 . 0 0 "[ . 1 . 2]" 1
2002 1 107 TYR HB3 1 108 ILE H . . 4.380 4.165 4.007 4.345 . 0 0 "[ . 1 . 2]" 1
2003 1 107 TYR QD 1 107 TYR HH . . 4.430 4.363 4.317 4.388 . 0 0 "[ . 1 . 2]" 1
2004 1 107 TYR QD 1 108 ILE H . . 4.260 3.288 3.101 3.436 . 0 0 "[ . 1 . 2]" 1
2005 1 107 TYR QD 1 108 ILE HA . . 4.150 3.423 3.264 3.497 . 0 0 "[ . 1 . 2]" 1
2006 1 107 TYR QD 1 108 ILE MG . . 4.300 4.705 4.612 4.799 0.499 15 0 "[ . 1 . 2]" 1
2007 1 107 TYR QD 1 109 CYS H . . 5.440 4.017 3.880 4.131 . 0 0 "[ . 1 . 2]" 1
2008 1 107 TYR QD 1 109 CYS HB2 . . 4.330 4.231 2.961 4.385 0.055 10 0 "[ . 1 . 2]" 1
2009 1 107 TYR QD 1 109 CYS HB3 . . 4.300 2.609 2.482 3.300 . 0 0 "[ . 1 . 2]" 1
2010 1 107 TYR QD 1 120 HIS H . . 5.410 3.712 3.350 4.065 . 0 0 "[ . 1 . 2]" 1
2011 1 107 TYR QD 1 122 PHE QE . . 3.590 2.839 2.005 3.181 . 0 0 "[ . 1 . 2]" 1
2012 1 107 TYR QD 1 122 PHE HZ . . 4.650 4.611 4.174 4.684 0.034 7 0 "[ . 1 . 2]" 1
2013 1 107 TYR QE 1 107 TYR HH . . 3.220 2.509 2.315 2.619 . 0 0 "[ . 1 . 2]" 1
2014 1 107 TYR QE 1 109 CYS H . . 5.120 4.552 4.317 4.920 . 0 0 "[ . 1 . 2]" 1
2015 1 107 TYR QE 1 109 CYS HB2 . . 4.230 3.374 2.384 3.960 . 0 0 "[ . 1 . 2]" 1
2016 1 107 TYR QE 1 109 CYS HB3 . . 3.920 2.202 1.988 2.710 . 0 0 "[ . 1 . 2]" 1
2017 1 107 TYR QE 1 120 HIS H . . 5.110 3.996 3.653 4.394 . 0 0 "[ . 1 . 2]" 1
2018 1 107 TYR QE 1 120 HIS HB2 . . 4.210 2.870 2.664 3.084 . 0 0 "[ . 1 . 2]" 1
2019 1 107 TYR QE 1 120 HIS HB3 . . 3.970 3.467 3.130 3.931 . 0 0 "[ . 1 . 2]" 1
2020 1 107 TYR QE 1 122 PHE QE . . 3.460 2.122 1.974 2.395 . 0 0 "[ . 1 . 2]" 1
2021 1 107 TYR QE 1 122 PHE HZ . . 3.620 2.519 2.333 2.787 . 0 0 "[ . 1 . 2]" 1
2022 1 107 TYR HH 1 120 HIS HB2 . . 4.860 2.612 2.153 3.389 . 0 0 "[ . 1 . 2]" 1
2023 1 107 TYR HH 1 120 HIS HD2 . . 3.820 3.389 2.525 3.809 . 0 0 "[ . 1 . 2]" 1
2024 1 107 TYR HH 1 120 HIS HE1 . . 5.140 4.412 3.616 4.841 . 0 0 "[ . 1 . 2]" 1
2025 1 107 TYR HH 1 122 PHE HZ . . 5.280 2.952 2.021 4.392 . 0 0 "[ . 1 . 2]" 1
2026 1 108 ILE H 1 108 ILE HB . . 4.070 2.441 2.276 2.554 . 0 0 "[ . 1 . 2]" 1
2027 1 108 ILE H 1 108 ILE MD . . 4.310 3.770 3.635 3.928 . 0 0 "[ . 1 . 2]" 1
2028 1 108 ILE H 1 108 ILE QG . . 4.730 2.360 2.109 2.755 . 0 0 "[ . 1 . 2]" 1
2029 1 108 ILE H 1 108 ILE MG . . 4.250 3.742 3.649 3.774 . 0 0 "[ . 1 . 2]" 1
2030 1 108 ILE H 1 109 CYS H . . 5.060 4.591 4.555 4.606 . 0 0 "[ . 1 . 2]" 1
2031 1 108 ILE HA 1 108 ILE MD . . 4.020 3.778 3.735 3.841 . 0 0 "[ . 1 . 2]" 1
2032 1 108 ILE HA 1 108 ILE MG . . 3.410 2.417 2.336 2.502 . 0 0 "[ . 1 . 2]" 1
2033 1 108 ILE HA 1 109 CYS H . . 3.540 2.301 2.279 2.334 . 0 0 "[ . 1 . 2]" 1
2034 1 108 ILE HA 1 118 ILE H . . 5.160 4.968 4.451 5.081 . 0 0 "[ . 1 . 2]" 1
2035 1 108 ILE HB 1 109 CYS H . . 4.850 3.976 3.830 4.123 . 0 0 "[ . 1 . 2]" 1
2036 1 108 ILE MD 1 108 ILE MG . . 3.060 1.919 1.852 2.166 . 0 0 "[ . 1 . 2]" 1
2037 1 108 ILE MD 1 109 CYS H . . 4.840 4.774 4.732 4.855 0.015 20 0 "[ . 1 . 2]" 1
2038 1 108 ILE MG 1 109 CYS H . . 3.540 2.039 1.909 2.277 . 0 0 "[ . 1 . 2]" 1
2039 1 108 ILE MG 1 109 CYS HA . . 4.580 3.385 3.218 3.577 . 0 0 "[ . 1 . 2]" 1
2040 1 108 ILE MG 1 117 TRP HA . . 4.330 4.297 3.890 4.487 0.157 20 0 "[ . 1 . 2]" 1
2041 1 108 ILE MG 1 117 TRP HB2 . . 4.200 4.055 2.971 4.285 0.085 18 0 "[ . 1 . 2]" 1
2042 1 108 ILE MG 1 117 TRP HB3 . . 3.750 3.023 2.380 3.228 . 0 0 "[ . 1 . 2]" 1
2043 1 108 ILE MG 1 117 TRP HE3 . . 3.660 3.150 2.009 3.454 . 0 0 "[ . 1 . 2]" 1
2044 1 108 ILE MG 1 117 TRP HZ3 . . 4.840 4.486 3.249 4.857 0.017 18 0 "[ . 1 . 2]" 1
2045 1 108 ILE MG 1 118 ILE H . . 4.180 3.773 3.328 4.176 . 0 0 "[ . 1 . 2]" 1
2046 1 108 ILE MG 1 120 HIS H . . 5.500 5.316 5.036 5.506 0.006 10 0 "[ . 1 . 2]" 1
2047 1 109 CYS H 1 117 TRP HA . . 5.250 4.583 4.246 4.832 . 0 0 "[ . 1 . 2]" 1
2048 1 109 CYS H 1 118 ILE H . . 4.330 3.144 2.599 3.331 . 0 0 "[ . 1 . 2]" 1
2049 1 109 CYS H 1 118 ILE HB . . 4.890 4.659 4.192 4.981 0.091 16 0 "[ . 1 . 2]" 1
2050 1 109 CYS H 1 118 ILE MG . . 5.140 4.733 4.442 5.211 0.071 13 0 "[ . 1 . 2]" 1
2051 1 109 CYS H 1 119 CYS HA . . 4.850 3.263 2.946 3.946 . 0 0 "[ . 1 . 2]" 1
2052 1 109 CYS H 1 120 HIS H . . 5.270 4.780 4.572 5.119 . 0 0 "[ . 1 . 2]" 1
2053 1 109 CYS HB2 1 110 ARG H . . 4.120 2.819 2.362 3.932 . 0 0 "[ . 1 . 2]" 1
2054 1 109 CYS HB3 1 110 ARG H . . 4.400 4.072 3.820 4.301 . 0 0 "[ . 1 . 2]" 1
2055 1 110 ARG H 1 110 ARG HB2 . . 4.130 2.731 2.388 3.587 . 0 0 "[ . 1 . 2]" 1
2056 1 110 ARG H 1 117 TRP HE3 . . 5.310 4.241 3.166 4.754 . 0 0 "[ . 1 . 2]" 1
2057 1 110 ARG H 1 117 TRP HZ3 . . 5.100 4.673 3.224 4.994 . 0 0 "[ . 1 . 2]" 1
2058 1 110 ARG HA 1 110 ARG HD2 . . 4.310 4.070 2.732 4.945 0.635 4 1 "[ +. 1 . 2]" 1
2059 1 110 ARG HA 1 111 ASP HB2 . . 5.000 4.396 4.025 4.642 . 0 0 "[ . 1 . 2]" 1
2060 1 110 ARG HA 1 111 ASP HB3 . . 5.030 4.863 4.578 5.297 0.267 20 0 "[ . 1 . 2]" 1
2061 1 110 ARG HA 1 117 TRP HA . . 4.310 2.175 1.989 2.541 . 0 0 "[ . 1 . 2]" 1
2062 1 110 ARG HA 1 117 TRP HE3 . . 4.480 3.120 2.898 3.345 . 0 0 "[ . 1 . 2]" 1
2063 1 110 ARG HA 1 117 TRP HZ3 . . 4.970 4.576 4.252 4.896 . 0 0 "[ . 1 . 2]" 1
2064 1 110 ARG HA 1 118 ILE H . . 4.880 3.094 2.770 3.875 . 0 0 "[ . 1 . 2]" 1
2065 1 110 ARG HB2 1 117 TRP HE3 . . 4.590 3.219 2.826 4.227 . 0 0 "[ . 1 . 2]" 1
2066 1 110 ARG HB2 1 117 TRP HZ3 . . 4.390 3.046 2.581 4.548 0.158 4 0 "[ . 1 . 2]" 1
2067 1 110 ARG HB3 1 117 TRP HZ3 . . 4.780 4.480 3.086 4.851 0.071 10 0 "[ . 1 . 2]" 1
2068 1 110 ARG HG2 1 111 ASP H . . 5.390 3.915 1.949 5.752 0.362 4 0 "[ . 1 . 2]" 1
2069 1 111 ASP H 1 111 ASP HB2 . . 3.920 2.195 2.044 2.575 . 0 0 "[ . 1 . 2]" 1
2070 1 111 ASP H 1 111 ASP HB3 . . 3.860 2.883 2.604 3.233 . 0 0 "[ . 1 . 2]" 1
2071 1 111 ASP H 1 116 ARG H . . 4.610 3.973 3.401 4.535 . 0 0 "[ . 1 . 2]" 1
2072 1 111 ASP H 1 117 TRP HA . . 4.890 2.725 1.965 3.117 . 0 0 "[ . 1 . 2]" 1
2073 1 111 ASP H 1 118 ILE H . . 5.250 2.718 2.420 4.345 . 0 0 "[ . 1 . 2]" 1
2074 1 111 ASP HB2 1 112 GLY H . . 5.500 4.262 3.882 4.635 . 0 0 "[ . 1 . 2]" 1
2075 1 111 ASP HB2 1 116 ARG H . . 4.280 3.779 3.214 4.204 . 0 0 "[ . 1 . 2]" 1
2076 1 111 ASP HB2 1 118 ILE HB . . 4.720 2.551 1.994 4.084 . 0 0 "[ . 1 . 2]" 1
2077 1 111 ASP HB2 1 118 ILE MD . . 4.000 3.709 3.250 4.106 0.106 20 0 "[ . 1 . 2]" 1
2078 1 111 ASP HB2 1 118 ILE HG12 . . 4.470 2.431 2.086 2.863 . 0 0 "[ . 1 . 2]" 1
2079 1 111 ASP HB2 1 118 ILE HG13 . . 4.530 2.232 1.983 3.678 . 0 0 "[ . 1 . 2]" 1
2080 1 111 ASP HB3 1 112 GLY H . . 5.160 3.729 3.230 4.285 . 0 0 "[ . 1 . 2]" 1
2081 1 111 ASP HB3 1 116 ARG H . . 4.480 2.537 1.945 3.657 . 0 0 "[ . 1 . 2]" 1
2082 1 111 ASP HB3 1 118 ILE MD . . 4.380 4.464 4.427 4.565 0.185 20 0 "[ . 1 . 2]" 1
2083 1 111 ASP HB3 1 118 ILE HG12 . . 4.230 3.448 3.124 3.812 . 0 0 "[ . 1 . 2]" 1
2084 1 111 ASP HB3 1 118 ILE HG13 . . 4.310 3.297 2.959 4.294 . 0 0 "[ . 1 . 2]" 1
2085 1 112 GLY H 1 113 THR H . . 4.290 2.628 1.957 3.998 . 0 0 "[ . 1 . 2]" 1
2086 1 112 GLY HA3 1 113 THR MG . . 4.610 4.132 3.647 4.893 0.283 19 0 "[ . 1 . 2]" 1
2087 1 113 THR H 1 113 THR HB . . 3.740 3.415 2.366 3.748 0.008 10 0 "[ . 1 . 2]" 1
2088 1 113 THR H 1 113 THR MG . . 3.950 2.456 1.913 3.277 . 0 0 "[ . 1 . 2]" 1
2089 1 113 THR H 1 114 THR H . . 3.590 2.467 1.885 2.956 . 0 0 "[ . 1 . 2]" 1
2090 1 113 THR H 1 115 ARG H . . 5.490 3.615 2.040 5.448 . 0 0 "[ . 1 . 2]" 1
2091 1 113 THR HA 1 113 THR MG . . 3.160 2.647 2.130 3.245 0.085 12 0 "[ . 1 . 2]" 1
2092 1 113 THR HB 1 114 THR H . . 3.780 3.662 3.307 3.869 0.089 9 0 "[ . 1 . 2]" 1
2093 1 114 THR H 1 116 ARG H . . 4.650 4.004 3.627 4.322 . 0 0 "[ . 1 . 2]" 1
2094 1 114 THR HB 1 115 ARG H . . 3.660 2.977 1.953 3.853 0.193 12 0 "[ . 1 . 2]" 1
2095 1 114 THR HB 1 115 ARG HA . . 5.380 4.938 4.359 5.394 0.014 20 0 "[ . 1 . 2]" 1
2096 1 114 THR HB 1 116 ARG HB3 . . 4.820 4.516 3.745 4.908 0.088 15 0 "[ . 1 . 2]" 1
2097 1 114 THR HB 1 116 ARG HD2 . . 4.940 4.032 3.548 4.759 . 0 0 "[ . 1 . 2]" 1
2098 1 114 THR HB 1 116 ARG HG2 . . 3.610 2.603 1.999 3.182 . 0 0 "[ . 1 . 2]" 1
2099 1 114 THR MG 1 115 ARG H . . 4.980 3.502 1.973 4.229 . 0 0 "[ . 1 . 2]" 1
2100 1 114 THR MG 1 115 ARG HA . . 4.860 4.769 3.908 5.127 0.267 12 0 "[ . 1 . 2]" 1
2101 1 114 THR MG 1 116 ARG H . . 4.510 3.848 3.277 4.178 . 0 0 "[ . 1 . 2]" 1
2102 1 114 THR MG 1 116 ARG HD2 . . 4.440 3.209 1.770 4.484 0.044 20 0 "[ . 1 . 2]" 1
2103 1 115 ARG H 1 115 ARG QD . . 4.200 4.015 3.604 4.362 0.162 12 0 "[ . 1 . 2]" 1
2104 1 115 ARG H 1 115 ARG HG2 . . 4.210 3.432 2.599 4.295 0.085 10 0 "[ . 1 . 2]" 1
2105 1 115 ARG H 1 115 ARG HG3 . . 4.290 3.424 2.478 4.346 0.056 12 0 "[ . 1 . 2]" 1
2106 1 115 ARG H 1 116 ARG H . . 3.740 2.531 1.979 3.029 . 0 0 "[ . 1 . 2]" 1
2107 1 115 ARG HA 1 115 ARG HG2 . . 3.760 3.076 2.317 3.869 0.109 7 0 "[ . 1 . 2]" 1
2108 1 115 ARG HA 1 115 ARG HG3 . . 3.550 3.314 2.443 3.889 0.339 19 0 "[ . 1 . 2]" 1
2109 1 115 ARG HB3 1 116 ARG H . . 4.980 4.555 4.387 4.739 . 0 0 "[ . 1 . 2]" 1
2110 1 115 ARG QD 1 115 ARG HG2 . . 2.650 2.378 2.183 2.573 . 0 0 "[ . 1 . 2]" 1
2111 1 115 ARG QD 1 116 ARG H . . 5.500 5.231 4.756 5.688 0.188 12 0 "[ . 1 . 2]" 1
2112 1 116 ARG H 1 116 ARG HB2 . . 4.140 3.911 3.713 4.005 . 0 0 "[ . 1 . 2]" 1
2113 1 116 ARG H 1 116 ARG HB3 . . 3.870 3.341 2.868 3.565 . 0 0 "[ . 1 . 2]" 1
2114 1 116 ARG H 1 116 ARG HD2 . . 4.840 4.827 4.060 5.078 0.238 15 0 "[ . 1 . 2]" 1
2115 1 116 ARG H 1 116 ARG HD3 . . 4.950 4.815 4.635 5.065 0.115 9 0 "[ . 1 . 2]" 1
2116 1 116 ARG H 1 116 ARG HG2 . . 3.400 3.004 2.189 3.955 0.555 20 1 "[ . 1 . +]" 1
2117 1 116 ARG H 1 116 ARG HG3 . . 4.020 2.663 2.345 3.346 . 0 0 "[ . 1 . 2]" 1
2118 1 116 ARG H 1 117 TRP H . . 4.880 4.345 4.296 4.384 . 0 0 "[ . 1 . 2]" 1
2119 1 116 ARG HA 1 116 ARG HE . . 5.100 4.691 4.354 5.044 . 0 0 "[ . 1 . 2]" 1
2120 1 116 ARG HA 1 117 TRP H . . 3.380 2.781 2.593 2.878 . 0 0 "[ . 1 . 2]" 1
2121 1 116 ARG HA 1 117 TRP HD1 . . 4.490 3.736 2.440 4.329 . 0 0 "[ . 1 . 2]" 1
2122 1 116 ARG HA 1 117 TRP HE1 . . 5.310 4.602 4.075 5.026 . 0 0 "[ . 1 . 2]" 1
2123 1 116 ARG HB2 1 117 TRP H . . 3.930 2.019 1.943 2.313 . 0 0 "[ . 1 . 2]" 1
2124 1 116 ARG HB2 1 117 TRP HD1 . . 5.080 3.656 3.346 3.896 . 0 0 "[ . 1 . 2]" 1
2125 1 116 ARG HB3 1 116 ARG HE . . 5.090 3.257 3.017 4.884 . 0 0 "[ . 1 . 2]" 1
2126 1 116 ARG HB3 1 117 TRP H . . 3.960 3.560 3.476 3.749 . 0 0 "[ . 1 . 2]" 1
2127 1 116 ARG HD2 1 118 ILE MD . . 4.570 2.504 1.842 4.123 . 0 0 "[ . 1 . 2]" 1
2128 1 116 ARG HD3 1 116 ARG HG3 . . 2.870 2.430 2.269 2.906 0.036 20 0 "[ . 1 . 2]" 1
2129 1 116 ARG HD3 1 117 TRP H . . 4.590 3.407 2.599 4.661 0.071 9 0 "[ . 1 . 2]" 1
2130 1 116 ARG HD3 1 118 ILE MD . . 4.450 2.422 1.960 2.984 . 0 0 "[ . 1 . 2]" 1
2131 1 116 ARG HE 1 116 ARG HG2 . . 4.200 3.610 3.344 3.987 . 0 0 "[ . 1 . 2]" 1
2132 1 116 ARG HE 1 116 ARG HG3 . . 4.170 3.608 2.690 3.943 . 0 0 "[ . 1 . 2]" 1
2133 1 116 ARG HE 1 117 TRP H . . 4.790 3.492 2.652 4.033 . 0 0 "[ . 1 . 2]" 1
2134 1 116 ARG HE 1 117 TRP HD1 . . 5.030 4.845 4.046 5.266 0.236 20 0 "[ . 1 . 2]" 1
2135 1 116 ARG HG2 1 118 ILE MD . . 3.770 3.823 3.386 4.329 0.559 17 1 "[ . 1 . + 2]" 1
2136 1 117 TRP H 1 117 TRP HB3 . . 4.050 3.661 3.585 3.759 . 0 0 "[ . 1 . 2]" 1
2137 1 117 TRP H 1 117 TRP HD1 . . 4.560 2.423 2.002 2.716 . 0 0 "[ . 1 . 2]" 1
2138 1 117 TRP H 1 118 ILE H . . 5.070 4.485 4.340 4.556 . 0 0 "[ . 1 . 2]" 1
2139 1 117 TRP H 1 118 ILE MD . . 5.320 4.803 4.370 5.231 . 0 0 "[ . 1 . 2]" 1
2140 1 117 TRP HA 1 117 TRP HD1 . . 5.050 4.234 3.301 4.500 . 0 0 "[ . 1 . 2]" 1
2141 1 117 TRP HA 1 117 TRP HE3 . . 4.130 3.255 2.872 4.324 0.194 20 0 "[ . 1 . 2]" 1
2142 1 117 TRP HA 1 118 ILE HB . . 4.880 4.420 4.313 4.498 . 0 0 "[ . 1 . 2]" 1
2143 1 117 TRP HB2 1 117 TRP HE1 . . 5.170 4.975 4.937 5.119 . 0 0 "[ . 1 . 2]" 1
2144 1 117 TRP HB2 1 117 TRP HE3 . . 4.060 3.991 3.573 4.094 0.034 6 0 "[ . 1 . 2]" 1
2145 1 117 TRP HB2 1 118 ILE H . . 4.530 4.035 3.355 4.346 . 0 0 "[ . 1 . 2]" 1
2146 1 117 TRP HB3 1 118 ILE H . . 4.810 3.278 2.566 3.683 . 0 0 "[ . 1 . 2]" 1
2147 1 117 TRP HE3 1 118 ILE H . . 4.660 4.401 3.833 4.686 0.026 20 0 "[ . 1 . 2]" 1
2148 1 118 ILE H 1 118 ILE HB . . 3.770 2.608 2.432 2.704 . 0 0 "[ . 1 . 2]" 1
2149 1 118 ILE H 1 118 ILE MD . . 4.310 4.169 3.835 4.321 0.011 3 0 "[ . 1 . 2]" 1
2150 1 118 ILE H 1 118 ILE HG12 . . 4.460 3.169 2.771 3.342 . 0 0 "[ . 1 . 2]" 1
2151 1 118 ILE H 1 118 ILE HG13 . . 4.230 4.196 3.893 4.340 0.110 4 0 "[ . 1 . 2]" 1
2152 1 118 ILE HB 1 118 ILE MD . . 3.420 3.183 3.128 3.200 . 0 0 "[ . 1 . 2]" 1
2153 1 118 ILE HB 1 119 CYS H . . 4.960 4.134 3.898 4.361 . 0 0 "[ . 1 . 2]" 1
2154 1 118 ILE MD 1 118 ILE MG . . 2.940 1.883 1.786 1.961 . 0 0 "[ . 1 . 2]" 1
2155 1 118 ILE MD 1 119 CYS H . . 4.290 3.341 3.134 3.657 . 0 0 "[ . 1 . 2]" 1
2156 1 118 ILE HG12 1 118 ILE MG . . 3.410 3.221 3.176 3.240 . 0 0 "[ . 1 . 2]" 1
2157 1 118 ILE HG12 1 119 CYS H . . 5.050 4.814 4.688 4.991 . 0 0 "[ . 1 . 2]" 1
2158 1 118 ILE HG13 1 118 ILE MG . . 3.600 2.525 2.422 2.725 . 0 0 "[ . 1 . 2]" 1
2159 1 118 ILE MG 1 119 CYS H . . 3.470 2.234 2.021 2.521 . 0 0 "[ . 1 . 2]" 1
2160 1 118 ILE MG 1 119 CYS HA . . 4.520 3.660 3.465 3.896 . 0 0 "[ . 1 . 2]" 1
2161 1 118 ILE MG 1 120 HIS HD2 . . 3.920 2.615 1.980 3.415 . 0 0 "[ . 1 . 2]" 1
2162 1 118 ILE MG 1 120 HIS HE1 . . 4.380 3.831 3.162 4.406 0.026 9 0 "[ . 1 . 2]" 1
2163 1 119 CYS H 1 119 CYS HG . . 5.250 4.590 4.178 4.995 . 0 0 "[ . 1 . 2]" 1
2164 1 119 CYS HA 1 119 CYS HG . . 4.220 3.399 2.728 3.914 . 0 0 "[ . 1 . 2]" 1
2165 1 119 CYS HA 1 120 HIS H . . 3.460 2.266 2.230 2.319 . 0 0 "[ . 1 . 2]" 1
2166 1 119 CYS HA 1 120 HIS HB2 . . 4.910 4.461 4.275 4.643 . 0 0 "[ . 1 . 2]" 1
2167 1 119 CYS HB3 1 120 HIS H . . 4.950 4.115 3.810 4.340 . 0 0 "[ . 1 . 2]" 1
2168 1 119 CYS HG 1 120 HIS H . . 4.370 3.278 2.344 4.107 . 0 0 "[ . 1 . 2]" 1
2169 1 120 HIS H 1 120 HIS HB2 . . 4.160 2.439 2.257 2.644 . 0 0 "[ . 1 . 2]" 1
2170 1 120 HIS H 1 120 HIS HB3 . . 4.080 3.626 3.520 3.751 . 0 0 "[ . 1 . 2]" 1
2171 1 120 HIS H 1 120 HIS HD2 . . 4.300 3.124 2.605 3.736 . 0 0 "[ . 1 . 2]" 1
2172 1 120 HIS H 1 121 CYS H . . 5.220 4.455 4.326 4.541 . 0 0 "[ . 1 . 2]" 1
2173 1 120 HIS HA 1 121 CYS H . . 3.640 2.248 2.186 2.450 . 0 0 "[ . 1 . 2]" 1
2174 1 120 HIS HB2 1 120 HIS HD2 . . 3.820 2.964 2.777 3.277 . 0 0 "[ . 1 . 2]" 1
2175 1 120 HIS HB2 1 122 PHE QE . . 4.390 2.458 2.087 3.212 . 0 0 "[ . 1 . 2]" 1
2176 1 120 HIS HB2 1 122 PHE HZ . . 4.750 3.463 3.047 3.954 . 0 0 "[ . 1 . 2]" 1
2177 1 120 HIS HB3 1 121 CYS H . . 3.950 3.207 2.604 3.654 . 0 0 "[ . 1 . 2]" 1
2178 1 120 HIS HB3 1 122 PHE QE . . 4.190 2.219 1.986 3.527 . 0 0 "[ . 1 . 2]" 1
2179 1 121 CYS H 1 121 CYS HB2 . . 3.930 2.785 2.659 3.034 . 0 0 "[ . 1 . 2]" 1
2180 1 121 CYS H 1 122 PHE H . . 5.500 4.491 4.360 4.550 . 0 0 "[ . 1 . 2]" 1
2181 1 121 CYS H 1 122 PHE QE . . 5.430 4.181 3.663 4.792 . 0 0 "[ . 1 . 2]" 1
2182 1 121 CYS HA 1 122 PHE QD . . 4.570 2.894 2.632 3.759 . 0 0 "[ . 1 . 2]" 1
2183 1 121 CYS HB2 1 122 PHE H . . 4.580 3.702 3.553 4.042 . 0 0 "[ . 1 . 2]" 1
2184 1 121 CYS HB3 1 122 PHE H . . 5.230 2.876 2.731 3.521 . 0 0 "[ . 1 . 2]" 1
2185 1 122 PHE H 1 122 PHE QD . . 4.300 2.836 2.527 3.518 . 0 0 "[ . 1 . 2]" 1
2186 1 122 PHE H 1 123 MET H . . 5.450 4.135 4.006 4.328 . 0 0 "[ . 1 . 2]" 1
2187 1 122 PHE HA 1 122 PHE QD . . 4.350 3.098 2.563 3.217 . 0 0 "[ . 1 . 2]" 1
2188 1 122 PHE HA 1 123 MET H . . 3.450 2.199 2.193 2.228 . 0 0 "[ . 1 . 2]" 1
2189 1 122 PHE HB2 1 123 MET H . . 4.600 4.314 4.163 4.416 . 0 0 "[ . 1 . 2]" 1
2190 1 122 PHE HB3 1 123 MET H . . 4.160 3.539 3.294 3.711 . 0 0 "[ . 1 . 2]" 1
2191 1 122 PHE QD 1 123 MET H . . 4.710 4.551 4.257 4.657 . 0 0 "[ . 1 . 2]" 1
2192 1 123 MET H 1 123 MET HB2 . . 3.850 2.109 2.061 2.175 . 0 0 "[ . 1 . 2]" 1
2193 1 123 MET H 1 123 MET HB3 . . 3.920 3.305 3.244 3.441 . 0 0 "[ . 1 . 2]" 1
2194 1 123 MET H 1 123 MET HG2 . . 4.960 3.583 3.085 3.789 . 0 0 "[ . 1 . 2]" 1
2195 1 123 MET H 1 123 MET HG3 . . 4.820 4.004 3.780 4.172 . 0 0 "[ . 1 . 2]" 1
2196 1 123 MET H 1 124 ALA H . . 5.220 4.217 4.134 4.590 . 0 0 "[ . 1 . 2]" 1
2197 1 123 MET HA 1 123 MET ME . . 4.010 3.261 2.964 3.692 . 0 0 "[ . 1 . 2]" 1
2198 1 123 MET HA 1 123 MET HG2 . . 4.080 2.223 2.094 2.921 . 0 0 "[ . 1 . 2]" 1
2199 1 123 MET HA 1 123 MET HG3 . . 3.900 3.517 3.447 3.608 . 0 0 "[ . 1 . 2]" 1
2200 1 123 MET HA 1 124 ALA H . . 3.540 2.257 2.233 2.285 . 0 0 "[ . 1 . 2]" 1
2201 1 123 MET HA 1 124 ALA MB . . 3.820 3.912 3.895 3.930 0.110 1 0 "[ . 1 . 2]" 1
2202 1 123 MET HA 1 132 LEU MD2 . . 4.660 4.660 4.183 4.749 0.089 20 0 "[ . 1 . 2]" 1
2203 1 123 MET HB2 1 124 ALA H . . 4.570 4.685 4.296 4.717 0.147 4 0 "[ . 1 . 2]" 1
2204 1 123 MET HB3 1 124 ALA H . . 4.080 4.035 3.143 4.137 0.057 15 0 "[ . 1 . 2]" 1
2205 1 123 MET ME 1 123 MET HG2 . . 3.110 2.230 2.055 3.121 0.011 18 0 "[ . 1 . 2]" 1
2206 1 123 MET ME 1 123 MET HG3 . . 3.060 2.755 1.960 3.000 . 0 0 "[ . 1 . 2]" 1
2207 1 123 MET ME 1 124 ALA H . . 4.530 4.405 3.896 4.611 0.081 3 0 "[ . 1 . 2]" 1
2208 1 123 MET HG2 1 124 ALA H . . 4.740 4.396 4.213 4.868 0.128 18 0 "[ . 1 . 2]" 1
2209 1 124 ALA H 1 124 ALA MB . . 3.210 1.968 1.944 2.072 . 0 0 "[ . 1 . 2]" 1
2210 1 124 ALA H 1 125 VAL H . . 5.500 4.668 4.630 4.675 . 0 0 "[ . 1 . 2]" 1
2211 1 124 ALA HA 1 125 VAL HB . . 4.760 4.505 4.464 4.560 . 0 0 "[ . 1 . 2]" 1
2212 1 124 ALA HA 1 125 VAL MG2 . . 3.630 3.648 3.474 3.724 0.094 19 0 "[ . 1 . 2]" 1
2213 1 124 ALA HA 1 126 LYS H . . 5.170 4.761 4.483 5.031 . 0 0 "[ . 1 . 2]" 1
2214 1 124 ALA HA 1 132 LEU MD2 . . 4.260 3.179 2.900 3.408 . 0 0 "[ . 1 . 2]" 1
2215 1 124 ALA MB 1 125 VAL H . . 4.120 2.803 2.629 2.980 . 0 0 "[ . 1 . 2]" 1
2216 1 124 ALA MB 1 127 ASP H . . 3.490 2.463 2.208 3.291 . 0 0 "[ . 1 . 2]" 1
2217 1 124 ALA MB 1 127 ASP HB2 . . 3.740 2.359 2.026 3.515 . 0 0 "[ . 1 . 2]" 1
2218 1 124 ALA MB 1 127 ASP HB3 . . 4.160 3.443 2.175 4.099 . 0 0 "[ . 1 . 2]" 1
2219 1 124 ALA MB 1 128 THR H . . 4.650 3.922 3.438 4.439 . 0 0 "[ . 1 . 2]" 1
2220 1 124 ALA MB 1 132 LEU MD1 . . 3.300 1.877 1.760 2.136 . 0 0 "[ . 1 . 2]" 1
2221 1 124 ALA MB 1 132 LEU MD2 . . 3.280 2.801 2.306 3.161 . 0 0 "[ . 1 . 2]" 1
2222 1 124 ALA MB 1 132 LEU HG . . 4.640 3.976 3.787 4.535 . 0 0 "[ . 1 . 2]" 1
2223 1 125 VAL H 1 125 VAL HB . . 3.830 2.274 2.218 2.319 . 0 0 "[ . 1 . 2]" 1
2224 1 125 VAL H 1 125 VAL MG1 . . 3.770 3.672 3.643 3.698 . 0 0 "[ . 1 . 2]" 1
2225 1 125 VAL H 1 125 VAL MG2 . . 3.180 2.649 2.446 2.879 . 0 0 "[ . 1 . 2]" 1
2226 1 125 VAL H 1 126 LYS H . . 4.310 2.561 2.396 2.767 . 0 0 "[ . 1 . 2]" 1
2227 1 125 VAL H 1 127 ASP H . . 5.000 3.388 2.710 3.832 . 0 0 "[ . 1 . 2]" 1
2228 1 125 VAL HA 1 125 VAL MG1 . . 3.060 2.495 2.435 2.549 . 0 0 "[ . 1 . 2]" 1
2229 1 125 VAL HA 1 125 VAL MG2 . . 2.910 2.276 2.169 2.377 . 0 0 "[ . 1 . 2]" 1
2230 1 125 VAL HA 1 126 LYS QB . . 5.150 4.878 4.828 5.010 . 0 0 "[ . 1 . 2]" 1
2231 1 125 VAL HA 1 126 LYS QG . . 4.460 4.992 4.623 5.235 0.775 14 12 "[** *.** 1**-+.** *]" 1
2232 1 125 VAL HA 1 127 ASP H . . 4.870 4.611 4.497 4.921 0.051 6 0 "[ . 1 . 2]" 1
2233 1 125 VAL HB 1 126 LYS H . . 4.180 2.290 2.123 2.416 . 0 0 "[ . 1 . 2]" 1
2234 1 125 VAL MG1 1 126 LYS H . . 3.770 2.863 2.605 3.088 . 0 0 "[ . 1 . 2]" 1
2235 1 125 VAL MG1 1 126 LYS HA . . 4.180 3.767 3.587 3.863 . 0 0 "[ . 1 . 2]" 1
2236 1 125 VAL MG1 1 126 LYS QB . . 3.570 2.806 2.543 3.035 . 0 0 "[ . 1 . 2]" 1
2237 1 125 VAL MG1 1 126 LYS QD . . 4.180 2.972 2.531 3.671 . 0 0 "[ . 1 . 2]" 1
2238 1 125 VAL MG1 1 126 LYS QG . . 3.200 2.741 2.409 3.065 . 0 0 "[ . 1 . 2]" 1
2239 1 125 VAL MG1 1 127 ASP H . . 4.980 4.723 4.229 4.995 0.015 11 0 "[ . 1 . 2]" 1
2240 1 125 VAL MG2 1 126 LYS H . . 3.960 3.851 3.761 3.913 . 0 0 "[ . 1 . 2]" 1
2241 1 126 LYS H 1 126 LYS QB . . 3.800 3.055 2.862 3.194 . 0 0 "[ . 1 . 2]" 1
2242 1 126 LYS H 1 126 LYS QG . . 4.190 2.027 1.925 2.151 . 0 0 "[ . 1 . 2]" 1
2243 1 126 LYS H 1 127 ASP H . . 3.680 2.569 1.884 3.021 . 0 0 "[ . 1 . 2]" 1
2244 1 126 LYS H 1 127 ASP HA . . 5.500 4.590 4.400 4.817 . 0 0 "[ . 1 . 2]" 1
2245 1 126 LYS H 1 127 ASP HB2 . . 5.010 4.091 3.326 4.554 . 0 0 "[ . 1 . 2]" 1
2246 1 126 LYS HA 1 126 LYS QD . . 4.350 4.266 4.196 4.345 . 0 0 "[ . 1 . 2]" 1
2247 1 126 LYS QB 1 127 ASP H . . 4.120 4.079 3.707 4.130 0.010 1 0 "[ . 1 . 2]" 1
2248 1 126 LYS QG 1 127 ASP H . . 4.570 3.789 2.463 4.160 . 0 0 "[ . 1 . 2]" 1
2249 1 127 ASP H 1 128 THR H . . 4.980 4.368 4.224 4.518 . 0 0 "[ . 1 . 2]" 1
2250 1 127 ASP HA 1 128 THR H . . 3.570 2.717 2.492 2.963 . 0 0 "[ . 1 . 2]" 1
2251 1 127 ASP HA 1 128 THR MG . . 4.010 4.044 3.844 4.118 0.108 17 0 "[ . 1 . 2]" 1
2252 1 127 ASP HA 1 132 LEU MD1 . . 4.720 4.713 4.543 4.825 0.105 6 0 "[ . 1 . 2]" 1
2253 1 127 ASP HB2 1 128 THR H . . 4.170 3.167 2.424 3.798 . 0 0 "[ . 1 . 2]" 1
2254 1 127 ASP HB2 1 128 THR MG . . 4.890 4.772 4.348 5.341 0.451 5 0 "[ . 1 . 2]" 1
2255 1 127 ASP HB2 1 132 LEU MD1 . . 3.760 2.631 2.282 3.499 . 0 0 "[ . 1 . 2]" 1
2256 1 127 ASP HB3 1 128 THR H . . 3.790 2.259 1.944 3.272 . 0 0 "[ . 1 . 2]" 1
2257 1 127 ASP HB3 1 128 THR MG . . 4.460 3.828 3.531 4.923 0.463 4 0 "[ . 1 . 2]" 1
2258 1 127 ASP HB3 1 132 LEU MD1 . . 3.800 2.925 2.236 3.331 . 0 0 "[ . 1 . 2]" 1
2259 1 128 THR H 1 128 THR MG . . 3.330 2.101 1.905 2.429 . 0 0 "[ . 1 . 2]" 1
2260 1 128 THR H 1 129 GLY H . . 5.500 4.497 4.324 4.629 . 0 0 "[ . 1 . 2]" 1
2261 1 128 THR H 1 130 GLU H . . 5.110 4.748 4.486 5.027 . 0 0 "[ . 1 . 2]" 1
2262 1 128 THR H 1 131 ARG H . . 4.800 3.734 3.456 4.380 . 0 0 "[ . 1 . 2]" 1
2263 1 128 THR H 1 131 ARG QD . . 4.990 3.087 1.931 4.293 . 0 0 "[ . 1 . 2]" 1
2264 1 128 THR H 1 132 LEU H . . 5.500 4.629 4.165 5.512 0.012 19 0 "[ . 1 . 2]" 1
2265 1 128 THR H 1 132 LEU MD1 . . 4.330 3.410 2.759 3.915 . 0 0 "[ . 1 . 2]" 1
2266 1 128 THR HA 1 130 GLU H . . 4.280 4.023 3.810 4.199 . 0 0 "[ . 1 . 2]" 1
2267 1 128 THR MG 1 129 GLY H . . 3.800 3.765 3.598 3.877 0.077 17 0 "[ . 1 . 2]" 1
2268 1 128 THR MG 1 130 GLU H . . 3.580 2.425 2.096 2.912 . 0 0 "[ . 1 . 2]" 1
2269 1 128 THR MG 1 131 ARG H . . 3.620 1.971 1.843 2.138 . 0 0 "[ . 1 . 2]" 1
2270 1 128 THR MG 1 131 ARG HA . . 4.270 4.098 3.749 4.310 0.040 4 0 "[ . 1 . 2]" 1
2271 1 129 GLY H 1 130 GLU H . . 4.010 2.893 2.607 2.993 . 0 0 "[ . 1 . 2]" 1
2272 1 129 GLY H 1 131 ARG H . . 5.460 4.938 4.451 5.220 . 0 0 "[ . 1 . 2]" 1
2273 1 129 GLY HA2 1 132 LEU HB2 . . 5.210 2.397 2.015 2.863 . 0 0 "[ . 1 . 2]" 1
2274 1 129 GLY HA3 1 132 LEU H . . 5.230 4.586 4.300 5.005 . 0 0 "[ . 1 . 2]" 1
2275 1 129 GLY HA3 1 132 LEU HB2 . . 4.860 3.836 3.543 4.254 . 0 0 "[ . 1 . 2]" 1
2276 1 129 GLY HA3 1 132 LEU MD1 . . 4.720 3.599 3.416 4.479 . 0 0 "[ . 1 . 2]" 1
2277 1 129 GLY HA3 1 132 LEU MD2 . . 5.030 4.742 4.281 5.141 0.111 2 0 "[ . 1 . 2]" 1
2278 1 130 GLU H 1 130 GLU QB . . 3.380 2.025 1.997 2.172 . 0 0 "[ . 1 . 2]" 1
2279 1 130 GLU H 1 130 GLU HG3 . . 4.320 4.142 3.515 4.321 0.001 19 0 "[ . 1 . 2]" 1
2280 1 130 GLU H 1 131 ARG H . . 4.160 3.017 2.402 3.331 . 0 0 "[ . 1 . 2]" 1
2281 1 130 GLU H 1 132 LEU H . . 5.500 4.131 3.598 4.402 . 0 0 "[ . 1 . 2]" 1
2282 1 130 GLU HA 1 130 GLU HG2 . . 3.960 3.471 2.664 3.567 . 0 0 "[ . 1 . 2]" 1
2283 1 130 GLU HA 1 130 GLU HG3 . . 3.750 2.256 2.117 2.456 . 0 0 "[ . 1 . 2]" 1
2284 1 130 GLU HA 1 133 SER H . . 4.410 3.393 3.089 3.676 . 0 0 "[ . 1 . 2]" 1
2285 1 130 GLU HA 1 133 SER HB3 . . 4.280 2.970 2.401 3.745 . 0 0 "[ . 1 . 2]" 1
2286 1 130 GLU QB 1 131 ARG H . . 4.040 2.339 2.130 2.695 . 0 0 "[ . 1 . 2]" 1
2287 1 130 GLU HG3 1 131 ARG H . . 4.840 4.599 4.339 4.776 . 0 0 "[ . 1 . 2]" 1
2288 1 131 ARG H 1 131 ARG QG . . 4.770 2.829 1.951 3.596 . 0 0 "[ . 1 . 2]" 1
2289 1 131 ARG H 1 132 LEU H . . 3.970 2.847 2.431 3.122 . 0 0 "[ . 1 . 2]" 1
2290 1 131 ARG H 1 132 LEU MD1 . . 4.690 3.725 3.314 4.052 . 0 0 "[ . 1 . 2]" 1
2291 1 131 ARG HB2 1 132 LEU H . . 5.300 2.887 2.284 4.030 . 0 0 "[ . 1 . 2]" 1
2292 1 131 ARG HB2 1 132 LEU MD1 . . 5.210 3.078 2.478 4.213 . 0 0 "[ . 1 . 2]" 1
2293 1 131 ARG HB3 1 132 LEU H . . 4.420 3.343 2.662 4.126 . 0 0 "[ . 1 . 2]" 1
2294 1 131 ARG HB3 1 132 LEU MD1 . . 5.040 3.597 2.675 4.424 . 0 0 "[ . 1 . 2]" 1
2295 1 131 ARG QG 1 132 LEU H . . 5.500 4.240 2.116 4.549 . 0 0 "[ . 1 . 2]" 1
2296 1 132 LEU H 1 132 LEU HB2 . . 4.080 2.281 2.107 2.469 . 0 0 "[ . 1 . 2]" 1
2297 1 132 LEU H 1 132 LEU MD1 . . 3.480 2.045 1.830 2.377 . 0 0 "[ . 1 . 2]" 1
2298 1 132 LEU H 1 132 LEU MD2 . . 4.120 4.056 3.908 4.184 0.064 3 0 "[ . 1 . 2]" 1
2299 1 132 LEU H 1 132 LEU HG . . 4.450 3.300 2.925 3.810 . 0 0 "[ . 1 . 2]" 1
2300 1 132 LEU H 1 133 SER H . . 4.170 2.710 2.498 3.052 . 0 0 "[ . 1 . 2]" 1
2301 1 132 LEU H 1 134 HIS H . . 5.500 3.854 3.651 4.136 . 0 0 "[ . 1 . 2]" 1
2302 1 132 LEU HA 1 132 LEU MD1 . . 3.450 3.218 2.826 3.382 . 0 0 "[ . 1 . 2]" 1
2303 1 132 LEU HA 1 132 LEU MD2 . . 3.600 3.504 3.373 3.654 0.054 7 0 "[ . 1 . 2]" 1
2304 1 132 LEU HA 1 132 LEU HG . . 3.610 2.292 2.182 2.394 . 0 0 "[ . 1 . 2]" 1
2305 1 132 LEU HA 1 135 ALA H . . 4.470 3.449 3.196 3.886 . 0 0 "[ . 1 . 2]" 1
2306 1 132 LEU HA 1 135 ALA MB . . 3.590 2.864 2.464 3.300 . 0 0 "[ . 1 . 2]" 1
2307 1 132 LEU HA 1 136 VAL H . . 5.220 4.106 3.765 4.912 . 0 0 "[ . 1 . 2]" 1
2308 1 132 LEU HB2 1 132 LEU MD1 . . 3.620 2.085 1.986 2.288 . 0 0 "[ . 1 . 2]" 1
2309 1 132 LEU HB2 1 132 LEU MD2 . . 3.330 2.713 2.544 2.824 . 0 0 "[ . 1 . 2]" 1
2310 1 132 LEU HB2 1 133 SER H . . 4.410 2.792 2.320 3.100 . 0 0 "[ . 1 . 2]" 1
2311 1 132 LEU HB3 1 133 SER H . . 4.380 3.562 2.991 3.919 . 0 0 "[ . 1 . 2]" 1
2312 1 132 LEU HB3 1 135 ALA MB . . 4.620 4.580 4.136 4.734 0.114 8 0 "[ . 1 . 2]" 1
2313 1 132 LEU MD2 1 133 SER H . . 4.670 4.906 4.563 5.105 0.435 2 0 "[ . 1 . 2]" 1
2314 1 132 LEU HG 1 135 ALA MB . . 5.050 4.400 4.125 4.909 . 0 0 "[ . 1 . 2]" 1
2315 1 133 SER H 1 133 SER HB2 . . 3.770 3.401 2.933 3.528 . 0 0 "[ . 1 . 2]" 1
2316 1 133 SER H 1 133 SER HB3 . . 3.770 2.149 2.024 2.316 . 0 0 "[ . 1 . 2]" 1
2317 1 133 SER H 1 134 HIS H . . 4.280 2.586 2.377 2.790 . 0 0 "[ . 1 . 2]" 1
2318 1 133 SER H 1 135 ALA MB . . 5.150 5.099 4.881 5.324 0.174 20 0 "[ . 1 . 2]" 1
2319 1 133 SER HA 1 136 VAL H . . 4.370 3.754 3.220 4.011 . 0 0 "[ . 1 . 2]" 1
2320 1 133 SER HA 1 136 VAL HB . . 4.320 4.119 3.866 4.425 0.105 8 0 "[ . 1 . 2]" 1
2321 1 133 SER HA 1 136 VAL MG1 . . 3.730 2.084 1.799 3.949 0.219 17 0 "[ . 1 . 2]" 1
2322 1 133 SER HA 1 136 VAL MG2 . . 4.240 4.057 1.826 4.362 0.122 15 0 "[ . 1 . 2]" 1
2323 1 133 SER HB2 1 134 HIS H . . 4.330 4.376 4.247 4.437 0.107 13 0 "[ . 1 . 2]" 1
2324 1 133 SER HB3 1 134 HIS H . . 4.830 3.788 3.304 4.103 . 0 0 "[ . 1 . 2]" 1
2325 1 134 HIS H 1 134 HIS HB2 . . 3.930 2.784 2.438 3.358 . 0 0 "[ . 1 . 2]" 1
2326 1 134 HIS H 1 134 HIS HB3 . . 3.970 2.300 2.057 2.533 . 0 0 "[ . 1 . 2]" 1
2327 1 134 HIS H 1 135 ALA H . . 4.020 2.594 2.384 2.839 . 0 0 "[ . 1 . 2]" 1
2328 1 134 HIS H 1 135 ALA MB . . 5.200 4.076 3.947 4.293 . 0 0 "[ . 1 . 2]" 1
2329 1 134 HIS H 1 136 VAL H . . 4.980 4.194 3.856 4.781 . 0 0 "[ . 1 . 2]" 1
2330 1 134 HIS HA 1 137 GLY H . . 4.430 3.356 3.055 4.087 . 0 0 "[ . 1 . 2]" 1
2331 1 134 HIS HB2 1 135 ALA H . . 4.500 3.958 3.596 4.584 0.084 17 0 "[ . 1 . 2]" 1
2332 1 134 HIS HB3 1 135 ALA H . . 4.090 2.690 2.137 3.907 . 0 0 "[ . 1 . 2]" 1
2333 1 135 ALA H 1 135 ALA MB . . 3.310 2.093 1.933 2.289 . 0 0 "[ . 1 . 2]" 1
2334 1 135 ALA H 1 136 VAL H . . 3.940 2.881 2.400 3.090 . 0 0 "[ . 1 . 2]" 1
2335 1 135 ALA H 1 136 VAL HB . . 5.420 5.252 4.789 5.564 0.144 8 0 "[ . 1 . 2]" 1
2336 1 135 ALA H 1 136 VAL MG1 . . 4.750 4.022 3.508 4.730 . 0 0 "[ . 1 . 2]" 1
2337 1 135 ALA H 1 137 GLY H . . 5.390 3.867 3.532 4.139 . 0 0 "[ . 1 . 2]" 1
2338 1 135 ALA HA 1 138 CYS H . . 3.770 3.291 3.209 3.526 . 0 0 "[ . 1 . 2]" 1
2339 1 135 ALA HA 1 138 CYS HB2 . . 4.180 2.526 2.158 2.815 . 0 0 "[ . 1 . 2]" 1
2340 1 135 ALA HA 1 138 CYS HB3 . . 4.180 3.967 3.672 4.244 0.064 3 0 "[ . 1 . 2]" 1
2341 1 135 ALA MB 1 136 VAL H . . 3.410 2.370 2.182 2.584 . 0 0 "[ . 1 . 2]" 1
2342 1 135 ALA MB 1 136 VAL HA . . 4.410 3.751 3.661 3.837 . 0 0 "[ . 1 . 2]" 1
2343 1 135 ALA MB 1 137 GLY H . . 5.120 4.254 4.108 4.431 . 0 0 "[ . 1 . 2]" 1
2344 1 136 VAL H 1 136 VAL HB . . 3.620 2.490 2.299 3.477 . 0 0 "[ . 1 . 2]" 1
2345 1 136 VAL H 1 136 VAL MG1 . . 3.060 2.198 1.929 2.673 . 0 0 "[ . 1 . 2]" 1
2346 1 136 VAL H 1 136 VAL MG2 . . 3.850 3.508 1.819 3.709 . 0 0 "[ . 1 . 2]" 1
2347 1 136 VAL H 1 137 GLY H . . 3.850 2.697 2.511 3.059 . 0 0 "[ . 1 . 2]" 1
2348 1 136 VAL H 1 139 ALA MB . . 5.500 5.185 4.569 5.414 . 0 0 "[ . 1 . 2]" 1
2349 1 136 VAL HA 1 136 VAL MG1 . . 3.100 3.095 2.074 3.217 0.117 16 0 "[ . 1 . 2]" 1
2350 1 136 VAL HA 1 136 VAL MG2 . . 2.980 2.445 2.328 3.157 0.177 8 0 "[ . 1 . 2]" 1
2351 1 136 VAL HA 1 139 ALA MB . . 3.280 3.140 2.954 3.333 0.053 18 0 "[ . 1 . 2]" 1
2352 1 136 VAL HB 1 137 GLY H . . 4.010 3.943 3.135 4.079 0.069 6 0 "[ . 1 . 2]" 1
2353 1 136 VAL HB 1 138 CYS H . . 5.500 5.369 5.310 5.455 . 0 0 "[ . 1 . 2]" 1
2354 1 136 VAL MG1 1 137 GLY H . . 4.030 2.199 1.917 4.168 0.138 8 0 "[ . 1 . 2]" 1
2355 1 136 VAL MG2 1 137 GLY H . . 3.920 3.675 1.920 3.968 0.048 15 0 "[ . 1 . 2]" 1
2356 1 136 VAL MG2 1 138 CYS H . . 4.860 4.689 4.067 4.778 . 0 0 "[ . 1 . 2]" 1
2357 1 137 GLY H 1 138 CYS H . . 3.490 2.514 2.449 2.803 . 0 0 "[ . 1 . 2]" 1
2358 1 137 GLY HA2 1 140 PHE H . . 5.190 3.606 3.424 3.752 . 0 0 "[ . 1 . 2]" 1
2359 1 137 GLY HA2 1 140 PHE HB2 . . 4.680 2.621 2.244 3.006 . 0 0 "[ . 1 . 2]" 1
2360 1 137 GLY HA2 1 140 PHE HB3 . . 4.790 3.142 2.757 3.354 . 0 0 "[ . 1 . 2]" 1
2361 1 137 GLY HA2 1 141 ALA H . . 5.280 4.038 3.472 4.337 . 0 0 "[ . 1 . 2]" 1
2362 1 137 GLY HA3 1 140 PHE HB2 . . 4.500 4.289 3.811 4.702 0.202 16 0 "[ . 1 . 2]" 1
2363 1 137 GLY HA3 1 140 PHE HB3 . . 4.470 4.599 4.369 4.758 0.288 16 0 "[ . 1 . 2]" 1
2364 1 138 CYS H 1 138 CYS HB2 . . 3.560 2.346 2.147 2.533 . 0 0 "[ . 1 . 2]" 1
2365 1 138 CYS H 1 138 CYS HB3 . . 3.980 3.550 3.434 3.606 . 0 0 "[ . 1 . 2]" 1
2366 1 138 CYS H 1 139 ALA MB . . 4.820 3.966 3.819 4.514 . 0 0 "[ . 1 . 2]" 1
2367 1 138 CYS HA 1 141 ALA MB . . 3.250 2.928 2.739 3.049 . 0 0 "[ . 1 . 2]" 1
2368 1 138 CYS HA 1 142 ALA H . . 4.450 4.326 4.070 4.540 0.090 13 0 "[ . 1 . 2]" 1
2369 1 138 CYS HB2 1 139 ALA H . . 4.190 2.442 2.268 2.741 . 0 0 "[ . 1 . 2]" 1
2370 1 138 CYS HB2 1 139 ALA HA . . 5.230 4.417 4.187 4.748 . 0 0 "[ . 1 . 2]" 1
2371 1 138 CYS HB2 1 139 ALA MB . . 4.230 3.942 3.817 4.227 . 0 0 "[ . 1 . 2]" 1
2372 1 138 CYS HB3 1 139 ALA H . . 3.610 3.271 2.886 3.608 . 0 0 "[ . 1 . 2]" 1
2373 1 138 CYS HB3 1 139 ALA HA . . 5.270 4.208 3.919 4.506 . 0 0 "[ . 1 . 2]" 1
2374 1 138 CYS HB3 1 139 ALA MB . . 4.920 4.531 4.233 4.773 . 0 0 "[ . 1 . 2]" 1
2375 1 138 CYS HB3 1 140 PHE H . . 5.500 5.388 5.017 5.938 0.438 10 0 "[ . 1 . 2]" 1
2376 1 138 CYS HB3 1 141 ALA MB . . 4.650 4.708 4.567 4.762 0.112 17 0 "[ . 1 . 2]" 1
2377 1 138 CYS HB3 1 142 ALA MB . . 4.890 4.319 3.909 4.578 . 0 0 "[ . 1 . 2]" 1
2378 1 139 ALA H 1 139 ALA MB . . 3.000 2.029 1.937 2.123 . 0 0 "[ . 1 . 2]" 1
2379 1 139 ALA H 1 140 PHE H . . 3.710 2.795 2.688 2.913 . 0 0 "[ . 1 . 2]" 1
2380 1 139 ALA H 1 142 ALA MB . . 4.920 4.417 4.224 4.573 . 0 0 "[ . 1 . 2]" 1
2381 1 139 ALA HA 1 141 ALA H . . 4.890 4.762 4.547 5.009 0.119 17 0 "[ . 1 . 2]" 1
2382 1 139 ALA HA 1 142 ALA H . . 4.160 3.353 3.258 3.463 . 0 0 "[ . 1 . 2]" 1
2383 1 139 ALA HA 1 142 ALA MB . . 3.380 2.393 2.280 2.484 . 0 0 "[ . 1 . 2]" 1
2384 1 139 ALA HA 1 143 CYS H . . 5.500 3.640 3.501 3.859 . 0 0 "[ . 1 . 2]" 1
2385 1 139 ALA MB 1 140 PHE H . . 3.390 2.684 2.457 2.841 . 0 0 "[ . 1 . 2]" 1
2386 1 139 ALA MB 1 140 PHE HA . . 4.650 3.780 3.677 3.865 . 0 0 "[ . 1 . 2]" 1
2387 1 139 ALA MB 1 140 PHE HB2 . . 4.780 4.064 3.901 4.143 . 0 0 "[ . 1 . 2]" 1
2388 1 139 ALA MB 1 140 PHE QD . . 4.770 4.342 4.115 4.798 0.028 16 0 "[ . 1 . 2]" 1
2389 1 139 ALA MB 1 141 ALA H . . 5.000 4.828 4.634 4.952 . 0 0 "[ . 1 . 2]" 1
2390 1 139 ALA MB 1 142 ALA H . . 4.540 4.449 4.363 4.474 . 0 0 "[ . 1 . 2]" 1
2391 1 140 PHE H 1 140 PHE HB2 . . 3.530 1.913 1.886 1.961 . 0 0 "[ . 1 . 2]" 1
2392 1 140 PHE H 1 140 PHE HB3 . . 3.580 2.952 2.854 3.031 . 0 0 "[ . 1 . 2]" 1
2393 1 140 PHE H 1 140 PHE QD . . 4.300 3.498 3.331 3.843 . 0 0 "[ . 1 . 2]" 1
2394 1 140 PHE H 1 141 ALA MB . . 4.820 4.448 4.305 4.548 . 0 0 "[ . 1 . 2]" 1
2395 1 140 PHE H 1 142 ALA H . . 4.600 3.918 3.653 4.103 . 0 0 "[ . 1 . 2]" 1
2396 1 140 PHE HA 1 140 PHE QD . . 3.500 2.820 2.579 2.985 . 0 0 "[ . 1 . 2]" 1
2397 1 140 PHE HA 1 143 CYS H . . 4.330 3.541 3.319 3.739 . 0 0 "[ . 1 . 2]" 1
2398 1 140 PHE HA 1 143 CYS HB2 . . 3.790 3.806 3.655 3.877 0.087 9 0 "[ . 1 . 2]" 1
2399 1 140 PHE HA 1 143 CYS HB3 . . 3.480 2.885 2.726 3.074 . 0 0 "[ . 1 . 2]" 1
2400 1 140 PHE HB2 1 141 ALA H . . 3.720 3.143 2.980 3.338 . 0 0 "[ . 1 . 2]" 1
2401 1 140 PHE HB2 1 141 ALA MB . . 4.790 4.644 4.541 4.791 0.001 10 0 "[ . 1 . 2]" 1
2402 1 140 PHE HB3 1 141 ALA H . . 3.670 2.240 2.077 2.381 . 0 0 "[ . 1 . 2]" 1
2403 1 140 PHE HB3 1 141 ALA MB . . 4.440 3.591 3.535 3.657 . 0 0 "[ . 1 . 2]" 1
2404 1 140 PHE QD 1 141 ALA H . . 4.330 4.048 3.921 4.157 . 0 0 "[ . 1 . 2]" 1
2405 1 140 PHE QD 1 141 ALA HA . . 4.640 4.156 3.921 4.297 . 0 0 "[ . 1 . 2]" 1
2406 1 140 PHE QD 1 141 ALA MB . . 4.540 4.595 4.353 4.695 0.155 16 0 "[ . 1 . 2]" 1
2407 1 140 PHE QD 1 144 LEU QD . . 4.160 2.095 1.946 2.499 . 0 0 "[ . 1 . 2]" 1
2408 1 140 PHE QD 1 144 LEU HG . . 4.710 3.280 2.024 4.097 . 0 0 "[ . 1 . 2]" 1
2409 1 140 PHE QE 1 144 LEU QD . . 4.040 2.317 1.999 2.529 . 0 0 "[ . 1 . 2]" 1
2410 1 140 PHE QE 1 144 LEU HG . . 4.490 3.965 2.996 4.414 . 0 0 "[ . 1 . 2]" 1
2411 1 140 PHE HZ 1 144 LEU QD . . 4.470 3.865 3.583 4.312 . 0 0 "[ . 1 . 2]" 1
2412 1 141 ALA H 1 141 ALA MB . . 2.800 2.154 2.133 2.165 . 0 0 "[ . 1 . 2]" 1
2413 1 141 ALA H 1 142 ALA H . . 3.670 2.692 2.588 2.784 . 0 0 "[ . 1 . 2]" 1
2414 1 141 ALA HA 1 144 LEU HB2 . . 3.810 2.510 2.374 2.701 . 0 0 "[ . 1 . 2]" 1
2415 1 141 ALA HA 1 144 LEU QD . . 3.880 3.303 2.899 3.634 . 0 0 "[ . 1 . 2]" 1
2416 1 141 ALA MB 1 142 ALA H . . 3.130 2.777 2.643 3.037 . 0 0 "[ . 1 . 2]" 1
2417 1 141 ALA MB 1 145 GLU HG2 . . 4.620 4.670 4.230 5.088 0.468 10 0 "[ . 1 . 2]" 1
2418 1 141 ALA MB 1 145 GLU HG3 . . 4.630 3.739 3.352 4.039 . 0 0 "[ . 1 . 2]" 1
2419 1 142 ALA H 1 142 ALA MB . . 2.880 2.165 2.135 2.223 . 0 0 "[ . 1 . 2]" 1
2420 1 142 ALA H 1 143 CYS HB2 . . 5.120 4.960 4.709 5.089 . 0 0 "[ . 1 . 2]" 1
2421 1 142 ALA H 1 143 CYS HB3 . . 4.990 4.843 4.613 4.968 . 0 0 "[ . 1 . 2]" 1
2422 1 142 ALA HA 1 144 LEU H . . 4.620 4.508 4.276 4.697 0.077 14 0 "[ . 1 . 2]" 1
2423 1 142 ALA HA 1 145 GLU HB2 . . 3.470 2.102 1.973 2.379 . 0 0 "[ . 1 . 2]" 1
2424 1 142 ALA HA 1 145 GLU HG2 . . 4.390 4.596 4.329 5.005 0.615 8 4 "[- . + * . *2]" 1
2425 1 142 ALA HA 1 146 ARG H . . 4.780 4.770 4.346 4.916 0.136 14 0 "[ . 1 . 2]" 1
2426 1 142 ALA MB 1 143 CYS H . . 3.680 2.190 1.982 2.385 . 0 0 "[ . 1 . 2]" 1
2427 1 142 ALA MB 1 143 CYS HA . . 4.520 3.725 3.683 3.784 . 0 0 "[ . 1 . 2]" 1
2428 1 142 ALA MB 1 143 CYS HB2 . . 3.870 3.823 3.726 3.933 0.063 16 0 "[ . 1 . 2]" 1
2429 1 142 ALA MB 1 143 CYS HB3 . . 4.420 4.501 4.423 4.610 0.190 16 0 "[ . 1 . 2]" 1
2430 1 142 ALA MB 1 144 LEU H . . 4.600 4.354 4.176 4.543 . 0 0 "[ . 1 . 2]" 1
2431 1 142 ALA MB 1 145 GLU H . . 4.790 4.344 4.232 4.546 . 0 0 "[ . 1 . 2]" 1
2432 1 142 ALA MB 1 145 GLU HB2 . . 4.030 3.763 3.660 4.004 . 0 0 "[ . 1 . 2]" 1
2433 1 143 CYS H 1 143 CYS HB2 . . 3.310 2.379 2.301 2.474 . 0 0 "[ . 1 . 2]" 1
2434 1 143 CYS H 1 143 CYS HB3 . . 3.280 2.628 2.523 2.730 . 0 0 "[ . 1 . 2]" 1
2435 1 143 CYS H 1 144 LEU H . . 3.720 2.795 2.714 2.887 . 0 0 "[ . 1 . 2]" 1
2436 1 143 CYS H 1 144 LEU HG . . 5.220 5.045 4.858 5.286 0.066 8 0 "[ . 1 . 2]" 1
2437 1 143 CYS H 1 145 GLU H . . 4.700 4.037 3.758 4.306 . 0 0 "[ . 1 . 2]" 1
2438 1 143 CYS H 1 145 GLU HB2 . . 5.500 4.684 4.524 4.833 . 0 0 "[ . 1 . 2]" 1
2439 1 143 CYS HA 1 145 GLU H . . 4.640 4.386 3.986 4.666 0.026 19 0 "[ . 1 . 2]" 1
2440 1 143 CYS HA 1 146 ARG H . . 4.220 3.722 3.486 3.873 . 0 0 "[ . 1 . 2]" 1
2441 1 143 CYS HA 1 146 ARG QB . . 3.710 3.369 2.849 3.735 0.025 20 0 "[ . 1 . 2]" 1
2442 1 143 CYS HB2 1 144 LEU H . . 3.800 3.839 3.742 3.883 0.083 9 0 "[ . 1 . 2]" 1
2443 1 143 CYS HB3 1 144 LEU H . . 3.420 2.596 2.465 2.766 . 0 0 "[ . 1 . 2]" 1
2444 1 143 CYS HB3 1 144 LEU HG . . 4.440 3.661 3.420 3.825 . 0 0 "[ . 1 . 2]" 1
2445 1 143 CYS HB3 1 145 GLU H . . 5.040 4.950 4.699 5.104 0.064 19 0 "[ . 1 . 2]" 1
2446 1 144 LEU H 1 144 LEU QD . . 3.790 3.196 3.003 3.353 . 0 0 "[ . 1 . 2]" 1
2447 1 144 LEU H 1 144 LEU HG . . 3.050 2.686 2.500 2.843 . 0 0 "[ . 1 . 2]" 1
2448 1 144 LEU H 1 145 GLU HB2 . . 4.980 4.371 4.225 4.541 . 0 0 "[ . 1 . 2]" 1
2449 1 144 LEU H 1 146 ARG H . . 4.850 4.127 3.942 4.675 . 0 0 "[ . 1 . 2]" 1
2450 1 144 LEU HA 1 144 LEU QD . . 3.120 1.929 1.849 2.185 . 0 0 "[ . 1 . 2]" 1
2451 1 144 LEU HA 1 144 LEU HG . . 3.550 3.023 2.649 3.238 . 0 0 "[ . 1 . 2]" 1
2452 1 144 LEU HA 1 147 LYS QB . . 3.240 3.125 2.290 3.402 0.162 6 0 "[ . 1 . 2]" 1
2453 1 144 LEU HA 1 147 LYS QD . . 3.860 3.354 1.890 4.260 0.400 12 0 "[ . 1 . 2]" 1
2454 1 144 LEU HA 1 147 LYS QE . . 4.230 2.717 1.924 3.911 . 0 0 "[ . 1 . 2]" 1
2455 1 144 LEU HA 1 147 LYS HG2 . . 4.360 3.719 1.996 4.582 0.222 5 0 "[ . 1 . 2]" 1
2456 1 144 LEU HA 1 147 LYS HG3 . . 4.350 3.339 2.370 4.532 0.182 5 0 "[ . 1 . 2]" 1
2457 1 144 LEU HA 1 148 GLN H . . 4.170 3.342 2.799 3.617 . 0 0 "[ . 1 . 2]" 1
2458 1 144 LEU HA 1 148 GLN HE21 . . 5.480 4.949 4.497 5.385 . 0 0 "[ . 1 . 2]" 1
2459 1 144 LEU HA 1 148 GLN HG2 . . 4.150 3.927 3.277 4.244 0.094 19 0 "[ . 1 . 2]" 1
2460 1 144 LEU HA 1 148 GLN HG3 . . 4.040 3.711 2.928 4.218 0.178 9 0 "[ . 1 . 2]" 1
2461 1 144 LEU HB2 1 145 GLU H . . 3.770 2.879 2.696 3.159 . 0 0 "[ . 1 . 2]" 1
2462 1 144 LEU HB3 1 144 LEU QD . . 2.970 2.100 2.047 2.185 . 0 0 "[ . 1 . 2]" 1
2463 1 144 LEU HB3 1 145 GLU H . . 3.760 3.584 3.281 3.801 0.041 16 0 "[ . 1 . 2]" 1
2464 1 144 LEU HB3 1 148 GLN H . . 4.570 3.574 3.342 3.864 . 0 0 "[ . 1 . 2]" 1
2465 1 144 LEU HB3 1 148 GLN HE21 . . 5.200 2.611 2.042 3.085 . 0 0 "[ . 1 . 2]" 1
2466 1 144 LEU HB3 1 148 GLN HE22 . . 5.430 3.974 3.349 4.519 . 0 0 "[ . 1 . 2]" 1
2467 1 144 LEU QD 1 145 GLU H . . 4.820 4.223 4.126 4.333 . 0 0 "[ . 1 . 2]" 1
2468 1 144 LEU QD 1 147 LYS QB . . 3.980 2.993 2.248 3.593 . 0 0 "[ . 1 . 2]" 1
2469 1 144 LEU QD 1 147 LYS QD . . 3.860 2.904 1.752 3.700 . 0 0 "[ . 1 . 2]" 1
2470 1 144 LEU QD 1 147 LYS QE . . 3.860 1.861 1.665 2.493 . 0 0 "[ . 1 . 2]" 1
2471 1 144 LEU QD 1 148 GLN H . . 4.190 3.546 2.892 3.915 . 0 0 "[ . 1 . 2]" 1
2472 1 144 LEU QD 1 148 GLN QB . . 4.430 3.872 3.347 4.074 . 0 0 "[ . 1 . 2]" 1
2473 1 144 LEU QD 1 148 GLN HE21 . . 4.690 3.087 2.302 3.933 . 0 0 "[ . 1 . 2]" 1
2474 1 144 LEU QD 1 148 GLN HE22 . . 4.760 3.553 2.520 4.651 . 0 0 "[ . 1 . 2]" 1
2475 1 144 LEU QD 1 148 GLN HG2 . . 4.080 2.797 2.238 3.341 . 0 0 "[ . 1 . 2]" 1
2476 1 144 LEU QD 1 148 GLN HG3 . . 4.550 3.125 1.930 3.808 . 0 0 "[ . 1 . 2]" 1
2477 1 144 LEU HG 1 145 GLU H . . 4.630 4.738 4.554 4.894 0.264 14 0 "[ . 1 . 2]" 1
2478 1 145 GLU H 1 145 GLU HB2 . . 3.260 2.052 2.032 2.080 . 0 0 "[ . 1 . 2]" 1
2479 1 145 GLU H 1 145 GLU HB3 . . 3.220 3.316 3.266 3.380 0.160 18 0 "[ . 1 . 2]" 1
2480 1 145 GLU H 1 145 GLU HG2 . . 3.520 3.644 3.438 3.863 0.343 12 0 "[ . 1 . 2]" 1
2481 1 145 GLU H 1 145 GLU HG3 . . 3.800 3.585 3.287 3.857 0.057 14 0 "[ . 1 . 2]" 1
2482 1 145 GLU H 1 146 ARG H . . 3.540 2.835 2.588 3.202 . 0 0 "[ . 1 . 2]" 1
2483 1 145 GLU H 1 146 ARG QB . . 4.650 4.628 4.301 4.770 0.120 11 0 "[ . 1 . 2]" 1
2484 1 145 GLU H 1 146 ARG QD . . 5.350 4.525 3.805 5.116 . 0 0 "[ . 1 . 2]" 1
2485 1 145 GLU HA 1 145 GLU HB3 . . 2.880 2.869 2.781 2.906 0.026 4 0 "[ . 1 . 2]" 1
2486 1 145 GLU HA 1 145 GLU HG2 . . 3.490 2.001 1.955 2.084 . 0 0 "[ . 1 . 2]" 1
2487 1 145 GLU HA 1 145 GLU HG3 . . 3.420 3.197 2.998 3.435 0.015 14 0 "[ . 1 . 2]" 1
2488 1 145 GLU HA 1 147 LYS H . . 4.210 4.236 4.003 4.356 0.146 8 0 "[ . 1 . 2]" 1
2489 1 145 GLU HA 1 148 GLN HE21 . . 4.910 4.205 2.803 5.005 0.095 8 0 "[ . 1 . 2]" 1
2490 1 145 GLU HB2 1 146 ARG H . . 3.780 3.409 2.977 3.576 . 0 0 "[ . 1 . 2]" 1
2491 1 145 GLU HB3 1 146 ARG H . . 3.580 3.338 2.463 3.865 0.285 18 0 "[ . 1 . 2]" 1
2492 1 145 GLU HG2 1 146 ARG H . . 4.900 5.002 4.699 5.074 0.174 18 0 "[ . 1 . 2]" 1
2493 1 146 ARG H 1 146 ARG QB . . 3.000 2.222 2.081 2.370 . 0 0 "[ . 1 . 2]" 1
2494 1 146 ARG H 1 146 ARG QD . . 4.420 2.810 2.009 3.500 . 0 0 "[ . 1 . 2]" 1
2495 1 146 ARG HA 1 146 ARG HG2 . . 3.610 3.302 2.715 3.623 0.013 16 0 "[ . 1 . 2]" 1
2496 1 146 ARG HA 1 146 ARG HG3 . . 3.420 2.458 2.019 3.693 0.273 14 0 "[ . 1 . 2]" 1
2497 1 146 ARG QB 1 146 ARG QD . . 3.130 2.071 1.944 2.233 . 0 0 "[ . 1 . 2]" 1
2498 1 146 ARG QB 1 146 ARG HE . . 5.040 3.716 2.682 4.357 . 0 0 "[ . 1 . 2]" 1
2499 1 146 ARG QB 1 147 LYS H . . 3.450 2.921 2.648 3.554 0.104 14 0 "[ . 1 . 2]" 1
2500 1 147 LYS H 1 147 LYS QB . . 3.020 2.558 2.312 2.705 . 0 0 "[ . 1 . 2]" 1
2501 1 147 LYS H 1 147 LYS QD . . 4.050 3.735 1.881 4.401 0.351 16 0 "[ . 1 . 2]" 1
2502 1 147 LYS H 1 147 LYS QE . . 4.330 3.920 3.403 4.654 0.324 13 0 "[ . 1 . 2]" 1
2503 1 147 LYS H 1 147 LYS HG2 . . 3.620 2.941 2.385 3.899 0.279 5 0 "[ . 1 . 2]" 1
2504 1 147 LYS H 1 147 LYS HG3 . . 3.870 2.630 1.953 3.741 . 0 0 "[ . 1 . 2]" 1
2505 1 147 LYS H 1 148 GLN H . . 3.350 2.418 2.154 2.557 . 0 0 "[ . 1 . 2]" 1
2506 1 147 LYS HA 1 147 LYS HG2 . . 3.730 3.125 2.496 3.846 0.116 13 0 "[ . 1 . 2]" 1
2507 1 147 LYS HA 1 147 LYS HG3 . . 3.490 3.292 2.464 3.585 0.095 3 0 "[ . 1 . 2]" 1
2508 1 147 LYS HA 1 148 GLN H . . 3.560 3.633 3.612 3.639 0.079 15 0 "[ . 1 . 2]" 1
2509 1 147 LYS QB 1 147 LYS QD . . 3.050 2.284 2.119 2.433 . 0 0 "[ . 1 . 2]" 1
2510 1 147 LYS QB 1 147 LYS QE . . 3.450 2.350 1.883 3.631 0.181 13 0 "[ . 1 . 2]" 1
2511 1 147 LYS QB 1 148 GLN H . . 3.530 2.646 2.286 3.445 . 0 0 "[ . 1 . 2]" 1
2512 1 147 LYS QE 1 147 LYS HG2 . . 3.770 2.767 2.109 3.347 . 0 0 "[ . 1 . 2]" 1
2513 1 147 LYS HG2 1 148 GLN H . . 4.780 3.871 1.905 4.938 0.158 15 0 "[ . 1 . 2]" 1
2514 1 147 LYS HG3 1 148 GLN H . . 4.880 3.474 2.327 4.515 . 0 0 "[ . 1 . 2]" 1
2515 1 148 GLN H 1 148 GLN QB . . 3.150 2.692 2.365 3.054 . 0 0 "[ . 1 . 2]" 1
2516 1 148 GLN H 1 148 GLN HG2 . . 3.710 2.588 2.187 2.970 . 0 0 "[ . 1 . 2]" 1
2517 1 148 GLN H 1 148 GLN HG3 . . 3.590 2.328 1.952 2.796 . 0 0 "[ . 1 . 2]" 1
2518 1 148 GLN QB 1 149 LYS H . . 3.690 2.184 1.900 3.344 . 0 0 "[ . 1 . 2]" 1
2519 1 148 GLN HG3 1 149 LYS H . . 4.840 4.190 3.561 5.294 0.454 8 0 "[ . 1 . 2]" 1
2520 1 149 LYS H 1 149 LYS HB3 . . 3.440 3.339 2.722 4.002 0.562 19 2 "[ . 1 .- +2]" 1
2521 1 149 LYS H 1 149 LYS HG2 . . 3.940 3.233 2.121 4.019 0.079 10 0 "[ . 1 . 2]" 1
2522 1 149 LYS H 1 149 LYS HG3 . . 4.080 2.842 1.994 3.784 . 0 0 "[ . 1 . 2]" 1
2523 1 149 LYS HA 1 149 LYS HB2 . . 2.960 2.700 2.374 3.031 0.071 14 0 "[ . 1 . 2]" 1
2524 1 149 LYS HA 1 149 LYS HG3 . . 3.610 3.382 2.766 3.674 0.064 4 0 "[ . 1 . 2]" 1
2525 1 149 LYS HA 1 150 ARG H . . 3.360 2.401 2.178 2.789 . 0 0 "[ . 1 . 2]" 1
2526 1 149 LYS HB2 1 150 ARG H . . 4.440 3.498 2.428 4.516 0.076 12 0 "[ . 1 . 2]" 1
2527 1 149 LYS HB3 1 149 LYS QE . . 4.890 3.619 2.251 4.453 . 0 0 "[ . 1 . 2]" 1
2528 1 149 LYS HB3 1 150 ARG H . . 4.440 3.639 2.076 4.488 0.048 12 0 "[ . 1 . 2]" 1
2529 1 150 ARG H 1 150 ARG HB2 . . 3.960 2.910 2.043 3.854 . 0 0 "[ . 1 . 2]" 1
2530 1 150 ARG H 1 150 ARG HB3 . . 3.410 2.969 2.450 4.033 0.623 5 1 "[ + 1 . 2]" 1
2531 1 150 ARG H 1 150 ARG QD . . 4.670 4.055 1.903 4.703 0.033 1 0 "[ . 1 . 2]" 1
2532 1 150 ARG H 1 150 ARG HG2 . . 4.250 3.528 1.959 4.691 0.441 7 0 "[ . 1 . 2]" 1
2533 1 150 ARG H 1 150 ARG HG3 . . 3.860 3.681 2.330 4.352 0.492 17 0 "[ . 1 . 2]" 1
2534 1 150 ARG HA 1 150 ARG QD . . 4.280 3.498 2.103 4.314 0.034 2 0 "[ . 1 . 2]" 1
2535 1 150 ARG HA 1 150 ARG HG2 . . 3.700 3.182 2.037 3.859 0.159 4 0 "[ . 1 . 2]" 1
2536 1 150 ARG HA 1 150 ARG HG3 . . 3.960 3.236 2.273 4.265 0.305 19 0 "[ . 1 . 2]" 1
2537 1 150 ARG HA 1 151 SER H . . 3.470 2.380 2.229 2.614 . 0 0 "[ . 1 . 2]" 1
2538 1 150 ARG HB2 1 150 ARG QD . . 3.610 2.577 1.973 3.332 . 0 0 "[ . 1 . 2]" 1
2539 1 150 ARG HB2 1 150 ARG HG3 . . 2.870 2.584 2.282 3.051 0.181 7 0 "[ . 1 . 2]" 1
2540 1 150 ARG HB2 1 151 SER H . . 5.500 3.726 2.408 4.677 . 0 0 "[ . 1 . 2]" 1
2541 1 150 ARG HB3 1 150 ARG QD . . 2.790 2.548 1.973 3.321 0.531 7 1 "[ . + 1 . 2]" 1
2542 1 150 ARG HB3 1 150 ARG HE . . 4.950 4.326 2.794 5.226 0.276 3 0 "[ . 1 . 2]" 1
2543 1 150 ARG HB3 1 150 ARG HG3 . . 2.640 2.867 2.578 3.057 0.417 9 0 "[ . 1 . 2]" 1
2544 1 150 ARG HE 1 150 ARG HG2 . . 3.870 2.842 2.112 3.585 . 0 0 "[ . 1 . 2]" 1
2545 1 150 ARG HG2 1 151 SER H . . 4.860 4.071 1.965 5.363 0.503 6 1 "[ .+ 1 . 2]" 1
2546 1 151 SER H 1 151 SER QB . . 3.620 2.733 2.006 3.338 . 0 0 "[ . 1 . 2]" 1
2547 1 151 SER HA 1 152 GLY H . . 3.620 2.606 2.215 3.641 0.021 6 0 "[ . 1 . 2]" 1
2548 1 151 SER QB 1 152 GLY H . . 4.610 3.222 2.295 3.974 . 0 0 "[ . 1 . 2]" 1
2549 1 153 PRO HA 1 154 SER H . . 3.070 2.504 2.182 2.781 . 0 0 "[ . 1 . 2]" 1
2550 1 153 PRO HB2 1 154 SER H . . 4.600 2.571 1.950 3.506 . 0 0 "[ . 1 . 2]" 1
2551 1 153 PRO HB2 1 155 SER H . . 5.460 4.011 3.451 4.519 . 0 0 "[ . 1 . 2]" 1
2552 1 153 PRO HB3 1 154 SER H . . 4.520 3.347 3.101 3.867 . 0 0 "[ . 1 . 2]" 1
2553 1 153 PRO HB3 1 155 SER H . . 5.390 5.161 4.781 5.341 . 0 0 "[ . 1 . 2]" 1
2554 1 154 SER H 1 155 SER HA . . 4.120 4.056 3.863 4.173 0.053 8 0 "[ . 1 . 2]" 1
2555 1 155 SER H 1 155 SER QB . . 3.850 2.686 2.001 3.337 . 0 0 "[ . 1 . 2]" 1
2556 1 155 SER H 1 156 GLY H . . 3.970 3.158 2.223 3.885 . 0 0 "[ . 1 . 2]" 1
2557 1 155 SER QB 1 156 GLY H . . 4.080 2.898 1.962 4.058 . 0 0 "[ . 1 . 2]" 1
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