Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
534704 | 2lq5 RC | 18292 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2lq5
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 1527
_Distance_constraint_stats_list.Viol_count 3591
_Distance_constraint_stats_list.Viol_total 13989.275
_Distance_constraint_stats_list.Viol_max 1.775
_Distance_constraint_stats_list.Viol_rms 0.1151
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0229
_Distance_constraint_stats_list.Viol_average_violations_only 0.1948
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 2 GLN 3.168 0.439 8 0 "[ . 1 . 2]"
1 3 PRO 0.486 0.079 2 0 "[ . 1 . 2]"
1 4 LEU 1.940 0.090 18 0 "[ . 1 . 2]"
1 5 ALA 2.719 0.117 19 0 "[ . 1 . 2]"
1 6 THR 32.071 1.691 20 15 "[** ** ***- **** **+]"
1 7 GLN 13.005 0.831 12 6 "[ *. ***1 + . - 2]"
1 8 CYS 45.207 1.691 20 16 "[** ** **** **** -**+]"
1 9 PHE 11.636 0.677 16 5 "[ -. ** 1 .+* 2]"
1 10 GLN 6.670 0.323 13 0 "[ . 1 . 2]"
1 11 LEU 5.951 0.109 9 0 "[ . 1 . 2]"
1 12 SER 27.292 1.640 11 20 [****-*****+*********]
1 13 ASN 37.701 1.439 11 20 [****-*****+*********]
1 14 MET 7.040 0.399 14 0 "[ . 1 . 2]"
1 15 PHE 1.476 0.124 9 0 "[ . 1 . 2]"
1 16 ASN 20.703 1.775 14 13 "[***-. * ** +*** **]"
1 17 PRO 4.064 0.457 13 0 "[ . 1 . 2]"
1 18 GLN 32.171 1.359 14 14 "[***-.** ** +*** **]"
1 19 THR 11.583 1.775 14 2 "[ - . 1 +. 2]"
1 20 GLU 2.719 0.804 4 1 "[ +. 1 . 2]"
1 21 GLU 5.484 0.804 4 1 "[ +. 1 . 2]"
1 22 GLU 3.331 0.350 5 0 "[ . 1 . 2]"
1 23 VAL 1.414 0.085 9 0 "[ . 1 . 2]"
1 24 GLY 2.634 0.351 12 0 "[ . 1 . 2]"
1 25 TRP 6.648 0.996 5 3 "[ +* 1 . -]"
1 26 ASP 6.574 0.996 5 3 "[ +* 1 . -]"
1 27 THR 5.773 0.351 12 0 "[ . 1 . 2]"
1 28 GLU 3.667 0.090 3 0 "[ . 1 . 2]"
1 29 ILE 7.299 0.375 13 0 "[ . 1 . 2]"
1 30 LYS 10.158 0.753 9 3 "[ . +1 * . -2]"
1 31 ASP 6.853 0.753 9 3 "[ . +1 * . -2]"
1 32 ASP 2.098 0.375 13 0 "[ . 1 . 2]"
1 33 VAL 14.903 1.440 5 13 "[*** +*** 1**- ** *]"
1 34 ILE 3.679 0.411 11 0 "[ . 1 . 2]"
1 35 GLU 9.533 0.569 12 8 "[ * *** 1 +- * * 2]"
1 36 GLU 23.999 1.560 3 14 "[**+ * ***1**- ** **]"
1 37 CYS 43.195 1.560 3 14 "[**+ **** 1*** -** *]"
1 38 ASN 1.108 0.078 8 0 "[ . 1 . 2]"
1 39 LYS 16.231 0.977 13 13 "[*** - * 1**+ *** **]"
1 40 HIS 16.834 0.977 13 11 "[*** ** 1* + -** *]"
1 41 GLY 2.315 0.317 8 0 "[ . 1 . 2]"
1 42 GLY 2.507 0.400 17 0 "[ . 1 . 2]"
1 43 VAL 4.264 0.393 20 0 "[ . 1 . 2]"
1 44 ILE 3.883 0.392 17 0 "[ . 1 . 2]"
1 45 HIS 3.844 0.556 4 1 "[ +. 1 . 2]"
1 46 ILE 2.145 0.109 5 0 "[ . 1 . 2]"
1 47 TYR 21.911 1.287 16 10 "[* *** 1 * **+ -*2]"
1 48 VAL 3.087 0.128 6 0 "[ . 1 . 2]"
1 49 ASP 11.360 0.778 19 6 "[ ** 1 * *. -+2]"
1 50 LYS 5.835 0.890 6 1 "[ .+ 1 . 2]"
1 51 ASN 16.420 0.890 6 3 "[ .+ 1 .-* 2]"
1 52 SER 13.628 1.194 11 10 "[* - .* *+ * .****2]"
1 53 ALA 3.843 0.376 3 0 "[ . 1 . 2]"
1 54 GLN 13.251 1.640 11 9 "[ ***-* 1+** . *]"
1 55 GLY 5.169 0.094 4 0 "[ . 1 . 2]"
1 56 ASN 8.188 1.194 11 9 "[* - .* *+ * .* **2]"
1 57 VAL 2.760 0.101 18 0 "[ . 1 . 2]"
1 58 TYR 13.440 1.287 16 7 "[- * * 1 **+ * 2]"
1 59 VAL 5.287 0.652 11 4 "[ * * 1+ - 2]"
1 60 LYS 1.319 0.424 6 0 "[ . 1 . 2]"
1 61 CYS 8.976 0.778 1 4 "[+* . 1 *.- 2]"
1 62 PRO 4.854 0.751 14 4 "[** . 1 +.- 2]"
1 63 SER 2.815 0.298 16 0 "[ . 1 . 2]"
1 64 ILE 7.251 0.831 12 1 "[ . 1 + . 2]"
1 65 ALA 1.828 0.091 14 0 "[ . 1 . 2]"
1 66 ALA 7.072 0.778 1 4 "[+* . 1 *.- 2]"
1 67 ALA 1.617 0.115 3 0 "[ . 1 . 2]"
1 68 ILE 3.567 0.116 17 0 "[ . 1 . 2]"
1 69 ALA 2.930 0.091 3 0 "[ . 1 . 2]"
1 70 ALA 3.000 0.744 15 2 "[ . -1 + 2]"
1 71 VAL 0.826 0.081 7 0 "[ . 1 . 2]"
1 72 ASN 2.755 0.096 15 0 "[ . 1 . 2]"
1 73 ALA 1.544 0.105 13 0 "[ . 1 . 2]"
1 74 LEU 9.037 1.553 1 8 "[+* * 1 ***-* 2]"
1 75 HIS 4.254 0.108 10 0 "[ . 1 . 2]"
1 76 GLY 8.617 0.970 3 6 "[-*+** 1 *. 2]"
1 77 ARG 19.393 1.553 1 10 "[+**** 1 *-*** 2]"
1 78 TRP 55.140 1.674 18 20 [-****************+**]
1 79 PHE 23.688 1.636 17 20 [************-***+***]
1 80 ALA 1.863 0.097 7 0 "[ . 1 . 2]"
1 81 GLY 3.011 0.879 1 1 "[+ . 1 . 2]"
1 82 LYS 25.622 0.879 1 12 "[+***** 1***-.** 2]"
1 83 MET 61.624 1.674 18 20 [*********-*******+**]
1 84 ILE 69.006 1.636 17 20 [*********-******+***]
1 85 THR 10.745 0.990 3 1 "[ + . 1 . 2]"
1 86 ALA 3.707 0.108 10 0 "[ . 1 . 2]"
1 87 ALA 32.575 1.412 13 20 [***-********+*******]
1 88 TYR 34.140 1.412 13 20 [************+******-]
1 89 VAL 16.429 0.980 13 2 "[ . 1 -+ . 2]"
1 90 PRO 27.278 1.266 5 20 [****+**************-]
1 91 LEU 0.147 0.068 10 0 "[ . 1 . 2]"
1 92 PRO 27.553 0.816 3 18 "[**+*-***** ****** **]"
1 93 THR 49.736 1.266 5 20 [****+***************]
1 94 TYR 13.001 0.554 11 12 "[ * .*** *+-**** * 2]"
1 95 HIS 0.134 0.068 10 0 "[ . 1 . 2]"
1 96 ASN 24.890 1.195 4 20 [***+*****-**********]
1 97 LEU 36.277 1.195 4 20 [***+*******-********]
1 98 PHE 3.070 0.290 9 0 "[ . 1 . 2]"
1 99 PRO 10.594 0.474 20 0 "[ . 1 . 2]"
1 100 ASP 11.378 0.474 20 0 "[ . 1 . 2]"
1 101 SER 3.250 0.180 17 0 "[ . 1 . 2]"
1 102 MET 8.901 0.404 12 0 "[ . 1 . 2]"
1 103 THR 2.876 0.136 16 0 "[ . 1 . 2]"
1 104 ALA 1.932 0.087 4 0 "[ . 1 . 2]"
1 105 THR 1.905 0.137 11 0 "[ . 1 . 2]"
1 106 GLN 1.623 0.087 4 0 "[ . 1 . 2]"
1 107 LEU 0.973 0.099 3 0 "[ . 1 . 2]"
1 108 LEU 4.533 0.868 4 1 "[ +. 1 . 2]"
1 109 VAL 3.143 0.868 4 1 "[ +. 1 . 2]"
1 110 PRO 1.656 0.239 9 0 "[ . 1 . 2]"
1 111 SER 4.212 0.105 5 0 "[ . 1 . 2]"
1 112 ARG 2.789 0.092 17 0 "[ . 1 . 2]"
1 113 ARG 9.101 1.108 20 6 "[ .* * **.- +]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 2 GLN H 1 2 GLN HB3 . . 3.470 3.546 2.843 3.909 0.439 8 0 "[ . 1 . 2]" 1
2 1 2 GLN H 1 3 PRO HD3 . . 5.110 4.213 2.577 5.164 0.054 10 0 "[ . 1 . 2]" 1
3 1 2 GLN H 1 4 LEU QD . . 4.620 4.106 3.103 4.661 0.041 11 0 "[ . 1 . 2]" 1
4 1 2 GLN HA 1 3 PRO HD3 . . 2.910 2.578 2.225 2.989 0.079 2 0 "[ . 1 . 2]" 1
5 1 3 PRO HA 1 4 LEU H . . 2.720 2.378 2.013 2.603 . 0 0 "[ . 1 . 2]" 1
6 1 3 PRO HA 1 4 LEU QD . . 4.830 3.712 2.291 4.175 . 0 0 "[ . 1 . 2]" 1
7 1 3 PRO HA 1 5 ALA H . . 4.910 4.346 3.302 4.987 0.077 10 0 "[ . 1 . 2]" 1
8 1 3 PRO HD3 1 4 LEU H . . 5.500 5.018 4.669 5.264 . 0 0 "[ . 1 . 2]" 1
9 1 3 PRO HD3 1 4 LEU QD . . 5.500 4.244 3.632 5.037 . 0 0 "[ . 1 . 2]" 1
10 1 4 LEU H 1 4 LEU QD . . 4.430 2.616 1.541 3.212 . 0 0 "[ . 1 . 2]" 1
11 1 4 LEU H 1 5 ALA H . . 3.770 3.327 2.328 3.847 0.077 4 0 "[ . 1 . 2]" 1
12 1 4 LEU H 1 5 ALA MB . . 5.500 4.441 3.501 5.050 . 0 0 "[ . 1 . 2]" 1
13 1 4 LEU H 1 6 THR H . . 5.500 5.491 5.167 5.590 0.090 18 0 "[ . 1 . 2]" 1
14 1 4 LEU HA 1 4 LEU QD . . 3.230 2.423 1.968 3.115 . 0 0 "[ . 1 . 2]" 1
15 1 4 LEU HA 1 4 LEU HG . . 4.150 3.698 2.039 4.229 0.079 18 0 "[ . 1 . 2]" 1
16 1 4 LEU HA 1 5 ALA H . . 2.660 2.354 1.775 2.741 0.081 13 0 "[ . 1 . 2]" 1
17 1 4 LEU HA 1 5 ALA HA . . 4.720 4.436 4.212 4.567 . 0 0 "[ . 1 . 2]" 1
18 1 4 LEU HA 1 6 THR H . . 5.390 4.586 3.675 5.354 . 0 0 "[ . 1 . 2]" 1
19 1 4 LEU QD 1 5 ALA H . . 4.330 3.508 3.000 3.966 . 0 0 "[ . 1 . 2]" 1
20 1 4 LEU QD 1 6 THR H . . 5.450 4.801 3.681 5.281 . 0 0 "[ . 1 . 2]" 1
21 1 5 ALA H 1 5 ALA MB . . 2.980 2.395 2.196 2.728 . 0 0 "[ . 1 . 2]" 1
22 1 5 ALA H 1 6 THR H . . 4.310 3.874 2.675 4.310 . 7 0 "[ . 1 . 2]" 1
23 1 5 ALA H 1 6 THR MG . . 4.910 3.661 2.668 4.275 . 0 0 "[ . 1 . 2]" 1
24 1 5 ALA HA 1 6 THR H . . 2.840 2.272 2.142 2.477 . 0 0 "[ . 1 . 2]" 1
25 1 5 ALA HA 1 6 THR HA . . 4.750 4.468 4.330 4.531 . 0 0 "[ . 1 . 2]" 1
26 1 5 ALA HA 1 6 THR MG . . 4.170 4.110 3.910 4.275 0.105 18 0 "[ . 1 . 2]" 1
27 1 5 ALA HA 1 64 ILE MG . . 4.730 3.351 2.879 3.647 . 0 0 "[ . 1 . 2]" 1
28 1 5 ALA HA 1 68 ILE HG13 . . 5.170 4.661 4.156 5.286 0.116 17 0 "[ . 1 . 2]" 1
29 1 5 ALA HA 1 88 TYR QD . . 3.800 3.080 2.220 3.604 . 0 0 "[ . 1 . 2]" 1
30 1 5 ALA HA 1 88 TYR QE . . 4.310 2.748 2.129 3.490 . 0 0 "[ . 1 . 2]" 1
31 1 5 ALA MB 1 6 THR H . . 4.000 3.624 3.423 3.735 . 0 0 "[ . 1 . 2]" 1
32 1 5 ALA MB 1 6 THR HA . . 4.600 4.345 4.029 4.452 . 0 0 "[ . 1 . 2]" 1
33 1 5 ALA MB 1 64 ILE HA . . 5.500 5.192 4.890 5.567 0.067 6 0 "[ . 1 . 2]" 1
34 1 5 ALA MB 1 64 ILE MG . . 2.800 2.226 2.011 2.514 . 0 0 "[ . 1 . 2]" 1
35 1 5 ALA MB 1 88 TYR QD . . 4.570 4.465 3.800 4.687 0.117 19 0 "[ . 1 . 2]" 1
36 1 5 ALA MB 1 88 TYR QE . . 3.840 3.583 2.505 3.939 0.099 10 0 "[ . 1 . 2]" 1
37 1 6 THR H 1 6 THR MG . . 3.640 2.730 2.353 3.187 . 0 0 "[ . 1 . 2]" 1
38 1 6 THR H 1 7 GLN H . . 5.130 4.495 4.315 4.627 . 0 0 "[ . 1 . 2]" 1
39 1 6 THR H 1 7 GLN HA . . 5.470 5.190 4.780 5.529 0.059 17 0 "[ . 1 . 2]" 1
40 1 6 THR H 1 8 CYS H . . 5.020 4.217 3.997 4.435 . 0 0 "[ . 1 . 2]" 1
41 1 6 THR H 1 64 ILE MD . . 5.040 4.920 4.634 5.137 0.097 11 0 "[ . 1 . 2]" 1
42 1 6 THR H 1 64 ILE MG . . 4.250 3.525 2.867 4.098 . 0 0 "[ . 1 . 2]" 1
43 1 6 THR H 1 67 ALA MB . . 5.500 4.469 4.037 4.841 . 0 0 "[ . 1 . 2]" 1
44 1 6 THR H 1 88 TYR HA . . 5.500 5.111 4.668 5.390 . 0 0 "[ . 1 . 2]" 1
45 1 6 THR H 1 88 TYR HB3 . . 4.800 3.239 2.628 3.569 . 0 0 "[ . 1 . 2]" 1
46 1 6 THR H 1 88 TYR QD . . 2.900 1.960 1.578 2.472 . 0 0 "[ . 1 . 2]" 1
47 1 6 THR HA 1 6 THR MG . . 3.630 2.332 2.237 2.682 . 0 0 "[ . 1 . 2]" 1
48 1 6 THR HA 1 7 GLN H . . 2.920 2.418 2.210 2.587 . 0 0 "[ . 1 . 2]" 1
49 1 6 THR HA 1 64 ILE MD . . 3.480 3.107 2.548 3.486 0.006 6 0 "[ . 1 . 2]" 1
50 1 6 THR HA 1 64 ILE HG13 . . 3.950 3.943 3.527 4.106 0.156 11 0 "[ . 1 . 2]" 1
51 1 6 THR HA 1 64 ILE MG . . 3.750 3.334 2.751 3.786 0.036 17 0 "[ . 1 . 2]" 1
52 1 6 THR HA 1 88 TYR QD . . 5.220 4.504 4.189 4.898 . 0 0 "[ . 1 . 2]" 1
53 1 6 THR HB 1 7 GLN H . . 3.110 2.531 2.136 3.028 . 0 0 "[ . 1 . 2]" 1
54 1 6 THR HB 1 8 CYS HB3 . . 4.570 5.253 4.207 6.261 1.691 20 13 "[** ** **** ** -*+]" 1
55 1 6 THR HB 1 91 LEU H . . 4.780 4.035 3.289 4.679 . 0 0 "[ . 1 . 2]" 1
56 1 6 THR HB 1 91 LEU QD . . 4.410 2.595 1.968 3.665 . 0 0 "[ . 1 . 2]" 1
57 1 6 THR MG 1 7 GLN H . . 3.620 3.677 3.537 3.731 0.111 3 0 "[ . 1 . 2]" 1
58 1 6 THR MG 1 8 CYS H . . 4.560 4.425 4.129 4.647 0.087 5 0 "[ . 1 . 2]" 1
59 1 6 THR MG 1 8 CYS HB3 . . 5.500 6.071 4.768 6.712 1.212 4 13 "[** +* ***- **** *2]" 1
60 1 6 THR MG 1 88 TYR QD . . 4.180 3.919 3.541 4.296 0.116 11 0 "[ . 1 . 2]" 1
61 1 6 THR MG 1 90 PRO HA . . 3.450 3.022 1.983 3.542 0.092 4 0 "[ . 1 . 2]" 1
62 1 6 THR MG 1 91 LEU H . . 3.760 2.211 1.715 2.679 . 0 0 "[ . 1 . 2]" 1
63 1 6 THR MG 1 91 LEU HA . . 4.870 3.611 3.064 4.195 . 0 0 "[ . 1 . 2]" 1
64 1 6 THR MG 1 91 LEU QD . . 3.760 2.684 2.138 3.770 0.010 7 0 "[ . 1 . 2]" 1
65 1 7 GLN H 1 7 GLN HE21 . . 5.500 5.148 4.842 5.421 . 0 0 "[ . 1 . 2]" 1
66 1 7 GLN H 1 7 GLN HG3 . . 3.990 3.063 2.266 3.647 . 0 0 "[ . 1 . 2]" 1
67 1 7 GLN H 1 8 CYS HA . . 5.500 5.261 5.047 5.483 . 0 0 "[ . 1 . 2]" 1
68 1 7 GLN H 1 8 CYS HB3 . . 5.500 5.641 4.074 6.214 0.714 4 5 "[ +. ***1 . - 2]" 1
69 1 7 GLN H 1 64 ILE H . . 5.500 5.122 4.756 5.570 0.070 12 0 "[ . 1 . 2]" 1
70 1 7 GLN H 1 64 ILE HA . . 5.000 4.096 3.784 4.386 . 0 0 "[ . 1 . 2]" 1
71 1 7 GLN H 1 64 ILE MD . . 4.220 3.898 3.701 4.283 0.063 5 0 "[ . 1 . 2]" 1
72 1 7 GLN H 1 64 ILE HG13 . . 4.020 3.551 2.909 4.077 0.057 3 0 "[ . 1 . 2]" 1
73 1 7 GLN H 1 91 LEU QD . . 4.390 2.842 2.276 3.689 . 0 0 "[ . 1 . 2]" 1
74 1 7 GLN HA 1 61 CYS H . . 5.360 4.223 3.822 4.516 . 0 0 "[ . 1 . 2]" 1
75 1 7 GLN HA 1 64 ILE HA . . 3.270 2.104 1.968 2.355 . 0 0 "[ . 1 . 2]" 1
76 1 7 GLN HA 1 64 ILE MD . . 5.450 4.748 4.450 4.918 . 0 0 "[ . 1 . 2]" 1
77 1 7 GLN HA 1 64 ILE MG . . 4.260 3.516 3.221 3.639 . 0 0 "[ . 1 . 2]" 1
78 1 7 GLN HA 1 65 ALA H . . 5.500 5.500 5.320 5.591 0.091 14 0 "[ . 1 . 2]" 1
79 1 7 GLN HA 1 67 ALA H . . 5.180 3.793 3.422 4.227 . 0 0 "[ . 1 . 2]" 1
80 1 7 GLN HA 1 67 ALA MB . . 2.840 2.081 1.955 2.233 . 0 0 "[ . 1 . 2]" 1
81 1 7 GLN HB3 1 7 GLN HE22 . . 5.140 4.178 3.851 4.612 . 0 0 "[ . 1 . 2]" 1
82 1 7 GLN HB3 1 61 CYS H . . 5.500 4.851 4.362 5.241 . 0 0 "[ . 1 . 2]" 1
83 1 7 GLN HB3 1 63 SER H . . 4.250 4.258 4.019 4.327 0.077 18 0 "[ . 1 . 2]" 1
84 1 7 GLN HB3 1 64 ILE H . . 5.130 2.779 2.596 3.377 . 0 0 "[ . 1 . 2]" 1
85 1 7 GLN HB3 1 64 ILE HA . . 4.530 2.807 2.360 3.231 . 0 0 "[ . 1 . 2]" 1
86 1 7 GLN HB3 1 64 ILE HG13 . . 5.140 2.345 2.059 2.643 . 0 0 "[ . 1 . 2]" 1
87 1 7 GLN HE21 1 44 ILE MD . . 4.610 3.290 2.799 4.220 . 0 0 "[ . 1 . 2]" 1
88 1 7 GLN HE21 1 61 CYS H . . 5.500 4.234 3.536 5.412 . 0 0 "[ . 1 . 2]" 1
89 1 7 GLN HE21 1 62 PRO HA . . 4.080 3.195 2.536 4.137 0.057 13 0 "[ . 1 . 2]" 1
90 1 7 GLN HE21 1 63 SER H . . 5.500 4.280 3.837 5.044 . 0 0 "[ . 1 . 2]" 1
91 1 7 GLN HE22 1 44 ILE MD . . 4.750 3.841 2.952 4.844 0.094 17 0 "[ . 1 . 2]" 1
92 1 7 GLN HE22 1 62 PRO HA . . 4.610 3.721 2.908 4.674 0.064 18 0 "[ . 1 . 2]" 1
93 1 7 GLN HE22 1 91 LEU QD . . 5.500 4.631 3.859 4.933 . 0 0 "[ . 1 . 2]" 1
94 1 7 GLN HG3 1 61 CYS H . . 5.250 3.956 3.206 5.213 . 0 0 "[ . 1 . 2]" 1
95 1 7 GLN HG3 1 64 ILE H . . 5.500 5.609 5.425 6.331 0.831 12 1 "[ . 1 + . 2]" 1
96 1 7 GLN HG3 1 64 ILE HG13 . . 5.180 4.880 4.049 5.249 0.069 7 0 "[ . 1 . 2]" 1
97 1 8 CYS H 1 8 CYS HB3 . . 3.770 3.684 2.515 3.994 0.224 4 0 "[ . 1 . 2]" 1
98 1 8 CYS H 1 9 PHE H . . 5.090 4.385 4.231 4.651 . 0 0 "[ . 1 . 2]" 1
99 1 8 CYS H 1 9 PHE QD . . 4.700 4.311 3.873 4.755 0.055 7 0 "[ . 1 . 2]" 1
100 1 8 CYS H 1 64 ILE MG . . 4.830 4.923 4.896 4.948 0.118 3 0 "[ . 1 . 2]" 1
101 1 8 CYS H 1 67 ALA MB . . 4.770 3.252 2.858 3.726 . 0 0 "[ . 1 . 2]" 1
102 1 8 CYS H 1 88 TYR HA . . 4.720 4.769 4.660 4.800 0.080 3 0 "[ . 1 . 2]" 1
103 1 8 CYS H 1 88 TYR QD . . 4.890 3.866 3.117 4.934 0.044 12 0 "[ . 1 . 2]" 1
104 1 8 CYS H 1 89 VAL H . . 4.670 3.962 3.539 4.423 . 0 0 "[ . 1 . 2]" 1
105 1 8 CYS H 1 89 VAL QG . . 5.020 3.946 3.346 4.745 . 0 0 "[ . 1 . 2]" 1
106 1 8 CYS HA 1 9 PHE H . . 3.020 2.348 2.204 2.620 . 0 0 "[ . 1 . 2]" 1
107 1 8 CYS HA 1 9 PHE QD . . 4.130 3.256 2.837 3.685 . 0 0 "[ . 1 . 2]" 1
108 1 8 CYS HA 1 59 VAL QG . . 4.760 4.024 3.174 4.693 . 0 0 "[ . 1 . 2]" 1
109 1 8 CYS HA 1 60 LYS H . . 5.500 4.720 4.424 4.999 . 0 0 "[ . 1 . 2]" 1
110 1 8 CYS HA 1 60 LYS HA . . 3.210 2.199 1.982 2.553 . 0 0 "[ . 1 . 2]" 1
111 1 8 CYS HA 1 61 CYS H . . 4.110 3.230 2.916 3.651 . 0 0 "[ . 1 . 2]" 1
112 1 8 CYS HA 1 67 ALA MB . . 5.470 3.815 3.446 4.163 . 0 0 "[ . 1 . 2]" 1
113 1 8 CYS HB3 1 9 PHE H . . 4.420 3.226 2.592 4.421 0.001 11 0 "[ . 1 . 2]" 1
114 1 8 CYS HB3 1 9 PHE QD . . 5.500 5.221 4.927 5.538 0.038 11 0 "[ . 1 . 2]" 1
115 1 8 CYS HB3 1 60 LYS HA . . 5.120 3.573 2.626 4.647 . 0 0 "[ . 1 . 2]" 1
116 1 8 CYS HB3 1 89 VAL H . . 4.630 4.429 3.631 5.610 0.980 13 2 "[ . 1 -+ . 2]" 1
117 1 8 CYS HB3 1 89 VAL HB . . 4.300 4.010 2.269 4.670 0.370 2 0 "[ . 1 . 2]" 1
118 1 8 CYS HB3 1 89 VAL QG . . 4.560 2.707 2.221 3.955 . 0 0 "[ . 1 . 2]" 1
119 1 8 CYS HB3 1 94 TYR QD . . 4.270 3.427 2.374 4.010 . 0 0 "[ . 1 . 2]" 1
120 1 9 PHE H 1 9 PHE QD . . 3.960 2.846 2.383 3.163 . 0 0 "[ . 1 . 2]" 1
121 1 9 PHE H 1 58 TYR HA . . 5.500 4.957 4.552 5.294 . 0 0 "[ . 1 . 2]" 1
122 1 9 PHE H 1 59 VAL H . . 3.860 3.133 2.763 3.487 . 0 0 "[ . 1 . 2]" 1
123 1 9 PHE H 1 59 VAL HB . . 4.130 3.769 3.040 4.250 0.120 5 0 "[ . 1 . 2]" 1
124 1 9 PHE H 1 59 VAL QG . . 4.960 3.243 1.727 4.256 . 0 0 "[ . 1 . 2]" 1
125 1 9 PHE H 1 60 LYS HA . . 4.200 3.688 3.231 4.256 0.056 16 0 "[ . 1 . 2]" 1
126 1 9 PHE H 1 61 CYS H . . 5.500 5.156 4.760 5.514 0.014 12 0 "[ . 1 . 2]" 1
127 1 9 PHE H 1 67 ALA MB . . 5.500 4.700 4.396 5.060 . 0 0 "[ . 1 . 2]" 1
128 1 9 PHE H 1 89 VAL H . . 5.500 4.832 4.497 5.279 . 0 0 "[ . 1 . 2]" 1
129 1 9 PHE H 1 89 VAL QG . . 4.910 3.388 3.037 3.982 . 0 0 "[ . 1 . 2]" 1
130 1 9 PHE HA 1 10 GLN H . . 3.310 2.447 2.289 2.595 . 0 0 "[ . 1 . 2]" 1
131 1 9 PHE HA 1 71 VAL QG . . 5.030 4.117 3.875 4.397 . 0 0 "[ . 1 . 2]" 1
132 1 9 PHE HA 1 88 TYR H . . 5.230 4.651 3.552 4.894 . 0 0 "[ . 1 . 2]" 1
133 1 9 PHE HA 1 88 TYR HB3 . . 5.220 4.504 4.015 4.729 . 0 0 "[ . 1 . 2]" 1
134 1 9 PHE HA 1 88 TYR QD . . 4.750 4.596 4.007 4.847 0.097 20 0 "[ . 1 . 2]" 1
135 1 9 PHE HA 1 89 VAL H . . 3.470 2.957 2.445 3.516 0.046 4 0 "[ . 1 . 2]" 1
136 1 9 PHE HA 1 89 VAL QG . . 3.460 2.394 2.121 2.717 . 0 0 "[ . 1 . 2]" 1
137 1 9 PHE HB3 1 10 GLN H . . 3.590 3.638 3.397 3.913 0.323 13 0 "[ . 1 . 2]" 1
138 1 9 PHE HB3 1 71 VAL QG . . 4.570 2.417 2.214 2.597 . 0 0 "[ . 1 . 2]" 1
139 1 9 PHE HB3 1 87 ALA H . . 4.470 4.783 4.512 5.147 0.677 16 5 "[ -. ** 1 .+* 2]" 1
140 1 9 PHE HB3 1 88 TYR HA . . 3.290 2.821 2.443 3.182 . 0 0 "[ . 1 . 2]" 1
141 1 9 PHE HB3 1 88 TYR QD . . 5.100 3.995 3.471 4.521 . 0 0 "[ . 1 . 2]" 1
142 1 9 PHE QD 1 10 GLN H . . 4.270 3.324 3.069 3.864 . 0 0 "[ . 1 . 2]" 1
143 1 9 PHE QD 1 11 LEU H . . 5.280 4.286 3.647 4.817 . 0 0 "[ . 1 . 2]" 1
144 1 9 PHE QD 1 11 LEU HA . . 5.270 4.312 4.021 4.530 . 0 0 "[ . 1 . 2]" 1
145 1 9 PHE QD 1 11 LEU QD . . 3.680 2.403 2.035 3.106 . 0 0 "[ . 1 . 2]" 1
146 1 9 PHE QD 1 59 VAL HB . . 4.590 4.003 3.394 4.700 0.110 19 0 "[ . 1 . 2]" 1
147 1 9 PHE QD 1 59 VAL QG . . 5.500 3.153 2.425 3.722 . 0 0 "[ . 1 . 2]" 1
148 1 9 PHE QD 1 60 LYS HA . . 5.190 4.502 3.540 5.230 0.040 17 0 "[ . 1 . 2]" 1
149 1 9 PHE QD 1 67 ALA HA . . 4.860 3.238 2.657 3.881 . 0 0 "[ . 1 . 2]" 1
150 1 9 PHE QD 1 67 ALA MB . . 3.320 2.761 2.359 3.369 0.049 7 0 "[ . 1 . 2]" 1
151 1 9 PHE QD 1 71 VAL H . . 5.180 4.798 4.440 5.261 0.081 7 0 "[ . 1 . 2]" 1
152 1 9 PHE QD 1 71 VAL QG . . 3.460 2.745 2.411 3.067 . 0 0 "[ . 1 . 2]" 1
153 1 9 PHE QD 1 86 ALA HA . . 5.190 4.249 3.869 4.653 . 0 0 "[ . 1 . 2]" 1
154 1 9 PHE QD 1 86 ALA MB . . 4.140 2.634 2.302 3.046 . 0 0 "[ . 1 . 2]" 1
155 1 9 PHE QD 1 87 ALA H . . 4.730 4.007 3.557 4.784 0.054 16 0 "[ . 1 . 2]" 1
156 1 9 PHE QE 1 11 LEU H . . 5.500 5.234 4.642 5.568 0.068 14 0 "[ . 1 . 2]" 1
157 1 9 PHE QE 1 11 LEU QD . . 3.420 2.129 1.990 2.725 . 0 0 "[ . 1 . 2]" 1
158 1 9 PHE QE 1 33 VAL QG . . 5.220 3.117 2.550 3.629 . 0 0 "[ . 1 . 2]" 1
159 1 9 PHE QE 1 59 VAL HB . . 4.430 3.687 2.976 4.422 . 0 0 "[ . 1 . 2]" 1
160 1 9 PHE QE 1 59 VAL QG . . 3.790 2.480 2.331 2.777 . 0 0 "[ . 1 . 2]" 1
161 1 9 PHE QE 1 67 ALA HA . . 3.670 2.909 2.283 3.669 . 0 0 "[ . 1 . 2]" 1
162 1 9 PHE QE 1 67 ALA MB . . 3.990 3.711 3.008 4.097 0.107 7 0 "[ . 1 . 2]" 1
163 1 9 PHE QE 1 70 ALA MB . . 3.900 2.674 2.414 3.218 . 0 0 "[ . 1 . 2]" 1
164 1 9 PHE QE 1 71 VAL QG . . 4.660 3.530 3.095 3.928 . 0 0 "[ . 1 . 2]" 1
165 1 9 PHE QE 1 74 LEU QD . . 3.830 2.540 2.054 3.649 . 0 0 "[ . 1 . 2]" 1
166 1 9 PHE QE 1 86 ALA MB . . 5.000 3.897 3.443 4.306 . 0 0 "[ . 1 . 2]" 1
167 1 9 PHE HZ 1 33 VAL QG . . 5.490 3.125 2.601 3.482 . 0 0 "[ . 1 . 2]" 1
168 1 9 PHE HZ 1 59 VAL HB . . 4.630 4.004 3.179 4.720 0.090 11 0 "[ . 1 . 2]" 1
169 1 9 PHE HZ 1 59 VAL QG . . 3.750 2.547 2.286 2.773 . 0 0 "[ . 1 . 2]" 1
170 1 9 PHE HZ 1 67 ALA HA . . 5.460 4.887 4.438 5.388 . 0 0 "[ . 1 . 2]" 1
171 1 9 PHE HZ 1 70 ALA MB . . 3.610 2.502 2.236 2.947 . 0 0 "[ . 1 . 2]" 1
172 1 9 PHE HZ 1 71 VAL H . . 5.500 5.217 4.791 5.564 0.064 7 0 "[ . 1 . 2]" 1
173 1 9 PHE HZ 1 71 VAL QG . . 5.500 4.406 3.881 4.812 . 0 0 "[ . 1 . 2]" 1
174 1 9 PHE HZ 1 74 LEU QD . . 4.200 3.297 2.573 3.918 . 0 0 "[ . 1 . 2]" 1
175 1 10 GLN H 1 10 GLN HG3 . . 4.920 3.134 2.680 3.500 . 0 0 "[ . 1 . 2]" 1
176 1 10 GLN H 1 11 LEU H . . 5.500 4.342 4.174 4.520 . 0 0 "[ . 1 . 2]" 1
177 1 10 GLN H 1 71 VAL QG . . 5.290 4.259 3.970 4.580 . 0 0 "[ . 1 . 2]" 1
178 1 10 GLN H 1 86 ALA HA . . 4.720 4.342 4.106 4.578 . 0 0 "[ . 1 . 2]" 1
179 1 10 GLN H 1 86 ALA MB . . 5.350 3.672 3.146 4.098 . 0 0 "[ . 1 . 2]" 1
180 1 10 GLN H 1 87 ALA H . . 3.610 2.580 2.347 2.872 . 0 0 "[ . 1 . 2]" 1
181 1 10 GLN H 1 87 ALA MB . . 4.360 3.728 3.536 4.032 . 0 0 "[ . 1 . 2]" 1
182 1 10 GLN H 1 88 TYR HA . . 4.380 3.756 3.426 4.083 . 0 0 "[ . 1 . 2]" 1
183 1 10 GLN H 1 88 TYR QD . . 5.500 5.589 5.512 5.611 0.111 4 0 "[ . 1 . 2]" 1
184 1 10 GLN H 1 89 VAL QG . . 3.700 3.420 2.665 3.732 0.032 5 0 "[ . 1 . 2]" 1
185 1 10 GLN HA 1 10 GLN HG3 . . 4.230 3.802 3.678 3.900 . 0 0 "[ . 1 . 2]" 1
186 1 10 GLN HA 1 11 LEU H . . 3.100 2.263 2.065 2.462 . 0 0 "[ . 1 . 2]" 1
187 1 10 GLN HA 1 57 VAL H . . 5.500 4.005 3.681 4.267 . 0 0 "[ . 1 . 2]" 1
188 1 10 GLN HA 1 58 TYR QD . . 5.500 4.870 4.342 5.413 . 0 0 "[ . 1 . 2]" 1
189 1 10 GLN HA 1 59 VAL H . . 4.370 3.386 2.855 3.868 . 0 0 "[ . 1 . 2]" 1
190 1 10 GLN HA 1 89 VAL QG . . 5.380 4.269 3.612 4.753 . 0 0 "[ . 1 . 2]" 1
191 1 10 GLN HB3 1 10 GLN HE21 . . 4.420 2.952 2.417 3.585 . 0 0 "[ . 1 . 2]" 1
192 1 10 GLN HB3 1 10 GLN HE22 . . 4.570 3.990 3.716 4.427 . 0 0 "[ . 1 . 2]" 1
193 1 10 GLN HB3 1 10 GLN HG3 . . 2.960 3.026 2.991 3.035 0.075 17 0 "[ . 1 . 2]" 1
194 1 10 GLN HB3 1 11 LEU H . . 4.300 3.914 3.615 4.179 . 0 0 "[ . 1 . 2]" 1
195 1 10 GLN HB3 1 58 TYR QE . . 4.940 4.142 3.367 4.624 . 0 0 "[ . 1 . 2]" 1
196 1 10 GLN HE21 1 56 ASN HB3 . . 5.500 2.616 2.144 3.075 . 0 0 "[ . 1 . 2]" 1
197 1 10 GLN HE21 1 56 ASN QD . . 5.500 3.819 2.619 4.638 . 0 0 "[ . 1 . 2]" 1
198 1 10 GLN HE21 1 57 VAL HA . . 5.500 5.573 5.398 5.596 0.096 12 0 "[ . 1 . 2]" 1
199 1 10 GLN HE21 1 58 TYR QE . . 5.350 4.100 2.871 5.377 0.027 2 0 "[ . 1 . 2]" 1
200 1 10 GLN HE22 1 56 ASN QD . . 5.500 4.219 2.610 5.244 . 0 0 "[ . 1 . 2]" 1
201 1 10 GLN HE22 1 58 TYR QE . . 4.780 3.889 2.445 4.873 0.093 11 0 "[ . 1 . 2]" 1
202 1 10 GLN HG3 1 11 LEU H . . 4.900 4.197 3.658 4.861 . 0 0 "[ . 1 . 2]" 1
203 1 10 GLN HG3 1 56 ASN QD . . 5.500 4.823 4.417 5.307 . 0 0 "[ . 1 . 2]" 1
204 1 10 GLN HG3 1 87 ALA H . . 5.260 3.360 2.770 4.160 . 0 0 "[ . 1 . 2]" 1
205 1 11 LEU H 1 11 LEU HB3 . . 3.940 3.646 3.437 3.843 . 0 0 "[ . 1 . 2]" 1
206 1 11 LEU H 1 11 LEU QD . . 4.460 2.920 2.411 3.515 . 0 0 "[ . 1 . 2]" 1
207 1 11 LEU H 1 11 LEU HG . . 4.150 3.504 2.457 4.240 0.090 19 0 "[ . 1 . 2]" 1
208 1 11 LEU H 1 12 SER H . . 5.000 4.467 4.366 4.565 . 0 0 "[ . 1 . 2]" 1
209 1 11 LEU H 1 57 VAL H . . 3.900 2.519 2.128 2.972 . 0 0 "[ . 1 . 2]" 1
210 1 11 LEU H 1 57 VAL HB . . 4.540 3.587 2.311 4.631 0.091 4 0 "[ . 1 . 2]" 1
211 1 11 LEU H 1 57 VAL QG . . 5.230 3.167 1.951 3.919 . 0 0 "[ . 1 . 2]" 1
212 1 11 LEU H 1 58 TYR HA . . 4.360 4.307 3.881 4.447 0.087 4 0 "[ . 1 . 2]" 1
213 1 11 LEU H 1 59 VAL H . . 5.500 5.210 4.915 5.560 0.060 11 0 "[ . 1 . 2]" 1
214 1 11 LEU H 1 86 ALA HA . . 5.440 4.607 4.408 4.793 . 0 0 "[ . 1 . 2]" 1
215 1 11 LEU HA 1 11 LEU QD . . 3.100 2.224 2.018 2.415 . 0 0 "[ . 1 . 2]" 1
216 1 11 LEU HA 1 12 SER H . . 3.030 2.442 2.305 2.596 . 0 0 "[ . 1 . 2]" 1
217 1 11 LEU HA 1 12 SER HB3 . . 5.500 5.444 3.815 5.575 0.075 3 0 "[ . 1 . 2]" 1
218 1 11 LEU HA 1 84 ILE MD . . 5.500 5.596 5.567 5.609 0.109 9 0 "[ . 1 . 2]" 1
219 1 11 LEU HA 1 84 ILE MG . . 4.570 3.998 3.606 4.304 . 0 0 "[ . 1 . 2]" 1
220 1 11 LEU HA 1 85 THR H . . 5.050 4.464 4.129 4.723 . 0 0 "[ . 1 . 2]" 1
221 1 11 LEU HA 1 86 ALA H . . 5.500 4.671 4.504 4.824 . 0 0 "[ . 1 . 2]" 1
222 1 11 LEU HA 1 86 ALA MB . . 4.510 3.171 2.830 3.535 . 0 0 "[ . 1 . 2]" 1
223 1 11 LEU HB3 1 11 LEU QD . . 3.020 2.250 2.095 2.500 . 0 0 "[ . 1 . 2]" 1
224 1 11 LEU HB3 1 12 SER H . . 4.000 2.190 1.924 2.336 . 0 0 "[ . 1 . 2]" 1
225 1 11 LEU HB3 1 57 VAL H . . 4.900 4.472 3.835 4.936 0.036 11 0 "[ . 1 . 2]" 1
226 1 11 LEU QD 1 12 SER H . . 4.110 3.541 3.160 3.756 . 0 0 "[ . 1 . 2]" 1
227 1 11 LEU QD 1 33 VAL HA . . 5.490 4.159 3.926 4.413 . 0 0 "[ . 1 . 2]" 1
228 1 11 LEU QD 1 57 VAL H . . 4.880 4.244 3.794 4.673 . 0 0 "[ . 1 . 2]" 1
229 1 11 LEU QD 1 57 VAL HA . . 5.500 5.204 4.753 5.425 . 0 0 "[ . 1 . 2]" 1
230 1 11 LEU QD 1 57 VAL HB . . 3.670 3.133 2.676 3.771 0.101 18 0 "[ . 1 . 2]" 1
231 1 11 LEU QD 1 59 VAL QG . . 3.920 3.049 2.480 3.593 . 0 0 "[ . 1 . 2]" 1
232 1 11 LEU QD 1 84 ILE HA . . 5.500 4.873 4.367 5.246 . 0 0 "[ . 1 . 2]" 1
233 1 11 LEU QD 1 86 ALA H . . 4.690 4.494 4.083 4.710 0.020 19 0 "[ . 1 . 2]" 1
234 1 11 LEU QD 1 86 ALA HA . . 3.830 2.883 2.570 3.169 . 0 0 "[ . 1 . 2]" 1
235 1 11 LEU QD 1 86 ALA MB . . 3.210 2.184 1.929 2.735 . 0 0 "[ . 1 . 2]" 1
236 1 11 LEU QD 1 87 ALA H . . 4.120 4.053 3.787 4.169 0.049 7 0 "[ . 1 . 2]" 1
237 1 11 LEU HG 1 59 VAL QG . . 5.500 4.397 2.702 5.430 . 0 0 "[ . 1 . 2]" 1
238 1 11 LEU HG 1 86 ALA HA . . 5.480 4.499 3.824 5.311 . 0 0 "[ . 1 . 2]" 1
239 1 12 SER H 1 12 SER HB3 . . 4.100 3.865 3.098 4.068 . 0 0 "[ . 1 . 2]" 1
240 1 12 SER H 1 13 ASN H . . 4.880 2.816 2.502 3.158 . 0 0 "[ . 1 . 2]" 1
241 1 12 SER H 1 84 ILE HA . . 4.650 4.453 4.030 4.710 0.060 20 0 "[ . 1 . 2]" 1
242 1 12 SER H 1 85 THR H . . 3.670 3.207 2.875 3.515 . 0 0 "[ . 1 . 2]" 1
243 1 12 SER H 1 86 ALA H . . 5.500 5.443 5.088 5.590 0.090 15 0 "[ . 1 . 2]" 1
244 1 12 SER H 1 86 ALA HA . . 4.170 3.918 3.589 4.227 0.057 10 0 "[ . 1 . 2]" 1
245 1 12 SER H 1 86 ALA MB . . 5.500 4.778 4.431 5.263 . 0 0 "[ . 1 . 2]" 1
246 1 12 SER HA 1 13 ASN H . . 3.280 2.725 2.457 3.060 . 0 0 "[ . 1 . 2]" 1
247 1 12 SER HA 1 13 ASN HA . . 4.630 4.277 4.000 4.558 . 0 0 "[ . 1 . 2]" 1
248 1 12 SER HA 1 14 MET H . . 4.860 4.414 3.978 4.943 0.083 1 0 "[ . 1 . 2]" 1
249 1 12 SER HA 1 56 ASN HA . . 3.530 2.340 2.079 2.558 . 0 0 "[ . 1 . 2]" 1
250 1 12 SER HA 1 56 ASN HB3 . . 5.410 4.160 3.660 4.494 . 0 0 "[ . 1 . 2]" 1
251 1 12 SER HA 1 56 ASN QD . . 4.400 2.016 1.706 2.619 . 0 0 "[ . 1 . 2]" 1
252 1 12 SER HA 1 57 VAL H . . 4.460 4.216 3.736 4.543 0.083 19 0 "[ . 1 . 2]" 1
253 1 12 SER HA 1 57 VAL QG . . 5.500 4.874 4.409 5.322 . 0 0 "[ . 1 . 2]" 1
254 1 12 SER HB3 1 13 ASN HB3 . . 5.460 6.460 6.103 6.899 1.439 11 20 [**********+***-*****] 1
255 1 12 SER HB3 1 13 ASN HD21 . . 5.500 5.628 5.289 6.224 0.724 13 4 "[ * - 1* + . 2]" 1
256 1 12 SER HB3 1 54 GLN HG3 . . 5.500 5.173 2.347 7.140 1.640 11 1 "[ . 1+ . 2]" 1
257 1 12 SER HB3 1 56 ASN HA . . 5.260 4.618 4.137 5.058 . 0 0 "[ . 1 . 2]" 1
258 1 12 SER HB3 1 56 ASN QD . . 5.340 2.691 2.176 3.137 . 0 0 "[ . 1 . 2]" 1
259 1 13 ASN H 1 14 MET H . . 3.520 2.136 1.713 2.816 . 0 0 "[ . 1 . 2]" 1
260 1 13 ASN H 1 15 PHE H . . 4.900 4.458 4.111 4.878 . 0 0 "[ . 1 . 2]" 1
261 1 13 ASN H 1 55 GLY HA2 . . 4.720 4.746 4.417 4.806 0.086 2 0 "[ . 1 . 2]" 1
262 1 13 ASN H 1 55 GLY HA3 . . 4.400 3.441 3.109 3.548 . 0 0 "[ . 1 . 2]" 1
263 1 13 ASN H 1 56 ASN HA . . 4.580 3.653 3.254 4.014 . 0 0 "[ . 1 . 2]" 1
264 1 13 ASN H 1 85 THR H . . 5.500 4.931 4.280 5.413 . 0 0 "[ . 1 . 2]" 1
265 1 13 ASN HA 1 13 ASN HD22 . . 4.690 4.136 3.404 4.552 . 0 0 "[ . 1 . 2]" 1
266 1 13 ASN HA 1 15 PHE H . . 4.210 3.777 3.426 4.250 0.040 3 0 "[ . 1 . 2]" 1
267 1 13 ASN HA 1 55 GLY HA3 . . 4.250 2.885 2.253 3.748 . 0 0 "[ . 1 . 2]" 1
268 1 13 ASN HB3 1 13 ASN HD22 . . 3.660 3.798 3.609 3.993 0.333 9 0 "[ . 1 . 2]" 1
269 1 13 ASN HB3 1 84 ILE H . . 5.500 5.211 4.108 5.650 0.150 18 0 "[ . 1 . 2]" 1
270 1 13 ASN HB3 1 84 ILE HA . . 3.630 3.186 2.544 3.611 . 0 0 "[ . 1 . 2]" 1
271 1 13 ASN HB3 1 84 ILE HG13 . . 5.380 5.219 4.890 5.584 0.204 14 0 "[ . 1 . 2]" 1
272 1 13 ASN HB3 1 84 ILE MG . . 4.080 4.333 4.104 4.523 0.443 1 0 "[ . 1 . 2]" 1
273 1 13 ASN HB3 1 85 THR H . . 4.620 4.577 3.955 5.034 0.414 18 0 "[ . 1 . 2]" 1
274 1 13 ASN HD21 1 82 LYS HA . . 5.500 5.178 4.707 5.533 0.033 16 0 "[ . 1 . 2]" 1
275 1 13 ASN HD21 1 82 LYS HG3 . . 5.500 4.029 2.751 5.585 0.085 2 0 "[ . 1 . 2]" 1
276 1 13 ASN HD21 1 83 MET H . . 4.760 3.724 3.126 4.631 . 0 0 "[ . 1 . 2]" 1
277 1 13 ASN HD21 1 84 ILE HA . . 5.250 3.712 3.092 4.741 . 0 0 "[ . 1 . 2]" 1
278 1 13 ASN HD21 1 85 THR MG . . 4.600 4.206 3.371 5.590 0.990 3 1 "[ + . 1 . 2]" 1
279 1 13 ASN HD22 1 82 LYS HA . . 5.500 4.868 4.259 5.576 0.076 13 0 "[ . 1 . 2]" 1
280 1 13 ASN HD22 1 82 LYS HG3 . . 5.500 4.261 3.390 5.551 0.051 8 0 "[ . 1 . 2]" 1
281 1 13 ASN HD22 1 83 MET H . . 4.580 3.805 3.217 4.645 0.065 8 0 "[ . 1 . 2]" 1
282 1 13 ASN HD22 1 85 THR MG . . 5.500 4.966 3.198 5.591 0.091 16 0 "[ . 1 . 2]" 1
283 1 14 MET H 1 14 MET ME . . 4.720 4.663 4.119 4.820 0.100 4 0 "[ . 1 . 2]" 1
284 1 14 MET H 1 14 MET HG3 . . 4.080 3.879 3.314 4.479 0.399 14 0 "[ . 1 . 2]" 1
285 1 14 MET H 1 15 PHE H . . 3.480 2.567 1.891 3.092 . 0 0 "[ . 1 . 2]" 1
286 1 14 MET H 1 15 PHE HA . . 5.500 5.187 4.629 5.468 . 0 0 "[ . 1 . 2]" 1
287 1 14 MET H 1 15 PHE QD . . 5.180 3.930 3.234 5.178 . 0 0 "[ . 1 . 2]" 1
288 1 14 MET H 1 29 ILE MD . . 5.500 5.563 5.300 5.609 0.109 17 0 "[ . 1 . 2]" 1
289 1 14 MET H 1 29 ILE MG . . 4.970 4.890 4.670 5.060 0.090 8 0 "[ . 1 . 2]" 1
290 1 14 MET H 1 55 GLY H . . 5.270 5.267 4.959 5.364 0.094 4 0 "[ . 1 . 2]" 1
291 1 14 MET H 1 55 GLY HA2 . . 4.250 3.783 3.270 4.257 0.007 4 0 "[ . 1 . 2]" 1
292 1 14 MET H 1 55 GLY HA3 . . 3.860 2.694 2.211 2.960 . 0 0 "[ . 1 . 2]" 1
293 1 14 MET H 1 56 ASN HA . . 5.500 4.533 4.150 5.542 0.042 1 0 "[ . 1 . 2]" 1
294 1 14 MET H 1 57 VAL QG . . 5.500 3.835 3.198 4.908 . 0 0 "[ . 1 . 2]" 1
295 1 14 MET HA 1 14 MET ME . . 3.770 2.678 2.054 3.174 . 0 0 "[ . 1 . 2]" 1
296 1 14 MET HA 1 14 MET HG3 . . 4.220 3.666 3.471 3.713 . 0 0 "[ . 1 . 2]" 1
297 1 14 MET HA 1 15 PHE QD . . 5.190 4.499 4.068 5.118 . 0 0 "[ . 1 . 2]" 1
298 1 14 MET HA 1 29 ILE MG . . 5.270 4.003 3.566 4.419 . 0 0 "[ . 1 . 2]" 1
299 1 14 MET HA 1 79 PHE QD . . 5.330 4.612 3.331 5.346 0.016 9 0 "[ . 1 . 2]" 1
300 1 14 MET ME 1 14 MET HG3 . . 3.960 2.649 2.417 3.307 . 0 0 "[ . 1 . 2]" 1
301 1 14 MET ME 1 15 PHE QD . . 4.740 4.721 4.395 4.864 0.124 9 0 "[ . 1 . 2]" 1
302 1 14 MET ME 1 29 ILE HA . . 4.470 3.541 2.953 3.854 . 0 0 "[ . 1 . 2]" 1
303 1 14 MET ME 1 32 ASP HB3 . . 4.390 2.971 2.364 3.479 . 0 0 "[ . 1 . 2]" 1
304 1 14 MET ME 1 33 VAL H . . 4.780 4.091 3.652 4.873 0.093 13 0 "[ . 1 . 2]" 1
305 1 14 MET ME 1 79 PHE QD . . 3.970 3.956 3.442 4.078 0.108 9 0 "[ . 1 . 2]" 1
306 1 14 MET ME 1 79 PHE QE . . 4.890 2.534 2.221 3.074 . 0 0 "[ . 1 . 2]" 1
307 1 14 MET ME 1 79 PHE HZ . . 5.140 2.636 2.129 3.507 . 0 0 "[ . 1 . 2]" 1
308 1 14 MET HG3 1 15 PHE QD . . 5.420 4.668 4.239 5.195 . 0 0 "[ . 1 . 2]" 1
309 1 14 MET HG3 1 57 VAL QG . . 4.480 2.410 2.033 2.847 . 0 0 "[ . 1 . 2]" 1
310 1 15 PHE H 1 15 PHE QD . . 4.610 3.325 3.079 4.384 . 0 0 "[ . 1 . 2]" 1
311 1 15 PHE H 1 16 ASN H . . 5.010 4.305 4.179 4.404 . 0 0 "[ . 1 . 2]" 1
312 1 15 PHE H 1 16 ASN HA . . 5.500 4.544 4.304 4.670 . 0 0 "[ . 1 . 2]" 1
313 1 15 PHE H 1 29 ILE MD . . 5.500 4.599 4.399 4.955 . 0 0 "[ . 1 . 2]" 1
314 1 15 PHE H 1 29 ILE MG . . 5.500 4.919 4.656 5.273 . 0 0 "[ . 1 . 2]" 1
315 1 15 PHE H 1 55 GLY H . . 5.350 5.011 4.323 5.421 0.071 8 0 "[ . 1 . 2]" 1
316 1 15 PHE H 1 55 GLY HA2 . . 4.120 3.415 2.967 3.892 . 0 0 "[ . 1 . 2]" 1
317 1 15 PHE H 1 55 GLY HA3 . . 3.630 2.704 2.021 3.489 . 0 0 "[ . 1 . 2]" 1
318 1 15 PHE HA 1 15 PHE QD . . 4.070 3.749 3.166 3.856 . 0 0 "[ . 1 . 2]" 1
319 1 15 PHE HA 1 16 ASN H . . 3.070 2.533 2.325 2.683 . 0 0 "[ . 1 . 2]" 1
320 1 15 PHE HA 1 29 ILE MD . . 4.540 3.502 2.765 4.119 . 0 0 "[ . 1 . 2]" 1
321 1 15 PHE HB3 1 16 ASN H . . 3.810 3.638 2.742 3.792 . 0 0 "[ . 1 . 2]" 1
322 1 15 PHE HB3 1 29 ILE MD . . 4.230 2.179 1.970 4.244 0.014 9 0 "[ . 1 . 2]" 1
323 1 15 PHE QD 1 16 ASN H . . 4.260 3.241 2.125 3.783 . 0 0 "[ . 1 . 2]" 1
324 1 15 PHE QD 1 16 ASN HA . . 5.500 3.779 3.057 4.160 . 0 0 "[ . 1 . 2]" 1
325 1 15 PHE QD 1 17 PRO HA . . 4.430 4.016 3.552 4.508 0.078 20 0 "[ . 1 . 2]" 1
326 1 15 PHE QD 1 29 ILE MD . . 3.690 2.685 1.986 3.148 . 0 0 "[ . 1 . 2]" 1
327 1 15 PHE QD 1 29 ILE MG . . 4.290 2.635 2.244 3.205 . 0 0 "[ . 1 . 2]" 1
328 1 15 PHE QD 1 57 VAL QG . . 4.410 3.584 2.943 4.384 . 0 0 "[ . 1 . 2]" 1
329 1 16 ASN H 1 16 ASN QD . . 5.300 3.917 2.541 5.043 . 0 0 "[ . 1 . 2]" 1
330 1 16 ASN H 1 18 GLN H . . 5.500 4.596 4.143 5.207 . 0 0 "[ . 1 . 2]" 1
331 1 16 ASN H 1 19 THR H . . 4.760 4.152 3.432 4.809 0.049 9 0 "[ . 1 . 2]" 1
332 1 16 ASN H 1 19 THR HB . . 4.590 3.655 2.658 4.648 0.058 19 0 "[ . 1 . 2]" 1
333 1 16 ASN H 1 29 ILE MD . . 5.500 4.723 4.252 5.155 . 0 0 "[ . 1 . 2]" 1
334 1 16 ASN HA 1 17 PRO HA . . 4.870 4.364 4.241 4.497 . 0 0 "[ . 1 . 2]" 1
335 1 16 ASN HA 1 17 PRO HB3 . . 4.900 4.835 4.611 4.956 0.056 20 0 "[ . 1 . 2]" 1
336 1 16 ASN HA 1 17 PRO HD3 . . 3.410 2.356 2.251 2.486 . 0 0 "[ . 1 . 2]" 1
337 1 16 ASN HA 1 18 GLN H . . 4.830 4.146 3.796 4.574 . 0 0 "[ . 1 . 2]" 1
338 1 16 ASN HA 1 55 GLY H . . 5.500 5.054 4.488 5.557 0.057 16 0 "[ . 1 . 2]" 1
339 1 16 ASN HA 1 55 GLY HA2 . . 4.910 4.904 4.408 4.993 0.083 16 0 "[ . 1 . 2]" 1
340 1 16 ASN HB3 1 17 PRO HD3 . . 4.090 3.950 3.377 4.547 0.457 13 0 "[ . 1 . 2]" 1
341 1 16 ASN HB3 1 18 GLN H . . 5.130 3.255 2.370 4.746 . 0 0 "[ . 1 . 2]" 1
342 1 16 ASN HB3 1 19 THR H . . 5.360 4.484 3.031 5.441 0.081 3 0 "[ . 1 . 2]" 1
343 1 16 ASN HB3 1 19 THR HB . . 4.620 4.569 3.746 6.395 1.775 14 1 "[ . 1 +. 2]" 1
344 1 16 ASN QD 1 18 GLN H . . 5.500 4.208 2.467 5.107 . 0 0 "[ . 1 . 2]" 1
345 1 16 ASN QD 1 18 GLN HB3 . . 5.300 5.752 3.558 6.659 1.359 14 13 "[***-. * ** +*** **]" 1
346 1 16 ASN QD 1 19 THR MG . . 4.330 3.263 1.965 4.152 . 0 0 "[ . 1 . 2]" 1
347 1 17 PRO HA 1 18 GLN H . . 3.400 3.393 3.239 3.492 0.092 17 0 "[ . 1 . 2]" 1
348 1 17 PRO HB3 1 18 GLN H . . 4.450 4.469 4.123 4.534 0.084 3 0 "[ . 1 . 2]" 1
349 1 17 PRO HD3 1 18 GLN H . . 4.260 4.096 3.873 4.304 0.044 3 0 "[ . 1 . 2]" 1
350 1 18 GLN H 1 18 GLN HB3 . . 3.250 3.694 3.046 3.826 0.576 6 9 "[* *-.+ * *.* **]" 1
351 1 18 GLN H 1 18 GLN HG3 . . 3.880 2.926 2.527 3.352 . 0 0 "[ . 1 . 2]" 1
352 1 18 GLN H 1 19 THR H . . 3.380 2.462 2.012 2.931 . 0 0 "[ . 1 . 2]" 1
353 1 18 GLN H 1 19 THR MG . . 5.500 4.289 3.096 5.538 0.038 17 0 "[ . 1 . 2]" 1
354 1 18 GLN HA 1 18 GLN HE21 . . 5.410 5.086 4.248 5.474 0.064 9 0 "[ . 1 . 2]" 1
355 1 18 GLN HA 1 18 GLN HG3 . . 3.630 3.288 2.784 3.707 0.077 12 0 "[ . 1 . 2]" 1
356 1 18 GLN HA 1 19 THR H . . 3.070 3.023 2.665 3.161 0.091 14 0 "[ . 1 . 2]" 1
357 1 18 GLN HA 1 19 THR MG . . 5.500 5.098 4.424 5.626 0.126 13 0 "[ . 1 . 2]" 1
358 1 18 GLN HA 1 20 GLU H . . 4.720 4.035 3.475 4.807 0.087 9 0 "[ . 1 . 2]" 1
359 1 18 GLN HB3 1 19 THR H . . 4.270 4.400 4.118 4.458 0.188 16 0 "[ . 1 . 2]" 1
360 1 18 GLN HB3 1 19 THR MG . . 5.350 5.227 3.604 5.964 0.614 3 1 "[ + . 1 . 2]" 1
361 1 18 GLN HG3 1 19 THR H . . 5.140 4.877 3.828 5.246 0.106 19 0 "[ . 1 . 2]" 1
362 1 19 THR H 1 19 THR HB . . 3.960 3.207 2.230 3.809 . 0 0 "[ . 1 . 2]" 1
363 1 19 THR H 1 19 THR MG . . 4.190 3.286 1.981 4.028 . 0 0 "[ . 1 . 2]" 1
364 1 19 THR H 1 20 GLU H . . 3.540 3.069 2.135 3.599 0.059 2 0 "[ . 1 . 2]" 1
365 1 19 THR HA 1 19 THR MG . . 3.320 2.544 2.148 3.291 . 0 0 "[ . 1 . 2]" 1
366 1 19 THR HA 1 20 GLU H . . 3.390 2.574 2.098 3.349 . 0 0 "[ . 1 . 2]" 1
367 1 19 THR HB 1 20 GLU H . . 4.610 4.455 3.998 4.653 0.043 19 0 "[ . 1 . 2]" 1
368 1 19 THR MG 1 20 GLU H . . 4.540 4.113 3.015 4.446 . 0 0 "[ . 1 . 2]" 1
369 1 20 GLU H 1 20 GLU HG3 . . 4.470 3.288 2.104 4.524 0.054 7 0 "[ . 1 . 2]" 1
370 1 20 GLU H 1 21 GLU H . . 4.200 3.777 2.086 4.295 0.095 9 0 "[ . 1 . 2]" 1
371 1 20 GLU HA 1 21 GLU H . . 3.310 2.374 2.067 3.143 . 0 0 "[ . 1 . 2]" 1
372 1 20 GLU HA 1 21 GLU HA . . 4.800 4.470 4.261 4.711 . 0 0 "[ . 1 . 2]" 1
373 1 20 GLU HA 1 21 GLU HB3 . . 5.500 5.236 4.555 6.304 0.804 4 1 "[ +. 1 . 2]" 1
374 1 20 GLU HA 1 25 TRP HE1 . . 5.500 4.567 2.790 5.579 0.079 20 0 "[ . 1 . 2]" 1
375 1 21 GLU H 1 21 GLU HB3 . . 3.270 3.173 2.316 3.651 0.381 19 0 "[ . 1 . 2]" 1
376 1 21 GLU H 1 21 GLU HG3 . . 5.340 4.143 2.183 5.237 . 0 0 "[ . 1 . 2]" 1
377 1 21 GLU HA 1 21 GLU HG3 . . 3.550 2.772 2.226 3.668 0.118 5 0 "[ . 1 . 2]" 1
378 1 21 GLU HA 1 22 GLU H . . 2.900 2.943 2.749 2.992 0.092 19 0 "[ . 1 . 2]" 1
379 1 21 GLU HB3 1 22 GLU H . . 4.240 3.546 1.881 4.371 0.131 4 0 "[ . 1 . 2]" 1
380 1 22 GLU H 1 22 GLU HB3 . . 3.550 3.188 2.344 3.900 0.350 5 0 "[ . 1 . 2]" 1
381 1 22 GLU H 1 22 GLU HG3 . . 3.920 3.383 2.868 4.067 0.147 12 0 "[ . 1 . 2]" 1
382 1 22 GLU H 1 23 VAL H . . 4.490 4.359 3.952 4.547 0.057 15 0 "[ . 1 . 2]" 1
383 1 22 GLU H 1 25 TRP HD1 . . 4.800 3.854 2.492 4.696 . 0 0 "[ . 1 . 2]" 1
384 1 22 GLU HA 1 22 GLU HG3 . . 3.830 3.568 2.261 3.785 . 0 0 "[ . 1 . 2]" 1
385 1 22 GLU HA 1 23 VAL H . . 2.650 2.455 2.145 2.734 0.084 9 0 "[ . 1 . 2]" 1
386 1 22 GLU HA 1 23 VAL QG . . 4.550 3.727 3.276 4.133 . 0 0 "[ . 1 . 2]" 1
387 1 22 GLU HG3 1 23 VAL H . . 5.150 3.713 1.845 5.196 0.046 5 0 "[ . 1 . 2]" 1
388 1 23 VAL H 1 23 VAL HB . . 2.930 2.674 2.315 2.988 0.058 5 0 "[ . 1 . 2]" 1
389 1 23 VAL H 1 23 VAL QG . . 3.490 2.108 1.791 2.785 . 0 0 "[ . 1 . 2]" 1
390 1 23 VAL H 1 24 GLY H . . 4.510 4.280 3.659 4.566 0.056 4 0 "[ . 1 . 2]" 1
391 1 23 VAL HA 1 23 VAL QG . . 3.260 2.250 2.075 2.479 . 0 0 "[ . 1 . 2]" 1
392 1 23 VAL HA 1 24 GLY H . . 2.800 2.226 2.069 2.362 . 0 0 "[ . 1 . 2]" 1
393 1 23 VAL HA 1 25 TRP HD1 . . 4.310 3.648 2.912 4.395 0.085 9 0 "[ . 1 . 2]" 1
394 1 23 VAL HA 1 25 TRP HE1 . . 5.500 5.212 4.708 5.574 0.074 13 0 "[ . 1 . 2]" 1
395 1 23 VAL HB 1 24 GLY H . . 4.710 4.311 3.937 4.537 . 0 0 "[ . 1 . 2]" 1
396 1 23 VAL QG 1 24 GLY H . . 3.600 2.950 2.327 3.511 . 0 0 "[ . 1 . 2]" 1
397 1 23 VAL QG 1 24 GLY HA2 . . 4.870 3.723 3.299 4.315 . 0 0 "[ . 1 . 2]" 1
398 1 23 VAL QG 1 24 GLY HA3 . . 4.790 3.618 2.933 4.413 . 0 0 "[ . 1 . 2]" 1
399 1 24 GLY H 1 25 TRP HD1 . . 5.040 3.371 2.770 3.997 . 0 0 "[ . 1 . 2]" 1
400 1 24 GLY H 1 25 TRP HE1 . . 5.500 5.120 4.638 5.578 0.078 2 0 "[ . 1 . 2]" 1
401 1 24 GLY H 1 26 ASP H . . 4.800 4.259 3.756 4.771 . 0 0 "[ . 1 . 2]" 1
402 1 24 GLY HA2 1 26 ASP H . . 5.120 3.452 2.953 3.729 . 0 0 "[ . 1 . 2]" 1
403 1 24 GLY HA3 1 26 ASP H . . 4.810 4.292 3.738 4.644 . 0 0 "[ . 1 . 2]" 1
404 1 24 GLY HA3 1 27 THR H . . 4.580 4.648 4.097 4.931 0.351 12 0 "[ . 1 . 2]" 1
405 1 25 TRP HA 1 25 TRP HB3 . . 3.020 2.424 2.282 2.507 . 0 0 "[ . 1 . 2]" 1
406 1 25 TRP HA 1 25 TRP HD1 . . 4.930 4.484 4.238 4.624 . 0 0 "[ . 1 . 2]" 1
407 1 25 TRP HA 1 25 TRP HE3 . . 4.510 4.347 4.210 4.499 . 0 0 "[ . 1 . 2]" 1
408 1 25 TRP HA 1 27 THR H . . 4.400 3.626 3.200 4.456 0.056 6 0 "[ . 1 . 2]" 1
409 1 25 TRP HA 1 28 GLU H . . 4.420 3.820 3.457 4.405 . 0 0 "[ . 1 . 2]" 1
410 1 25 TRP HA 1 28 GLU HG3 . . 4.120 3.967 3.141 4.210 0.090 3 0 "[ . 1 . 2]" 1
411 1 25 TRP HA 1 29 ILE H . . 5.500 5.088 4.695 5.513 0.013 15 0 "[ . 1 . 2]" 1
412 1 25 TRP HA 1 29 ILE MD . . 5.500 5.170 4.381 5.577 0.077 12 0 "[ . 1 . 2]" 1
413 1 25 TRP HB3 1 26 ASP H . . 5.500 4.492 4.359 4.650 . 0 0 "[ . 1 . 2]" 1
414 1 25 TRP HE3 1 26 ASP HA . . 4.040 3.748 2.625 4.122 0.082 2 0 "[ . 1 . 2]" 1
415 1 25 TRP HE3 1 26 ASP HB3 . . 5.500 5.308 3.435 6.496 0.996 5 3 "[ +* 1 . -]" 1
416 1 25 TRP HE3 1 29 ILE HB . . 4.800 4.313 3.711 4.848 0.048 11 0 "[ . 1 . 2]" 1
417 1 25 TRP HE3 1 29 ILE MD . . 3.760 2.246 1.962 3.091 . 0 0 "[ . 1 . 2]" 1
418 1 25 TRP HE3 1 48 VAL QG . . 5.500 4.061 2.984 4.742 . 0 0 "[ . 1 . 2]" 1
419 1 25 TRP HH2 1 29 ILE MD . . 5.430 4.368 3.922 5.411 . 0 0 "[ . 1 . 2]" 1
420 1 25 TRP HH2 1 48 VAL QG . . 4.060 3.831 3.285 4.091 0.031 3 0 "[ . 1 . 2]" 1
421 1 25 TRP HH2 1 50 LYS H . . 5.500 4.766 2.788 5.549 0.049 8 0 "[ . 1 . 2]" 1
422 1 25 TRP HH2 1 50 LYS HA . . 3.590 2.515 2.077 3.579 . 0 0 "[ . 1 . 2]" 1
423 1 25 TRP HH2 1 50 LYS HG3 . . 5.020 4.296 3.215 5.089 0.069 13 0 "[ . 1 . 2]" 1
424 1 25 TRP HZ2 1 48 VAL QG . . 5.450 5.142 4.758 5.370 . 0 0 "[ . 1 . 2]" 1
425 1 25 TRP HZ2 1 50 LYS H . . 5.380 5.149 4.174 5.460 0.080 12 0 "[ . 1 . 2]" 1
426 1 25 TRP HZ2 1 50 LYS HA . . 3.680 3.598 2.955 3.761 0.081 9 0 "[ . 1 . 2]" 1
427 1 25 TRP HZ2 1 50 LYS HG3 . . 4.640 3.678 2.735 4.434 . 0 0 "[ . 1 . 2]" 1
428 1 25 TRP HZ3 1 29 ILE MD . . 3.880 2.359 2.019 3.973 0.093 9 0 "[ . 1 . 2]" 1
429 1 25 TRP HZ3 1 29 ILE MG . . 5.500 4.095 3.370 4.790 . 0 0 "[ . 1 . 2]" 1
430 1 25 TRP HZ3 1 48 VAL QG . . 4.010 3.179 2.138 3.743 . 0 0 "[ . 1 . 2]" 1
431 1 25 TRP HZ3 1 50 LYS HA . . 5.300 4.465 3.761 5.171 . 0 0 "[ . 1 . 2]" 1
432 1 26 ASP H 1 26 ASP HB3 . . 3.640 2.753 2.239 3.252 . 0 0 "[ . 1 . 2]" 1
433 1 26 ASP H 1 27 THR H . . 3.220 2.386 2.164 2.546 . 0 0 "[ . 1 . 2]" 1
434 1 26 ASP H 1 27 THR HB . . 5.080 4.731 4.321 5.153 0.073 6 0 "[ . 1 . 2]" 1
435 1 26 ASP H 1 27 THR MG . . 5.500 5.577 5.434 5.612 0.112 13 0 "[ . 1 . 2]" 1
436 1 26 ASP H 1 28 GLU H . . 5.240 4.479 4.159 4.818 . 0 0 "[ . 1 . 2]" 1
437 1 26 ASP HA 1 28 GLU H . . 4.390 4.301 3.657 4.473 0.083 20 0 "[ . 1 . 2]" 1
438 1 26 ASP HA 1 29 ILE H . . 4.340 3.789 3.266 4.407 0.067 19 0 "[ . 1 . 2]" 1
439 1 26 ASP HA 1 29 ILE HB . . 3.440 3.177 2.632 3.542 0.102 12 0 "[ . 1 . 2]" 1
440 1 26 ASP HA 1 29 ILE MD . . 4.430 3.598 2.570 4.499 0.069 12 0 "[ . 1 . 2]" 1
441 1 26 ASP HA 1 30 LYS H . . 5.010 3.986 3.320 4.494 . 0 0 "[ . 1 . 2]" 1
442 1 26 ASP HA 1 48 VAL QG . . 3.980 2.783 2.238 3.526 . 0 0 "[ . 1 . 2]" 1
443 1 26 ASP HB3 1 27 THR H . . 5.000 4.070 2.671 4.689 . 0 0 "[ . 1 . 2]" 1
444 1 26 ASP HB3 1 48 VAL HB . . 5.260 4.661 2.903 5.388 0.128 6 0 "[ . 1 . 2]" 1
445 1 27 THR H 1 27 THR HB . . 3.230 2.538 2.175 2.890 . 0 0 "[ . 1 . 2]" 1
446 1 27 THR H 1 27 THR MG . . 3.920 3.714 3.636 3.862 . 0 0 "[ . 1 . 2]" 1
447 1 27 THR H 1 28 GLU H . . 3.420 2.715 2.411 2.918 . 0 0 "[ . 1 . 2]" 1
448 1 27 THR H 1 28 GLU HG3 . . 5.500 5.266 3.988 5.574 0.074 9 0 "[ . 1 . 2]" 1
449 1 27 THR HA 1 27 THR MG . . 3.190 2.409 2.196 2.705 . 0 0 "[ . 1 . 2]" 1
450 1 27 THR HA 1 30 LYS H . . 4.100 3.914 3.635 4.171 0.071 19 0 "[ . 1 . 2]" 1
451 1 27 THR HA 1 31 ASP H . . 4.670 4.178 3.909 4.537 . 0 0 "[ . 1 . 2]" 1
452 1 27 THR HB 1 28 GLU H . . 3.290 2.831 2.432 3.332 0.042 9 0 "[ . 1 . 2]" 1
453 1 27 THR MG 1 28 GLU H . . 4.370 3.677 3.099 4.205 . 0 0 "[ . 1 . 2]" 1
454 1 27 THR MG 1 31 ASP H . . 4.820 4.459 4.017 4.921 0.101 9 0 "[ . 1 . 2]" 1
455 1 27 THR MG 1 111 SER H . . 5.000 4.607 3.764 5.084 0.084 13 0 "[ . 1 . 2]" 1
456 1 27 THR MG 1 111 SER HB3 . . 4.280 3.570 2.209 4.362 0.082 18 0 "[ . 1 . 2]" 1
457 1 27 THR MG 1 112 ARG H . . 5.500 4.818 3.482 5.568 0.068 4 0 "[ . 1 . 2]" 1
458 1 28 GLU H 1 28 GLU HG3 . . 3.710 3.229 2.392 3.783 0.073 9 0 "[ . 1 . 2]" 1
459 1 28 GLU H 1 29 ILE H . . 3.070 2.715 2.360 3.073 0.003 12 0 "[ . 1 . 2]" 1
460 1 28 GLU H 1 29 ILE HA . . 5.500 5.322 4.982 5.580 0.080 12 0 "[ . 1 . 2]" 1
461 1 28 GLU H 1 29 ILE HB . . 5.100 4.761 4.184 5.168 0.068 13 0 "[ . 1 . 2]" 1
462 1 28 GLU H 1 31 ASP H . . 5.500 4.640 4.344 4.902 . 0 0 "[ . 1 . 2]" 1
463 1 28 GLU HA 1 28 GLU HG3 . . 3.840 3.841 3.750 3.927 0.087 7 0 "[ . 1 . 2]" 1
464 1 28 GLU HA 1 30 LYS H . . 5.500 4.367 3.976 4.644 . 0 0 "[ . 1 . 2]" 1
465 1 28 GLU HA 1 31 ASP H . . 3.750 3.566 3.154 3.819 0.069 13 0 "[ . 1 . 2]" 1
466 1 28 GLU HA 1 31 ASP HB3 . . 4.180 3.016 2.495 3.769 . 0 0 "[ . 1 . 2]" 1
467 1 28 GLU HA 1 32 ASP H . . 4.640 4.361 4.031 4.712 0.072 19 0 "[ . 1 . 2]" 1
468 1 28 GLU HG3 1 29 ILE H . . 4.650 4.022 1.717 4.723 0.073 14 0 "[ . 1 . 2]" 1
469 1 29 ILE H 1 29 ILE HB . . 3.070 2.429 2.092 2.686 . 0 0 "[ . 1 . 2]" 1
470 1 29 ILE H 1 29 ILE MD . . 4.110 3.503 3.121 3.765 . 0 0 "[ . 1 . 2]" 1
471 1 29 ILE H 1 29 ILE MG . . 3.710 3.739 3.630 3.792 0.082 17 0 "[ . 1 . 2]" 1
472 1 29 ILE H 1 30 LYS H . . 3.240 2.696 2.446 2.979 . 0 0 "[ . 1 . 2]" 1
473 1 29 ILE H 1 31 ASP H . . 5.000 4.236 3.948 4.501 . 0 0 "[ . 1 . 2]" 1
474 1 29 ILE H 1 32 ASP H . . 5.500 4.948 4.702 5.260 . 0 0 "[ . 1 . 2]" 1
475 1 29 ILE HA 1 29 ILE MD . . 3.770 3.816 3.670 3.876 0.106 20 0 "[ . 1 . 2]" 1
476 1 29 ILE HA 1 29 ILE MG . . 3.350 2.468 2.162 2.706 . 0 0 "[ . 1 . 2]" 1
477 1 29 ILE HA 1 31 ASP H . . 5.160 4.480 3.995 4.816 . 0 0 "[ . 1 . 2]" 1
478 1 29 ILE HA 1 32 ASP H . . 3.970 3.630 3.001 3.980 0.010 9 0 "[ . 1 . 2]" 1
479 1 29 ILE HA 1 32 ASP HB3 . . 3.580 3.388 2.739 3.955 0.375 13 0 "[ . 1 . 2]" 1
480 1 29 ILE HA 1 33 VAL H . . 5.470 4.705 4.238 5.065 . 0 0 "[ . 1 . 2]" 1
481 1 29 ILE HA 1 79 PHE HZ . . 5.500 4.891 4.181 5.516 0.016 1 0 "[ . 1 . 2]" 1
482 1 29 ILE HB 1 29 ILE MD . . 3.130 2.406 2.190 2.620 . 0 0 "[ . 1 . 2]" 1
483 1 29 ILE HB 1 30 LYS H . . 3.460 2.874 2.523 3.278 . 0 0 "[ . 1 . 2]" 1
484 1 29 ILE HB 1 30 LYS HA . . 5.170 4.545 4.236 5.121 . 0 0 "[ . 1 . 2]" 1
485 1 29 ILE HB 1 48 VAL QG . . 5.220 2.661 2.209 3.292 . 0 0 "[ . 1 . 2]" 1
486 1 29 ILE MD 1 29 ILE MG . . 3.330 2.028 1.988 2.108 . 0 0 "[ . 1 . 2]" 1
487 1 29 ILE MD 1 30 LYS H . . 5.290 4.783 4.412 5.238 . 0 0 "[ . 1 . 2]" 1
488 1 29 ILE MD 1 48 VAL QG . . 4.450 2.771 2.169 3.592 . 0 0 "[ . 1 . 2]" 1
489 1 29 ILE MG 1 30 LYS H . . 3.900 3.615 3.294 3.945 0.045 17 0 "[ . 1 . 2]" 1
490 1 29 ILE MG 1 30 LYS HA . . 4.160 3.706 3.131 4.113 . 0 0 "[ . 1 . 2]" 1
491 1 29 ILE MG 1 32 ASP HB3 . . 5.500 4.067 3.267 4.646 . 0 0 "[ . 1 . 2]" 1
492 1 29 ILE MG 1 33 VAL H . . 5.000 4.639 4.118 5.035 0.035 8 0 "[ . 1 . 2]" 1
493 1 29 ILE MG 1 48 VAL QG . . 4.130 2.345 1.940 3.600 . 0 0 "[ . 1 . 2]" 1
494 1 29 ILE MG 1 79 PHE HZ . . 4.830 4.491 2.715 4.915 0.085 9 0 "[ . 1 . 2]" 1
495 1 30 LYS H 1 30 LYS HG3 . . 4.500 4.337 2.674 4.706 0.206 7 0 "[ . 1 . 2]" 1
496 1 30 LYS H 1 31 ASP H . . 3.530 2.577 2.276 2.756 . 0 0 "[ . 1 . 2]" 1
497 1 30 LYS H 1 32 ASP H . . 4.850 4.064 3.700 4.448 . 0 0 "[ . 1 . 2]" 1
498 1 30 LYS H 1 33 VAL H . . 5.500 5.176 4.869 5.448 . 0 0 "[ . 1 . 2]" 1
499 1 30 LYS H 1 33 VAL QG . . 5.330 5.065 4.737 5.280 . 0 0 "[ . 1 . 2]" 1
500 1 30 LYS H 1 34 ILE MD . . 5.500 5.522 5.083 5.597 0.097 15 0 "[ . 1 . 2]" 1
501 1 30 LYS H 1 48 VAL QG . . 4.070 3.360 2.845 3.910 . 0 0 "[ . 1 . 2]" 1
502 1 30 LYS HA 1 30 LYS HG3 . . 4.100 3.156 2.875 3.610 . 0 0 "[ . 1 . 2]" 1
503 1 30 LYS HA 1 32 ASP H . . 5.020 4.359 4.042 4.658 . 0 0 "[ . 1 . 2]" 1
504 1 30 LYS HA 1 33 VAL H . . 4.200 3.754 3.071 4.079 . 0 0 "[ . 1 . 2]" 1
505 1 30 LYS HA 1 33 VAL HB . . 3.870 3.500 2.481 3.943 0.073 15 0 "[ . 1 . 2]" 1
506 1 30 LYS HA 1 34 ILE MD . . 4.960 4.433 4.143 4.954 . 0 0 "[ . 1 . 2]" 1
507 1 30 LYS HA 1 48 VAL QG . . 3.510 3.347 2.764 3.565 0.055 7 0 "[ . 1 . 2]" 1
508 1 30 LYS HG3 1 31 ASP H . . 4.520 4.572 2.135 5.273 0.753 9 3 "[ . +1 * . -2]" 1
509 1 30 LYS HG3 1 34 ILE MD . . 3.530 3.374 2.949 3.941 0.411 11 0 "[ . 1 . 2]" 1
510 1 30 LYS HG3 1 46 ILE MD . . 4.110 2.579 2.113 4.219 0.109 5 0 "[ . 1 . 2]" 1
511 1 31 ASP H 1 31 ASP HB3 . . 3.700 2.622 2.153 3.159 . 0 0 "[ . 1 . 2]" 1
512 1 31 ASP H 1 32 ASP H . . 3.470 2.644 2.503 2.845 . 0 0 "[ . 1 . 2]" 1
513 1 31 ASP H 1 34 ILE H . . 5.500 4.823 4.681 5.047 . 0 0 "[ . 1 . 2]" 1
514 1 31 ASP H 1 34 ILE MD . . 5.370 4.114 3.478 4.509 . 0 0 "[ . 1 . 2]" 1
515 1 31 ASP HA 1 34 ILE H . . 4.040 3.431 3.051 3.709 . 0 0 "[ . 1 . 2]" 1
516 1 31 ASP HA 1 34 ILE HB . . 3.370 2.490 2.188 2.902 . 0 0 "[ . 1 . 2]" 1
517 1 31 ASP HA 1 34 ILE MD . . 3.480 2.518 2.040 2.888 . 0 0 "[ . 1 . 2]" 1
518 1 31 ASP HA 1 35 GLU H . . 4.420 4.189 3.941 4.498 0.078 8 0 "[ . 1 . 2]" 1
519 1 31 ASP HA 1 111 SER H . . 4.770 4.052 3.410 4.558 . 0 0 "[ . 1 . 2]" 1
520 1 31 ASP HB3 1 32 ASP H . . 4.010 2.674 2.326 3.242 . 0 0 "[ . 1 . 2]" 1
521 1 31 ASP HB3 1 110 PRO HA . . 5.380 5.109 4.113 5.526 0.146 8 0 "[ . 1 . 2]" 1
522 1 31 ASP HB3 1 111 SER H . . 5.500 4.520 3.705 4.960 . 0 0 "[ . 1 . 2]" 1
523 1 32 ASP H 1 32 ASP HB3 . . 3.250 2.824 2.582 3.545 0.295 13 0 "[ . 1 . 2]" 1
524 1 32 ASP H 1 34 ILE H . . 4.950 3.935 3.727 4.275 . 0 0 "[ . 1 . 2]" 1
525 1 32 ASP HA 1 33 VAL HA . . 5.360 4.787 4.684 4.896 . 0 0 "[ . 1 . 2]" 1
526 1 32 ASP HA 1 35 GLU H . . 3.990 3.579 3.079 3.983 . 0 0 "[ . 1 . 2]" 1
527 1 32 ASP HA 1 35 GLU HG3 . . 5.090 3.729 2.705 4.794 . 0 0 "[ . 1 . 2]" 1
528 1 32 ASP HA 1 36 GLU H . . 5.000 4.650 4.283 5.087 0.087 20 0 "[ . 1 . 2]" 1
529 1 32 ASP HB3 1 33 VAL H . . 3.750 2.564 2.214 3.793 0.043 13 0 "[ . 1 . 2]" 1
530 1 32 ASP HB3 1 33 VAL QG . . 4.420 2.962 2.505 4.347 . 0 0 "[ . 1 . 2]" 1
531 1 33 VAL H 1 33 VAL HB . . 3.190 2.496 2.315 2.874 . 0 0 "[ . 1 . 2]" 1
532 1 33 VAL H 1 33 VAL QG . . 3.130 2.154 1.960 2.351 . 0 0 "[ . 1 . 2]" 1
533 1 33 VAL H 1 34 ILE H . . 3.610 2.552 2.364 2.713 . 0 0 "[ . 1 . 2]" 1
534 1 33 VAL H 1 34 ILE HA . . 5.500 5.191 4.975 5.337 . 0 0 "[ . 1 . 2]" 1
535 1 33 VAL H 1 35 GLU H . . 4.860 4.225 4.010 4.496 . 0 0 "[ . 1 . 2]" 1
536 1 33 VAL H 1 36 GLU H . . 5.500 5.087 4.718 5.561 0.061 20 0 "[ . 1 . 2]" 1
537 1 33 VAL HA 1 33 VAL QG . . 3.070 2.132 2.052 2.196 . 0 0 "[ . 1 . 2]" 1
538 1 33 VAL HA 1 35 GLU H . . 5.430 4.425 3.923 4.715 . 0 0 "[ . 1 . 2]" 1
539 1 33 VAL HA 1 36 GLU H . . 4.100 3.518 3.000 4.189 0.089 13 0 "[ . 1 . 2]" 1
540 1 33 VAL HA 1 37 CYS H . . 4.680 4.102 3.643 4.598 . 0 0 "[ . 1 . 2]" 1
541 1 33 VAL HA 1 74 LEU QD . . 3.600 3.069 2.697 3.474 . 0 0 "[ . 1 . 2]" 1
542 1 33 VAL HB 1 34 ILE H . . 3.630 3.066 2.391 3.422 . 0 0 "[ . 1 . 2]" 1
543 1 33 VAL QG 1 34 ILE H . . 4.250 3.497 3.126 3.670 . 0 0 "[ . 1 . 2]" 1
544 1 33 VAL QG 1 36 GLU H . . 4.990 4.439 4.110 4.730 . 0 0 "[ . 1 . 2]" 1
545 1 33 VAL QG 1 37 CYS H . . 4.640 3.864 3.433 4.196 . 0 0 "[ . 1 . 2]" 1
546 1 33 VAL QG 1 37 CYS HB3 . . 3.500 4.208 3.425 4.940 1.440 5 13 "[*** +*** 1**- ** *]" 1
547 1 34 ILE H 1 34 ILE HB . . 3.390 2.397 2.268 2.553 . 0 0 "[ . 1 . 2]" 1
548 1 34 ILE H 1 34 ILE MD . . 3.860 3.685 3.321 3.938 0.078 9 0 "[ . 1 . 2]" 1
549 1 34 ILE H 1 34 ILE MG . . 3.850 3.753 3.676 3.821 . 0 0 "[ . 1 . 2]" 1
550 1 34 ILE H 1 35 GLU H . . 3.560 2.572 2.221 2.754 . 0 0 "[ . 1 . 2]" 1
551 1 34 ILE H 1 35 GLU HA . . 5.500 5.162 4.828 5.348 . 0 0 "[ . 1 . 2]" 1
552 1 34 ILE H 1 36 GLU H . . 5.330 4.244 3.777 4.779 . 0 0 "[ . 1 . 2]" 1
553 1 34 ILE HA 1 34 ILE MD . . 4.240 3.847 3.748 3.954 . 0 0 "[ . 1 . 2]" 1
554 1 34 ILE HA 1 34 ILE MG . . 3.380 2.515 2.373 2.652 . 0 0 "[ . 1 . 2]" 1
555 1 34 ILE HA 1 36 GLU H . . 5.270 4.504 4.045 4.872 . 0 0 "[ . 1 . 2]" 1
556 1 34 ILE HA 1 37 CYS H . . 4.250 3.304 2.804 3.856 . 0 0 "[ . 1 . 2]" 1
557 1 34 ILE HA 1 37 CYS HB3 . . 4.350 3.502 2.613 4.306 . 0 0 "[ . 1 . 2]" 1
558 1 34 ILE HA 1 38 ASN H . . 5.000 3.840 3.301 4.221 . 0 0 "[ . 1 . 2]" 1
559 1 34 ILE HA 1 43 VAL QG . . 3.250 2.575 2.025 3.166 . 0 0 "[ . 1 . 2]" 1
560 1 34 ILE HB 1 34 ILE MD . . 3.100 2.389 2.294 2.475 . 0 0 "[ . 1 . 2]" 1
561 1 34 ILE HB 1 35 GLU H . . 3.500 2.878 2.529 3.186 . 0 0 "[ . 1 . 2]" 1
562 1 34 ILE MD 1 38 ASN QD . . 5.500 4.624 4.140 5.351 . 0 0 "[ . 1 . 2]" 1
563 1 34 ILE MD 1 109 VAL H . . 4.380 3.189 2.922 3.566 . 0 0 "[ . 1 . 2]" 1
564 1 34 ILE MD 1 110 PRO HA . . 3.530 2.909 2.120 3.389 . 0 0 "[ . 1 . 2]" 1
565 1 34 ILE MD 1 111 SER H . . 4.640 4.552 3.775 4.745 0.105 5 0 "[ . 1 . 2]" 1
566 1 34 ILE MG 1 35 GLU H . . 3.990 3.342 3.138 3.672 . 0 0 "[ . 1 . 2]" 1
567 1 34 ILE MG 1 35 GLU HA . . 4.200 3.404 3.067 3.679 . 0 0 "[ . 1 . 2]" 1
568 1 34 ILE MG 1 35 GLU HG3 . . 5.500 5.209 4.233 5.438 . 0 0 "[ . 1 . 2]" 1
569 1 34 ILE MG 1 36 GLU H . . 5.500 5.081 4.777 5.473 . 0 0 "[ . 1 . 2]" 1
570 1 34 ILE MG 1 37 CYS H . . 5.500 4.671 4.267 5.151 . 0 0 "[ . 1 . 2]" 1
571 1 34 ILE MG 1 38 ASN H . . 5.220 3.808 3.172 4.035 . 0 0 "[ . 1 . 2]" 1
572 1 34 ILE MG 1 38 ASN QD . . 3.700 2.185 1.904 2.580 . 0 0 "[ . 1 . 2]" 1
573 1 34 ILE MG 1 43 VAL QG . . 3.550 2.828 2.196 3.487 . 0 0 "[ . 1 . 2]" 1
574 1 34 ILE MG 1 109 VAL H . . 4.570 3.609 2.633 4.118 . 0 0 "[ . 1 . 2]" 1
575 1 34 ILE MG 1 109 VAL HA . . 3.390 2.451 2.048 2.730 . 0 0 "[ . 1 . 2]" 1
576 1 34 ILE MG 1 109 VAL QG . . 4.610 3.616 3.244 3.845 . 0 0 "[ . 1 . 2]" 1
577 1 34 ILE MG 1 110 PRO HD3 . . 3.370 2.048 1.964 2.137 . 0 0 "[ . 1 . 2]" 1
578 1 34 ILE MG 1 110 PRO HG3 . . 4.360 3.428 2.860 4.010 . 0 0 "[ . 1 . 2]" 1
579 1 34 ILE MG 1 111 SER H . . 5.500 4.955 4.380 5.581 0.081 6 0 "[ . 1 . 2]" 1
580 1 35 GLU H 1 35 GLU HG3 . . 3.760 3.432 2.169 3.829 0.069 9 0 "[ . 1 . 2]" 1
581 1 35 GLU H 1 36 GLU H . . 3.560 2.862 2.686 3.117 . 0 0 "[ . 1 . 2]" 1
582 1 35 GLU H 1 37 CYS H . . 4.440 4.276 3.950 4.498 0.058 1 0 "[ . 1 . 2]" 1
583 1 35 GLU H 1 38 ASN H . . 5.500 4.812 4.626 5.048 . 0 0 "[ . 1 . 2]" 1
584 1 35 GLU HA 1 35 GLU HG3 . . 3.090 3.488 3.167 3.659 0.569 12 7 "[ * *** 1 + - * 2]" 1
585 1 35 GLU HA 1 37 CYS H . . 5.360 4.648 4.180 5.020 . 0 0 "[ . 1 . 2]" 1
586 1 35 GLU HA 1 38 ASN H . . 3.970 3.715 3.408 4.034 0.064 2 0 "[ . 1 . 2]" 1
587 1 35 GLU HA 1 38 ASN QD . . 4.300 3.170 1.871 3.793 . 0 0 "[ . 1 . 2]" 1
588 1 35 GLU HB3 1 36 GLU H . . 3.300 3.132 2.452 3.804 0.504 13 1 "[ . 1 + . 2]" 1
589 1 36 GLU H 1 37 CYS H . . 3.380 2.778 2.587 2.959 . 0 0 "[ . 1 . 2]" 1
590 1 36 GLU H 1 37 CYS HB3 . . 4.790 5.603 4.767 6.350 1.560 3 12 "[**+ * ** 1-** ** *]" 1
591 1 36 GLU H 1 39 LYS HG3 . . 5.500 5.502 4.315 6.207 0.707 7 4 "[ . + 1 * - *2]" 1
592 1 36 GLU HA 1 38 ASN H . . 4.800 4.379 4.198 4.559 . 0 0 "[ . 1 . 2]" 1
593 1 36 GLU HA 1 39 LYS HB3 . . 5.200 4.507 3.749 5.267 0.067 6 0 "[ . 1 . 2]" 1
594 1 36 GLU HB3 1 37 CYS H . . 4.000 3.020 2.525 3.938 . 0 0 "[ . 1 . 2]" 1
595 1 36 GLU HB3 1 40 HIS HD2 . . 4.200 3.731 2.289 4.297 0.097 12 0 "[ . 1 . 2]" 1
596 1 36 GLU HB3 1 70 ALA HA . . 4.770 4.564 3.806 5.514 0.744 15 2 "[ . -1 + 2]" 1
597 1 36 GLU HB3 1 73 ALA MB . . 4.250 4.007 2.925 4.355 0.105 13 0 "[ . 1 . 2]" 1
598 1 36 GLU HB3 1 74 LEU QD . . 4.220 2.744 2.143 3.600 . 0 0 "[ . 1 . 2]" 1
599 1 37 CYS H 1 37 CYS HB3 . . 3.140 2.989 2.169 3.524 0.384 8 0 "[ . 1 . 2]" 1
600 1 37 CYS H 1 40 HIS HD2 . . 5.380 4.461 3.925 4.914 . 0 0 "[ . 1 . 2]" 1
601 1 37 CYS H 1 43 VAL QG . . 4.750 4.290 3.848 4.647 . 0 0 "[ . 1 . 2]" 1
602 1 37 CYS H 1 70 ALA MB . . 5.500 4.701 4.120 5.591 0.091 19 0 "[ . 1 . 2]" 1
603 1 37 CYS HA 1 39 LYS H . . 4.570 4.171 3.565 4.617 0.047 2 0 "[ . 1 . 2]" 1
604 1 37 CYS HA 1 40 HIS H . . 4.180 3.462 2.925 4.001 . 0 0 "[ . 1 . 2]" 1
605 1 37 CYS HA 1 40 HIS HB3 . . 5.010 4.446 3.825 5.603 0.593 17 1 "[ . 1 . + 2]" 1
606 1 37 CYS HA 1 40 HIS HD2 . . 3.510 2.892 2.203 3.584 0.074 9 0 "[ . 1 . 2]" 1
607 1 37 CYS HA 1 43 VAL HB . . 5.370 4.847 4.319 5.484 0.114 20 0 "[ . 1 . 2]" 1
608 1 37 CYS HA 1 70 ALA HA . . 4.740 4.135 3.579 4.793 0.053 12 0 "[ . 1 . 2]" 1
609 1 37 CYS HA 1 70 ALA MB . . 4.080 3.095 2.467 3.914 . 0 0 "[ . 1 . 2]" 1
610 1 37 CYS HB3 1 38 ASN H . . 4.040 3.522 2.791 3.957 . 0 0 "[ . 1 . 2]" 1
611 1 37 CYS HB3 1 39 LYS H . . 5.500 5.467 4.934 5.879 0.379 16 0 "[ . 1 . 2]" 1
612 1 37 CYS HB3 1 40 HIS HD2 . . 5.500 5.339 4.571 6.225 0.725 6 2 "[ .+ 1 - 2]" 1
613 1 37 CYS HB3 1 42 GLY H . . 4.740 3.976 3.194 4.836 0.096 19 0 "[ . 1 . 2]" 1
614 1 37 CYS HB3 1 42 GLY HA2 . . 5.330 3.797 2.512 5.053 . 0 0 "[ . 1 . 2]" 1
615 1 37 CYS HB3 1 43 VAL H . . 5.500 4.458 3.216 5.538 0.038 10 0 "[ . 1 . 2]" 1
616 1 37 CYS HB3 1 43 VAL HB . . 3.440 2.834 2.166 3.833 0.393 20 0 "[ . 1 . 2]" 1
617 1 37 CYS HB3 1 43 VAL QG . . 3.610 2.691 1.877 3.440 . 0 0 "[ . 1 . 2]" 1
618 1 37 CYS HB3 1 59 VAL QG . . 4.450 4.451 3.790 5.102 0.652 11 4 "[ * * 1+ - 2]" 1
619 1 37 CYS HB3 1 70 ALA MB . . 4.930 4.198 2.908 5.011 0.081 6 0 "[ . 1 . 2]" 1
620 1 38 ASN H 1 38 ASN QD . . 4.630 3.417 2.296 4.191 . 0 0 "[ . 1 . 2]" 1
621 1 38 ASN H 1 39 LYS H . . 3.520 2.696 2.513 2.878 . 0 0 "[ . 1 . 2]" 1
622 1 38 ASN H 1 40 HIS H . . 4.790 4.123 3.822 4.512 . 0 0 "[ . 1 . 2]" 1
623 1 38 ASN H 1 40 HIS HD2 . . 5.360 5.324 5.006 5.438 0.078 8 0 "[ . 1 . 2]" 1
624 1 38 ASN H 1 42 GLY H . . 5.230 4.487 4.029 5.161 . 0 0 "[ . 1 . 2]" 1
625 1 38 ASN H 1 43 VAL QG . . 5.320 4.220 3.273 4.901 . 0 0 "[ . 1 . 2]" 1
626 1 38 ASN HA 1 40 HIS H . . 4.190 3.933 3.357 4.265 0.075 20 0 "[ . 1 . 2]" 1
627 1 38 ASN HA 1 41 GLY H . . 4.230 3.646 3.096 4.285 0.055 17 0 "[ . 1 . 2]" 1
628 1 38 ASN HA 1 42 GLY HA2 . . 3.430 2.777 2.181 3.489 0.059 4 0 "[ . 1 . 2]" 1
629 1 38 ASN HA 1 43 VAL QG . . 5.300 4.593 3.125 5.293 . 0 0 "[ . 1 . 2]" 1
630 1 38 ASN QD 1 109 VAL HA . . 3.960 2.686 1.987 3.477 . 0 0 "[ . 1 . 2]" 1
631 1 38 ASN QD 1 109 VAL QG . . 4.360 3.126 2.165 3.911 . 0 0 "[ . 1 . 2]" 1
632 1 38 ASN QD 1 110 PRO HD3 . . 4.610 2.145 1.767 2.622 . 0 0 "[ . 1 . 2]" 1
633 1 38 ASN QD 1 110 PRO HG3 . . 5.500 3.289 2.639 3.925 . 0 0 "[ . 1 . 2]" 1
634 1 39 LYS H 1 39 LYS HB3 . . 3.430 3.313 2.549 3.653 0.223 13 0 "[ . 1 . 2]" 1
635 1 39 LYS H 1 39 LYS HG3 . . 3.940 2.559 2.303 3.067 . 0 0 "[ . 1 . 2]" 1
636 1 39 LYS H 1 40 HIS HA . . 5.500 5.257 4.900 5.563 0.063 12 0 "[ . 1 . 2]" 1
637 1 39 LYS H 1 40 HIS HB3 . . 5.500 5.819 4.746 6.477 0.977 13 9 "[*** - 1* + .** *]" 1
638 1 39 LYS H 1 40 HIS HD2 . . 5.500 4.495 3.739 5.546 0.046 8 0 "[ . 1 . 2]" 1
639 1 39 LYS HA 1 39 LYS HG3 . . 3.950 3.215 2.699 3.944 . 0 0 "[ . 1 . 2]" 1
640 1 39 LYS HA 1 40 HIS HA . . 5.360 4.601 4.482 4.822 . 0 0 "[ . 1 . 2]" 1
641 1 39 LYS HA 1 41 GLY H . . 5.500 4.840 3.923 5.575 0.075 5 0 "[ . 1 . 2]" 1
642 1 39 LYS HB3 1 40 HIS H . . 4.400 4.083 3.227 4.477 0.077 6 0 "[ . 1 . 2]" 1
643 1 39 LYS HB3 1 40 HIS HD2 . . 5.450 5.392 4.940 5.540 0.090 12 0 "[ . 1 . 2]" 1
644 1 40 HIS H 1 40 HIS HB3 . . 3.630 3.470 2.576 3.875 0.245 17 0 "[ . 1 . 2]" 1
645 1 40 HIS H 1 40 HIS HD2 . . 4.800 3.423 2.886 4.027 . 0 0 "[ . 1 . 2]" 1
646 1 40 HIS H 1 41 GLY H . . 3.370 2.369 1.934 2.666 . 0 0 "[ . 1 . 2]" 1
647 1 40 HIS H 1 41 GLY HA3 . . 5.110 4.993 4.595 5.184 0.074 3 0 "[ . 1 . 2]" 1
648 1 40 HIS H 1 42 GLY H . . 3.990 3.610 3.035 4.041 0.051 20 0 "[ . 1 . 2]" 1
649 1 40 HIS HA 1 69 ALA MB . . 4.320 3.547 2.670 4.411 0.091 3 0 "[ . 1 . 2]" 1
650 1 40 HIS HB3 1 41 GLY H . . 4.250 3.813 3.148 4.325 0.075 14 0 "[ . 1 . 2]" 1
651 1 40 HIS HB3 1 42 GLY H . . 5.130 5.034 4.375 5.530 0.400 17 0 "[ . 1 . 2]" 1
652 1 40 HIS HB3 1 66 ALA HA . . 4.720 3.980 2.945 4.811 0.091 19 0 "[ . 1 . 2]" 1
653 1 40 HIS HB3 1 69 ALA MB . . 3.800 2.265 2.028 2.651 . 0 0 "[ . 1 . 2]" 1
654 1 40 HIS HD2 1 41 GLY H . . 5.500 4.915 4.020 5.517 0.017 4 0 "[ . 1 . 2]" 1
655 1 40 HIS HD2 1 69 ALA MB . . 5.500 4.290 3.200 5.104 . 0 0 "[ . 1 . 2]" 1
656 1 40 HIS HD2 1 70 ALA HA . . 4.070 2.928 2.281 4.129 0.059 6 0 "[ . 1 . 2]" 1
657 1 41 GLY H 1 42 GLY H . . 3.380 1.994 1.740 2.420 . 0 0 "[ . 1 . 2]" 1
658 1 41 GLY H 1 66 ALA MB . . 4.980 3.970 3.368 4.600 . 0 0 "[ . 1 . 2]" 1
659 1 41 GLY HA2 1 66 ALA MB . . 3.980 3.800 3.475 4.297 0.317 8 0 "[ . 1 . 2]" 1
660 1 41 GLY HA3 1 66 ALA MB . . 4.200 2.426 2.152 2.803 . 0 0 "[ . 1 . 2]" 1
661 1 42 GLY H 1 43 VAL H . . 4.360 4.352 4.128 4.442 0.082 18 0 "[ . 1 . 2]" 1
662 1 42 GLY H 1 43 VAL HB . . 5.500 4.852 4.483 5.181 . 0 0 "[ . 1 . 2]" 1
663 1 42 GLY H 1 66 ALA MB . . 4.770 3.458 2.539 4.149 . 0 0 "[ . 1 . 2]" 1
664 1 42 GLY HA2 1 43 VAL H . . 3.390 2.433 2.196 2.547 . 0 0 "[ . 1 . 2]" 1
665 1 42 GLY HA2 1 43 VAL QG . . 4.470 3.186 2.734 3.795 . 0 0 "[ . 1 . 2]" 1
666 1 42 GLY HA2 1 107 LEU QD . . 4.000 3.130 2.365 3.546 . 0 0 "[ . 1 . 2]" 1
667 1 42 GLY HA3 1 43 VAL H . . 3.210 2.639 2.232 2.998 . 0 0 "[ . 1 . 2]" 1
668 1 42 GLY HA3 1 107 LEU QD . . 3.990 2.204 1.924 2.555 . 0 0 "[ . 1 . 2]" 1
669 1 43 VAL H 1 43 VAL HB . . 4.040 3.159 2.450 3.462 . 0 0 "[ . 1 . 2]" 1
670 1 43 VAL H 1 43 VAL QG . . 3.330 2.251 2.020 2.949 . 0 0 "[ . 1 . 2]" 1
671 1 43 VAL H 1 44 ILE HA . . 5.500 4.741 4.286 5.077 . 0 0 "[ . 1 . 2]" 1
672 1 43 VAL H 1 44 ILE MG . . 5.410 4.131 3.634 4.628 . 0 0 "[ . 1 . 2]" 1
673 1 43 VAL H 1 45 HIS H . . 5.500 5.479 5.013 5.571 0.071 4 0 "[ . 1 . 2]" 1
674 1 43 VAL H 1 62 PRO HD3 . . 5.500 4.055 2.769 4.799 . 0 0 "[ . 1 . 2]" 1
675 1 43 VAL H 1 107 LEU HA . . 4.980 4.035 3.428 4.497 . 0 0 "[ . 1 . 2]" 1
676 1 43 VAL H 1 107 LEU HB3 . . 4.830 3.860 3.552 4.062 . 0 0 "[ . 1 . 2]" 1
677 1 43 VAL H 1 107 LEU QD . . 3.420 2.314 1.938 3.058 . 0 0 "[ . 1 . 2]" 1
678 1 43 VAL H 1 108 LEU H . . 4.480 3.483 2.741 3.955 . 0 0 "[ . 1 . 2]" 1
679 1 43 VAL HA 1 44 ILE H . . 3.240 2.294 2.189 2.446 . 0 0 "[ . 1 . 2]" 1
680 1 43 VAL HA 1 44 ILE HG13 . . 4.890 4.935 4.599 5.282 0.392 17 0 "[ . 1 . 2]" 1
681 1 43 VAL HA 1 44 ILE MG . . 4.280 3.690 3.482 4.270 . 0 0 "[ . 1 . 2]" 1
682 1 43 VAL HA 1 45 HIS H . . 4.280 3.888 3.322 4.311 0.031 16 0 "[ . 1 . 2]" 1
683 1 43 VAL HA 1 61 CYS HA . . 3.410 2.085 1.805 2.381 . 0 0 "[ . 1 . 2]" 1
684 1 43 VAL HA 1 62 PRO HD3 . . 5.020 2.826 2.449 3.606 . 0 0 "[ . 1 . 2]" 1
685 1 43 VAL HB 1 44 ILE H . . 4.670 4.133 3.940 4.448 . 0 0 "[ . 1 . 2]" 1
686 1 43 VAL HB 1 45 HIS H . . 5.490 4.728 4.491 4.936 . 0 0 "[ . 1 . 2]" 1
687 1 43 VAL HB 1 59 VAL QG . . 4.240 3.470 2.909 4.224 . 0 0 "[ . 1 . 2]" 1
688 1 43 VAL HB 1 61 CYS HA . . 4.140 4.078 3.614 4.265 0.125 20 0 "[ . 1 . 2]" 1
689 1 43 VAL QG 1 44 ILE H . . 3.870 2.503 2.228 3.200 . 0 0 "[ . 1 . 2]" 1
690 1 43 VAL QG 1 44 ILE HA . . 5.500 3.668 3.487 3.838 . 0 0 "[ . 1 . 2]" 1
691 1 43 VAL QG 1 45 HIS H . . 3.430 1.997 1.757 2.268 . 0 0 "[ . 1 . 2]" 1
692 1 43 VAL QG 1 46 ILE H . . 5.500 4.486 4.048 4.779 . 0 0 "[ . 1 . 2]" 1
693 1 43 VAL QG 1 46 ILE HA . . 5.050 4.066 3.777 4.386 . 0 0 "[ . 1 . 2]" 1
694 1 43 VAL QG 1 46 ILE HB . . 4.000 3.067 2.848 3.458 . 0 0 "[ . 1 . 2]" 1
695 1 43 VAL QG 1 59 VAL HB . . 4.940 4.242 3.854 4.516 . 0 0 "[ . 1 . 2]" 1
696 1 43 VAL QG 1 59 VAL QG . . 2.990 1.927 1.839 2.105 . 0 0 "[ . 1 . 2]" 1
697 1 43 VAL QG 1 60 LYS H . . 4.620 2.808 2.497 3.137 . 0 0 "[ . 1 . 2]" 1
698 1 43 VAL QG 1 61 CYS HA . . 4.170 3.138 2.621 3.789 . 0 0 "[ . 1 . 2]" 1
699 1 43 VAL QG 1 108 LEU H . . 4.030 3.132 2.563 3.660 . 0 0 "[ . 1 . 2]" 1
700 1 44 ILE H 1 44 ILE MD . . 4.090 3.883 3.736 3.964 . 0 0 "[ . 1 . 2]" 1
701 1 44 ILE H 1 44 ILE HG13 . . 3.730 2.816 2.651 3.099 . 0 0 "[ . 1 . 2]" 1
702 1 44 ILE H 1 44 ILE MG . . 3.780 2.991 2.839 3.189 . 0 0 "[ . 1 . 2]" 1
703 1 44 ILE H 1 45 HIS H . . 3.100 2.214 2.047 2.353 . 0 0 "[ . 1 . 2]" 1
704 1 44 ILE H 1 45 HIS HB3 . . 5.500 4.824 4.076 5.157 . 0 0 "[ . 1 . 2]" 1
705 1 44 ILE H 1 61 CYS HA . . 3.920 2.590 2.331 2.745 . 0 0 "[ . 1 . 2]" 1
706 1 44 ILE H 1 62 PRO HA . . 5.500 5.307 4.798 5.562 0.062 1 0 "[ . 1 . 2]" 1
707 1 44 ILE H 1 62 PRO HD3 . . 4.830 3.286 3.026 3.496 . 0 0 "[ . 1 . 2]" 1
708 1 44 ILE HA 1 44 ILE MD . . 4.460 4.222 4.177 4.279 . 0 0 "[ . 1 . 2]" 1
709 1 44 ILE HA 1 44 ILE MG . . 3.090 2.300 2.199 2.396 . 0 0 "[ . 1 . 2]" 1
710 1 44 ILE HA 1 107 LEU H . . 5.500 5.047 4.571 5.388 . 0 0 "[ . 1 . 2]" 1
711 1 44 ILE HA 1 107 LEU HA . . 4.150 2.717 2.366 3.263 . 0 0 "[ . 1 . 2]" 1
712 1 44 ILE HA 1 107 LEU QD . . 4.470 3.564 3.161 4.309 . 0 0 "[ . 1 . 2]" 1
713 1 44 ILE HA 1 108 LEU H . . 3.790 3.003 2.341 3.783 . 0 0 "[ . 1 . 2]" 1
714 1 44 ILE HA 1 108 LEU MD1 . . 4.260 3.811 3.119 4.346 0.086 1 0 "[ . 1 . 2]" 1
715 1 44 ILE HA 1 108 LEU MD2 . . 3.990 3.751 1.760 4.079 0.089 11 0 "[ . 1 . 2]" 1
716 1 44 ILE HA 1 108 LEU HG . . 3.450 2.676 2.187 3.539 0.089 4 0 "[ . 1 . 2]" 1
717 1 44 ILE HB 1 44 ILE MD . . 3.280 2.421 2.315 2.548 . 0 0 "[ . 1 . 2]" 1
718 1 44 ILE HB 1 45 HIS H . . 4.660 4.398 4.228 4.510 . 0 0 "[ . 1 . 2]" 1
719 1 44 ILE HB 1 104 ALA MB . . 3.710 2.568 2.113 3.543 . 0 0 "[ . 1 . 2]" 1
720 1 44 ILE HB 1 106 GLN H . . 5.070 3.844 3.221 4.934 . 0 0 "[ . 1 . 2]" 1
721 1 44 ILE MD 1 61 CYS H . . 5.500 4.577 4.046 5.213 . 0 0 "[ . 1 . 2]" 1
722 1 44 ILE MD 1 62 PRO HA . . 3.350 2.216 2.047 2.598 . 0 0 "[ . 1 . 2]" 1
723 1 44 ILE MD 1 62 PRO HD3 . . 5.300 3.768 3.153 4.358 . 0 0 "[ . 1 . 2]" 1
724 1 44 ILE MD 1 104 ALA H . . 5.270 3.857 3.224 4.744 . 0 0 "[ . 1 . 2]" 1
725 1 44 ILE MD 1 104 ALA MB . . 3.520 2.423 2.060 3.334 . 0 0 "[ . 1 . 2]" 1
726 1 44 ILE MD 1 106 GLN H . . 5.500 4.654 4.055 5.521 0.021 14 0 "[ . 1 . 2]" 1
727 1 44 ILE HG13 1 45 HIS H . . 4.270 3.489 3.014 3.763 . 0 0 "[ . 1 . 2]" 1
728 1 44 ILE HG13 1 45 HIS HB3 . . 5.500 4.139 3.656 4.473 . 0 0 "[ . 1 . 2]" 1
729 1 44 ILE HG13 1 61 CYS HA . . 4.590 4.231 3.753 4.725 0.135 20 0 "[ . 1 . 2]" 1
730 1 44 ILE HG13 1 62 PRO HA . . 4.880 4.542 4.191 4.925 0.045 19 0 "[ . 1 . 2]" 1
731 1 44 ILE HG13 1 62 PRO HD3 . . 5.500 4.619 4.195 5.298 . 0 0 "[ . 1 . 2]" 1
732 1 44 ILE MG 1 45 HIS H . . 4.650 4.404 4.319 4.530 . 0 0 "[ . 1 . 2]" 1
733 1 44 ILE MG 1 61 CYS HA . . 4.240 3.762 3.490 4.007 . 0 0 "[ . 1 . 2]" 1
734 1 44 ILE MG 1 62 PRO HD3 . . 4.400 2.161 2.023 2.326 . 0 0 "[ . 1 . 2]" 1
735 1 44 ILE MG 1 62 PRO HG3 . . 4.520 3.057 2.590 3.629 . 0 0 "[ . 1 . 2]" 1
736 1 44 ILE MG 1 105 THR HA . . 3.970 3.614 2.582 4.065 0.095 11 0 "[ . 1 . 2]" 1
737 1 44 ILE MG 1 106 GLN H . . 4.810 3.636 2.847 4.321 . 0 0 "[ . 1 . 2]" 1
738 1 44 ILE MG 1 107 LEU H . . 5.050 3.621 3.205 4.059 . 0 0 "[ . 1 . 2]" 1
739 1 44 ILE MG 1 107 LEU HA . . 3.150 2.188 2.001 2.551 . 0 0 "[ . 1 . 2]" 1
740 1 44 ILE MG 1 107 LEU QD . . 3.440 2.085 1.884 2.451 . 0 0 "[ . 1 . 2]" 1
741 1 44 ILE MG 1 108 LEU H . . 4.050 3.747 3.253 4.151 0.101 20 0 "[ . 1 . 2]" 1
742 1 45 HIS H 1 45 HIS HB3 . . 4.130 3.427 2.845 3.798 . 0 0 "[ . 1 . 2]" 1
743 1 45 HIS H 1 46 ILE H . . 5.390 4.178 3.660 4.380 . 0 0 "[ . 1 . 2]" 1
744 1 45 HIS H 1 59 VAL HA . . 5.440 4.850 4.369 5.122 . 0 0 "[ . 1 . 2]" 1
745 1 45 HIS H 1 59 VAL QG . . 4.800 3.888 3.486 4.406 . 0 0 "[ . 1 . 2]" 1
746 1 45 HIS H 1 60 LYS H . . 3.970 3.283 2.840 3.580 . 0 0 "[ . 1 . 2]" 1
747 1 45 HIS H 1 61 CYS HA . . 4.910 4.481 4.122 4.842 . 0 0 "[ . 1 . 2]" 1
748 1 45 HIS H 1 62 PRO HD3 . . 5.500 5.469 5.273 5.584 0.084 20 0 "[ . 1 . 2]" 1
749 1 45 HIS H 1 108 LEU MD1 . . 4.100 3.074 2.245 4.656 0.556 4 1 "[ +. 1 . 2]" 1
750 1 45 HIS HA 1 45 HIS HD2 . . 4.290 3.275 2.545 3.715 . 0 0 "[ . 1 . 2]" 1
751 1 45 HIS HA 1 46 ILE H . . 2.900 2.230 2.061 2.329 . 0 0 "[ . 1 . 2]" 1
752 1 45 HIS HA 1 60 LYS H . . 5.500 4.715 4.491 5.020 . 0 0 "[ . 1 . 2]" 1
753 1 45 HIS HA 1 108 LEU MD1 . . 3.490 2.653 2.054 3.794 0.304 4 0 "[ . 1 . 2]" 1
754 1 45 HIS HB3 1 46 ILE H . . 4.870 3.564 3.147 4.020 . 0 0 "[ . 1 . 2]" 1
755 1 45 HIS HB3 1 59 VAL QG . . 5.500 4.479 3.937 5.220 . 0 0 "[ . 1 . 2]" 1
756 1 45 HIS HB3 1 60 LYS H . . 4.410 2.887 2.192 3.624 . 0 0 "[ . 1 . 2]" 1
757 1 45 HIS HB3 1 60 LYS HA . . 5.260 4.644 4.041 5.086 . 0 0 "[ . 1 . 2]" 1
758 1 45 HIS HB3 1 60 LYS HB3 . . 4.290 2.303 2.024 2.793 . 0 0 "[ . 1 . 2]" 1
759 1 45 HIS HB3 1 101 SER HB3 . . 5.140 4.566 3.488 5.254 0.114 17 0 "[ . 1 . 2]" 1
760 1 45 HIS HD2 1 46 ILE H . . 5.310 4.842 3.008 5.397 0.087 18 0 "[ . 1 . 2]" 1
761 1 45 HIS HD2 1 101 SER H . . 5.500 5.396 4.939 5.582 0.082 1 0 "[ . 1 . 2]" 1
762 1 45 HIS HD2 1 101 SER HA . . 4.330 3.258 2.726 4.396 0.066 3 0 "[ . 1 . 2]" 1
763 1 45 HIS HD2 1 101 SER HB3 . . 5.050 3.579 2.538 5.147 0.097 17 0 "[ . 1 . 2]" 1
764 1 45 HIS HD2 1 104 ALA MB . . 4.940 2.804 1.964 4.688 . 0 0 "[ . 1 . 2]" 1
765 1 45 HIS HE1 1 101 SER HB3 . . 5.290 4.063 2.964 5.470 0.180 17 0 "[ . 1 . 2]" 1
766 1 46 ILE H 1 46 ILE HB . . 3.860 3.343 3.183 3.500 . 0 0 "[ . 1 . 2]" 1
767 1 46 ILE H 1 46 ILE MG . . 3.440 2.443 2.238 2.616 . 0 0 "[ . 1 . 2]" 1
768 1 46 ILE H 1 47 TYR H . . 4.850 4.290 4.125 4.506 . 0 0 "[ . 1 . 2]" 1
769 1 46 ILE H 1 60 LYS H . . 5.500 4.943 4.687 5.144 . 0 0 "[ . 1 . 2]" 1
770 1 46 ILE H 1 108 LEU MD1 . . 3.780 3.071 2.612 3.621 . 0 0 "[ . 1 . 2]" 1
771 1 46 ILE H 1 108 LEU MD2 . . 5.080 4.748 3.897 5.175 0.095 1 0 "[ . 1 . 2]" 1
772 1 46 ILE HA 1 46 ILE MD . . 3.770 3.441 3.000 3.758 . 0 0 "[ . 1 . 2]" 1
773 1 46 ILE HA 1 47 TYR H . . 3.060 2.295 2.127 2.410 . 0 0 "[ . 1 . 2]" 1
774 1 46 ILE HA 1 57 VAL QG . . 5.500 4.103 3.564 4.578 . 0 0 "[ . 1 . 2]" 1
775 1 46 ILE HA 1 58 TYR H . . 5.500 4.775 4.555 5.082 . 0 0 "[ . 1 . 2]" 1
776 1 46 ILE HA 1 59 VAL HA . . 3.390 2.367 2.005 2.698 . 0 0 "[ . 1 . 2]" 1
777 1 46 ILE HA 1 59 VAL QG . . 4.590 2.956 2.368 3.495 . 0 0 "[ . 1 . 2]" 1
778 1 46 ILE HA 1 60 LYS H . . 4.270 3.825 3.505 4.325 0.055 2 0 "[ . 1 . 2]" 1
779 1 46 ILE HB 1 46 ILE MD . . 3.200 2.661 2.178 3.279 0.079 3 0 "[ . 1 . 2]" 1
780 1 46 ILE HB 1 47 TYR H . . 4.460 4.105 3.954 4.341 . 0 0 "[ . 1 . 2]" 1
781 1 46 ILE HB 1 59 VAL HA . . 4.170 3.966 3.571 4.235 0.065 20 0 "[ . 1 . 2]" 1
782 1 46 ILE HB 1 59 VAL QG . . 4.320 3.065 2.512 3.499 . 0 0 "[ . 1 . 2]" 1
783 1 46 ILE MG 1 47 TYR H . . 3.910 3.811 3.530 3.997 0.087 4 0 "[ . 1 . 2]" 1
784 1 46 ILE MG 1 48 VAL H . . 4.680 4.386 3.909 4.760 0.080 7 0 "[ . 1 . 2]" 1
785 1 47 TYR H 1 47 TYR QD . . 5.170 4.375 4.280 4.483 . 0 0 "[ . 1 . 2]" 1
786 1 47 TYR H 1 48 VAL H . . 4.810 3.750 3.305 4.014 . 0 0 "[ . 1 . 2]" 1
787 1 47 TYR H 1 48 VAL QG . . 5.500 4.215 3.872 4.554 . 0 0 "[ . 1 . 2]" 1
788 1 47 TYR H 1 57 VAL HA . . 5.500 4.974 4.609 5.329 . 0 0 "[ . 1 . 2]" 1
789 1 47 TYR H 1 57 VAL QG . . 4.370 2.985 2.366 3.391 . 0 0 "[ . 1 . 2]" 1
790 1 47 TYR H 1 58 TYR H . . 4.000 2.998 2.793 3.290 . 0 0 "[ . 1 . 2]" 1
791 1 47 TYR H 1 58 TYR HB3 . . 4.360 4.214 3.654 4.964 0.604 16 2 "[- . 1 .+ 2]" 1
792 1 47 TYR H 1 58 TYR QD . . 5.500 5.041 4.460 5.479 . 0 0 "[ . 1 . 2]" 1
793 1 47 TYR H 1 59 VAL HA . . 4.510 3.791 3.538 4.053 . 0 0 "[ . 1 . 2]" 1
794 1 47 TYR H 1 59 VAL QG . . 5.260 3.813 3.229 4.462 . 0 0 "[ . 1 . 2]" 1
795 1 47 TYR HA 1 47 TYR QD . . 3.710 2.506 2.272 2.701 . 0 0 "[ . 1 . 2]" 1
796 1 47 TYR HA 1 48 VAL H . . 2.930 2.162 2.014 2.265 . 0 0 "[ . 1 . 2]" 1
797 1 47 TYR HA 1 48 VAL HB . . 4.730 4.723 4.451 4.817 0.087 19 0 "[ . 1 . 2]" 1
798 1 47 TYR HA 1 48 VAL QG . . 4.470 3.638 3.359 4.003 . 0 0 "[ . 1 . 2]" 1
799 1 47 TYR HA 1 58 TYR HB3 . . 5.500 5.929 5.543 6.787 1.287 16 7 "[* * - 1 **+ * 2]" 1
800 1 47 TYR QD 1 48 VAL H . . 4.550 3.125 2.474 3.640 . 0 0 "[ . 1 . 2]" 1
801 1 47 TYR QD 1 48 VAL QG . . 5.500 4.314 3.779 4.707 . 0 0 "[ . 1 . 2]" 1
802 1 47 TYR QD 1 58 TYR H . . 5.500 4.209 3.810 4.769 . 0 0 "[ . 1 . 2]" 1
803 1 47 TYR QD 1 58 TYR QD . . 3.480 2.895 2.378 3.566 0.086 19 0 "[ . 1 . 2]" 1
804 1 47 TYR QE 1 48 VAL H . . 5.500 4.798 4.130 5.393 . 0 0 "[ . 1 . 2]" 1
805 1 47 TYR QE 1 49 ASP HA . . 3.080 2.913 2.463 3.142 0.062 6 0 "[ . 1 . 2]" 1
806 1 47 TYR QE 1 49 ASP HB3 . . 3.780 4.262 4.123 4.558 0.778 19 6 "[ ** 1 * *. -+2]" 1
807 1 47 TYR QE 1 50 LYS H . . 4.600 4.399 3.570 4.637 0.037 6 0 "[ . 1 . 2]" 1
808 1 48 VAL H 1 48 VAL HB . . 3.250 2.728 2.311 3.206 . 0 0 "[ . 1 . 2]" 1
809 1 48 VAL H 1 48 VAL QG . . 3.360 2.125 1.799 2.568 . 0 0 "[ . 1 . 2]" 1
810 1 48 VAL H 1 57 VAL QG . . 4.230 3.558 3.053 4.048 . 0 0 "[ . 1 . 2]" 1
811 1 48 VAL H 1 58 TYR H . . 5.240 4.772 4.065 5.073 . 0 0 "[ . 1 . 2]" 1
812 1 48 VAL HA 1 49 ASP H . . 3.070 2.201 2.049 2.457 . 0 0 "[ . 1 . 2]" 1
813 1 48 VAL HA 1 57 VAL HA . . 3.490 2.637 2.179 3.296 . 0 0 "[ . 1 . 2]" 1
814 1 48 VAL HA 1 57 VAL QG . . 3.800 2.163 1.975 2.487 . 0 0 "[ . 1 . 2]" 1
815 1 48 VAL HA 1 58 TYR H . . 4.360 3.520 3.280 3.746 . 0 0 "[ . 1 . 2]" 1
816 1 48 VAL HA 1 58 TYR QD . . 4.750 4.713 3.811 4.854 0.104 11 0 "[ . 1 . 2]" 1
817 1 48 VAL HB 1 49 ASP H . . 5.160 4.295 3.962 4.490 . 0 0 "[ . 1 . 2]" 1
818 1 48 VAL QG 1 49 ASP H . . 3.530 3.035 2.544 3.330 . 0 0 "[ . 1 . 2]" 1
819 1 48 VAL QG 1 50 LYS H . . 4.670 4.117 3.257 4.692 0.022 14 0 "[ . 1 . 2]" 1
820 1 48 VAL QG 1 50 LYS HA . . 4.150 3.787 3.448 4.175 0.025 9 0 "[ . 1 . 2]" 1
821 1 48 VAL QG 1 57 VAL HA . . 4.170 3.791 3.368 4.121 . 0 0 "[ . 1 . 2]" 1
822 1 48 VAL QG 1 57 VAL QG . . 3.870 2.155 1.812 2.888 . 0 0 "[ . 1 . 2]" 1
823 1 48 VAL QG 1 58 TYR H . . 5.370 4.494 3.976 4.837 . 0 0 "[ . 1 . 2]" 1
824 1 49 ASP H 1 49 ASP HB3 . . 3.700 2.522 2.203 2.749 . 0 0 "[ . 1 . 2]" 1
825 1 49 ASP H 1 57 VAL HA . . 3.570 2.844 2.387 3.387 . 0 0 "[ . 1 . 2]" 1
826 1 49 ASP H 1 58 TYR H . . 4.970 4.306 3.766 4.747 . 0 0 "[ . 1 . 2]" 1
827 1 49 ASP H 1 58 TYR QD . . 5.100 4.005 3.170 4.855 . 0 0 "[ . 1 . 2]" 1
828 1 49 ASP HA 1 50 LYS H . . 3.010 2.130 1.875 2.354 . 0 0 "[ . 1 . 2]" 1
829 1 49 ASP HA 1 50 LYS HA . . 4.310 4.372 4.316 4.396 0.086 12 0 "[ . 1 . 2]" 1
830 1 49 ASP HA 1 51 ASN H . . 3.940 3.688 3.142 4.020 0.080 1 0 "[ . 1 . 2]" 1
831 1 49 ASP HB3 1 50 LYS H . . 5.210 4.113 3.453 4.515 . 0 0 "[ . 1 . 2]" 1
832 1 49 ASP HB3 1 52 SER HB3 . . 4.880 3.672 2.454 4.919 0.039 13 0 "[ . 1 . 2]" 1
833 1 50 LYS H 1 50 LYS HE3 . . 5.150 2.788 1.865 4.211 . 0 0 "[ . 1 . 2]" 1
834 1 50 LYS H 1 50 LYS HG3 . . 4.110 3.102 2.043 3.745 . 0 0 "[ . 1 . 2]" 1
835 1 50 LYS H 1 51 ASN H . . 3.560 2.518 1.793 3.193 . 0 0 "[ . 1 . 2]" 1
836 1 50 LYS H 1 51 ASN HD21 . . 5.500 4.178 2.686 6.390 0.890 6 1 "[ .+ 1 . 2]" 1
837 1 50 LYS H 1 52 SER H . . 4.590 4.382 4.083 4.627 0.037 16 0 "[ . 1 . 2]" 1
838 1 50 LYS HA 1 50 LYS HE3 . . 5.500 4.768 3.916 5.585 0.085 17 0 "[ . 1 . 2]" 1
839 1 50 LYS HA 1 50 LYS HG3 . . 3.850 3.295 2.392 4.268 0.418 14 0 "[ . 1 . 2]" 1
840 1 50 LYS HA 1 52 SER H . . 4.830 3.777 3.428 4.069 . 0 0 "[ . 1 . 2]" 1
841 1 50 LYS HG3 1 51 ASN H . . 5.190 4.051 2.378 4.977 . 0 0 "[ . 1 . 2]" 1
842 1 51 ASN H 1 51 ASN HB3 . . 3.390 3.436 2.506 3.686 0.296 1 0 "[ . 1 . 2]" 1
843 1 51 ASN H 1 51 ASN HD21 . . 5.500 2.716 1.946 3.828 . 0 0 "[ . 1 . 2]" 1
844 1 51 ASN H 1 51 ASN HD22 . . 4.870 3.904 2.972 4.941 0.071 18 0 "[ . 1 . 2]" 1
845 1 51 ASN H 1 52 SER H . . 3.180 2.768 2.319 3.238 0.058 11 0 "[ . 1 . 2]" 1
846 1 51 ASN H 1 52 SER HA . . 5.500 4.858 4.511 5.237 . 0 0 "[ . 1 . 2]" 1
847 1 51 ASN H 1 52 SER HB3 . . 4.980 4.731 3.724 5.835 0.855 17 2 "[ . 1 .-+ 2]" 1
848 1 51 ASN HA 1 51 ASN HD22 . . 4.820 4.144 3.323 4.960 0.140 6 0 "[ . 1 . 2]" 1
849 1 51 ASN HB3 1 51 ASN HD22 . . 3.670 4.035 3.523 4.115 0.445 7 0 "[ . 1 . 2]" 1
850 1 51 ASN HB3 1 52 SER H . . 4.250 4.231 3.623 4.502 0.252 13 0 "[ . 1 . 2]" 1
851 1 51 ASN HD21 1 52 SER H . . 4.990 4.653 3.576 5.076 0.086 9 0 "[ . 1 . 2]" 1
852 1 52 SER H 1 52 SER HB3 . . 3.230 2.519 1.879 3.510 0.280 17 0 "[ . 1 . 2]" 1
853 1 52 SER H 1 53 ALA H . . 4.650 4.502 3.147 4.699 0.049 9 0 "[ . 1 . 2]" 1
854 1 52 SER HA 1 53 ALA H . . 3.070 2.426 2.079 3.145 0.075 17 0 "[ . 1 . 2]" 1
855 1 52 SER HA 1 53 ALA MB . . 4.360 3.953 3.704 4.182 . 0 0 "[ . 1 . 2]" 1
856 1 52 SER HA 1 54 GLN H . . 4.280 4.167 3.559 4.358 0.078 20 0 "[ . 1 . 2]" 1
857 1 52 SER HA 1 55 GLY H . . 5.500 5.312 4.385 5.582 0.082 17 0 "[ . 1 . 2]" 1
858 1 52 SER HB3 1 53 ALA H . . 3.950 3.712 3.155 4.326 0.376 3 0 "[ . 1 . 2]" 1
859 1 52 SER HB3 1 56 ASN H . . 4.000 2.790 2.212 3.682 . 0 0 "[ . 1 . 2]" 1
860 1 52 SER HB3 1 56 ASN HB3 . . 4.830 4.948 3.688 6.024 1.194 11 9 "[* - .* *+ * .* **2]" 1
861 1 53 ALA H 1 53 ALA MB . . 3.300 2.411 2.263 2.853 . 0 0 "[ . 1 . 2]" 1
862 1 53 ALA H 1 54 GLN H . . 3.610 2.177 1.778 3.555 . 0 0 "[ . 1 . 2]" 1
863 1 53 ALA H 1 55 GLY H . . 5.430 4.070 3.532 4.573 . 0 0 "[ . 1 . 2]" 1
864 1 53 ALA H 1 55 GLY HA2 . . 5.500 5.560 5.317 5.587 0.087 2 0 "[ . 1 . 2]" 1
865 1 53 ALA H 1 56 ASN H . . 5.500 4.209 3.888 4.817 . 0 0 "[ . 1 . 2]" 1
866 1 53 ALA HA 1 55 GLY H . . 4.610 4.365 3.962 4.674 0.064 15 0 "[ . 1 . 2]" 1
867 1 53 ALA MB 1 54 GLN H . . 3.830 2.813 2.452 3.229 . 0 0 "[ . 1 . 2]" 1
868 1 53 ALA MB 1 54 GLN HA . . 4.860 4.202 4.001 4.412 . 0 0 "[ . 1 . 2]" 1
869 1 53 ALA MB 1 54 GLN HE21 . . 5.440 3.876 3.153 4.355 . 0 0 "[ . 1 . 2]" 1
870 1 53 ALA MB 1 54 GLN HE22 . . 5.200 5.186 4.489 5.518 0.318 11 0 "[ . 1 . 2]" 1
871 1 53 ALA MB 1 54 GLN HG3 . . 5.120 3.024 2.427 4.412 . 0 0 "[ . 1 . 2]" 1
872 1 53 ALA MB 1 55 GLY H . . 5.500 4.731 4.433 5.044 . 0 0 "[ . 1 . 2]" 1
873 1 54 GLN H 1 54 GLN HB3 . . 3.290 3.715 3.168 3.926 0.636 20 8 "[ ***-* 1 ** . +]" 1
874 1 54 GLN H 1 54 GLN HG3 . . 3.920 3.076 2.097 4.098 0.178 17 0 "[ . 1 . 2]" 1
875 1 54 GLN H 1 55 GLY H . . 3.460 2.770 2.203 3.194 . 0 0 "[ . 1 . 2]" 1
876 1 54 GLN H 1 55 GLY HA3 . . 5.500 5.032 4.797 5.246 . 0 0 "[ . 1 . 2]" 1
877 1 54 GLN H 1 56 ASN QD . . 5.310 3.492 2.357 4.196 . 0 0 "[ . 1 . 2]" 1
878 1 54 GLN HA 1 54 GLN HE21 . . 5.500 4.964 3.391 5.571 0.071 10 0 "[ . 1 . 2]" 1
879 1 54 GLN HA 1 54 GLN HG3 . . 3.530 3.234 2.950 3.622 0.092 15 0 "[ . 1 . 2]" 1
880 1 54 GLN HA 1 56 ASN QD . . 5.100 4.449 4.057 4.750 . 0 0 "[ . 1 . 2]" 1
881 1 54 GLN HB3 1 54 GLN HE22 . . 5.170 4.559 3.992 4.775 . 0 0 "[ . 1 . 2]" 1
882 1 54 GLN HB3 1 56 ASN QD . . 4.320 3.340 2.655 4.123 . 0 0 "[ . 1 . 2]" 1
883 1 54 GLN HG3 1 56 ASN QD . . 5.500 3.822 1.930 4.847 . 0 0 "[ . 1 . 2]" 1
884 1 55 GLY H 1 56 ASN H . . 3.640 3.013 2.264 3.284 . 0 0 "[ . 1 . 2]" 1
885 1 56 ASN H 1 56 ASN HB3 . . 3.610 3.624 3.462 3.680 0.070 8 0 "[ . 1 . 2]" 1
886 1 56 ASN H 1 57 VAL H . . 5.030 4.631 4.514 4.736 . 0 0 "[ . 1 . 2]" 1
887 1 56 ASN HA 1 56 ASN QD . . 4.270 2.395 2.033 2.971 . 0 0 "[ . 1 . 2]" 1
888 1 56 ASN HA 1 57 VAL H . . 3.020 2.308 2.142 2.381 . 0 0 "[ . 1 . 2]" 1
889 1 56 ASN HA 1 57 VAL HA . . 4.620 4.502 4.397 4.592 . 0 0 "[ . 1 . 2]" 1
890 1 56 ASN HA 1 57 VAL QG . . 4.790 3.565 3.239 3.804 . 0 0 "[ . 1 . 2]" 1
891 1 56 ASN HB3 1 57 VAL H . . 4.420 2.847 2.413 3.284 . 0 0 "[ . 1 . 2]" 1
892 1 56 ASN HB3 1 58 TYR QE . . 4.690 4.284 2.552 4.766 0.076 12 0 "[ . 1 . 2]" 1
893 1 56 ASN QD 1 57 VAL H . . 5.250 4.052 3.714 4.735 . 0 0 "[ . 1 . 2]" 1
894 1 57 VAL H 1 58 TYR H . . 5.130 4.366 4.167 4.503 . 0 0 "[ . 1 . 2]" 1
895 1 57 VAL HA 1 58 TYR H . . 3.250 2.396 2.116 2.564 . 0 0 "[ . 1 . 2]" 1
896 1 57 VAL HB 1 58 TYR H . . 4.940 3.810 2.684 4.182 . 0 0 "[ . 1 . 2]" 1
897 1 57 VAL HB 1 59 VAL QG . . 5.100 4.292 3.462 5.036 . 0 0 "[ . 1 . 2]" 1
898 1 57 VAL QG 1 58 TYR H . . 3.570 2.208 1.896 2.673 . 0 0 "[ . 1 . 2]" 1
899 1 57 VAL QG 1 58 TYR HB3 . . 5.240 4.794 4.557 5.091 . 0 0 "[ . 1 . 2]" 1
900 1 57 VAL QG 1 58 TYR QD . . 5.050 4.204 3.779 4.461 . 0 0 "[ . 1 . 2]" 1
901 1 57 VAL QG 1 59 VAL H . . 5.350 4.297 3.983 4.734 . 0 0 "[ . 1 . 2]" 1
902 1 57 VAL QG 1 59 VAL QG . . 3.500 2.577 1.948 3.423 . 0 0 "[ . 1 . 2]" 1
903 1 58 TYR H 1 58 TYR HB3 . . 3.880 3.548 3.419 3.838 . 0 0 "[ . 1 . 2]" 1
904 1 58 TYR H 1 58 TYR QD . . 3.950 3.010 2.383 3.501 . 0 0 "[ . 1 . 2]" 1
905 1 58 TYR H 1 59 VAL H . . 5.230 4.398 4.253 4.610 . 0 0 "[ . 1 . 2]" 1
906 1 58 TYR H 1 59 VAL QG . . 5.500 3.940 3.195 4.573 . 0 0 "[ . 1 . 2]" 1
907 1 58 TYR HA 1 58 TYR QD . . 4.300 2.984 2.636 3.219 . 0 0 "[ . 1 . 2]" 1
908 1 58 TYR HA 1 59 VAL H . . 3.090 2.283 2.213 2.375 . 0 0 "[ . 1 . 2]" 1
909 1 58 TYR HA 1 59 VAL HB . . 4.800 4.498 4.040 4.838 0.038 6 0 "[ . 1 . 2]" 1
910 1 58 TYR HA 1 59 VAL QG . . 4.690 3.545 3.086 3.896 . 0 0 "[ . 1 . 2]" 1
911 1 58 TYR HB3 1 59 VAL H . . 4.880 3.525 2.963 3.835 . 0 0 "[ . 1 . 2]" 1
912 1 58 TYR HB3 1 98 PHE QE . . 4.990 3.812 2.950 4.353 . 0 0 "[ . 1 . 2]" 1
913 1 58 TYR HB3 1 98 PHE HZ . . 5.200 3.822 2.325 5.081 . 0 0 "[ . 1 . 2]" 1
914 1 58 TYR QD 1 59 VAL H . . 5.180 4.168 3.573 4.673 . 0 0 "[ . 1 . 2]" 1
915 1 59 VAL H 1 59 VAL HB . . 3.620 2.836 2.553 3.278 . 0 0 "[ . 1 . 2]" 1
916 1 59 VAL H 1 59 VAL QG . . 3.700 2.646 2.221 3.043 . 0 0 "[ . 1 . 2]" 1
917 1 59 VAL HA 1 59 VAL QG . . 3.300 2.230 2.133 2.413 . 0 0 "[ . 1 . 2]" 1
918 1 59 VAL HA 1 60 LYS H . . 3.060 2.321 2.153 2.439 . 0 0 "[ . 1 . 2]" 1
919 1 59 VAL HB 1 60 LYS H . . 4.970 4.039 3.758 4.213 . 0 0 "[ . 1 . 2]" 1
920 1 59 VAL QG 1 60 LYS H . . 3.410 2.392 2.186 2.664 . 0 0 "[ . 1 . 2]" 1
921 1 59 VAL QG 1 60 LYS HA . . 4.260 3.498 3.156 3.853 . 0 0 "[ . 1 . 2]" 1
922 1 59 VAL QG 1 60 LYS HB3 . . 5.500 4.579 4.343 4.735 . 0 0 "[ . 1 . 2]" 1
923 1 59 VAL QG 1 61 CYS H . . 4.970 4.197 3.643 4.639 . 0 0 "[ . 1 . 2]" 1
924 1 59 VAL QG 1 61 CYS HB3 . . 5.500 4.995 3.813 5.505 0.005 6 0 "[ . 1 . 2]" 1
925 1 60 LYS H 1 61 CYS H . . 4.850 4.243 4.096 4.474 . 0 0 "[ . 1 . 2]" 1
926 1 60 LYS HA 1 61 CYS H . . 3.160 2.168 2.078 2.359 . 0 0 "[ . 1 . 2]" 1
927 1 60 LYS HB3 1 61 CYS H . . 5.400 4.084 3.538 4.491 . 0 0 "[ . 1 . 2]" 1
928 1 60 LYS HE3 1 61 CYS H . . 4.800 4.716 4.090 5.224 0.424 6 0 "[ . 1 . 2]" 1
929 1 61 CYS H 1 61 CYS HB3 . . 4.130 3.470 2.785 3.689 . 0 0 "[ . 1 . 2]" 1
930 1 61 CYS H 1 63 SER H . . 5.040 4.698 4.523 4.941 . 0 0 "[ . 1 . 2]" 1
931 1 61 CYS H 1 67 ALA MB . . 4.580 3.868 3.480 4.332 . 0 0 "[ . 1 . 2]" 1
932 1 61 CYS HA 1 62 PRO HD3 . . 3.650 2.487 2.330 2.714 . 0 0 "[ . 1 . 2]" 1
933 1 61 CYS HA 1 107 LEU QD . . 4.600 4.450 4.166 4.643 0.043 20 0 "[ . 1 . 2]" 1
934 1 61 CYS HB3 1 62 PRO HD3 . . 3.920 3.672 3.292 4.671 0.751 14 4 "[** . 1 +.- 2]" 1
935 1 61 CYS HB3 1 63 SER H . . 3.810 3.005 2.306 4.108 0.298 16 0 "[ . 1 . 2]" 1
936 1 61 CYS HB3 1 66 ALA H . . 5.490 4.539 3.958 5.522 0.032 14 0 "[ . 1 . 2]" 1
937 1 61 CYS HB3 1 66 ALA HA . . 4.930 5.022 4.646 5.708 0.778 1 4 "[+* . 1 *.- 2]" 1
938 1 61 CYS HB3 1 66 ALA MB . . 3.660 2.293 1.914 3.382 . 0 0 "[ . 1 . 2]" 1
939 1 61 CYS HB3 1 67 ALA H . . 4.670 3.840 3.455 4.345 . 0 0 "[ . 1 . 2]" 1
940 1 61 CYS HB3 1 67 ALA MB . . 4.390 3.850 3.242 4.364 . 0 0 "[ . 1 . 2]" 1
941 1 62 PRO HD3 1 63 SER H . . 4.350 3.957 3.805 4.194 . 0 0 "[ . 1 . 2]" 1
942 1 62 PRO HD3 1 66 ALA MB . . 4.220 4.217 3.945 4.323 0.103 19 0 "[ . 1 . 2]" 1
943 1 62 PRO HG3 1 63 SER H . . 4.650 4.276 3.978 4.539 . 0 0 "[ . 1 . 2]" 1
944 1 62 PRO HG3 1 66 ALA MB . . 4.570 4.388 3.805 4.664 0.094 15 0 "[ . 1 . 2]" 1
945 1 62 PRO HG3 1 107 LEU QD . . 3.870 2.234 2.060 2.516 . 0 0 "[ . 1 . 2]" 1
946 1 63 SER H 1 64 ILE H . . 4.900 4.259 4.014 4.407 . 0 0 "[ . 1 . 2]" 1
947 1 63 SER H 1 64 ILE HA . . 5.500 4.887 4.704 5.037 . 0 0 "[ . 1 . 2]" 1
948 1 63 SER H 1 66 ALA H . . 4.580 3.910 3.632 4.220 . 0 0 "[ . 1 . 2]" 1
949 1 63 SER H 1 66 ALA MB . . 3.430 2.815 2.502 3.141 . 0 0 "[ . 1 . 2]" 1
950 1 63 SER H 1 67 ALA H . . 4.710 4.440 4.035 4.772 0.062 12 0 "[ . 1 . 2]" 1
951 1 63 SER HA 1 64 ILE H . . 3.130 2.223 2.084 2.375 . 0 0 "[ . 1 . 2]" 1
952 1 63 SER HA 1 64 ILE HB . . 4.940 4.741 4.570 4.937 . 0 0 "[ . 1 . 2]" 1
953 1 63 SER HA 1 64 ILE MD . . 5.070 4.748 3.991 5.090 0.020 14 0 "[ . 1 . 2]" 1
954 1 63 SER HA 1 65 ALA H . . 4.520 4.097 3.799 4.573 0.053 18 0 "[ . 1 . 2]" 1
955 1 63 SER HB3 1 64 ILE H . . 3.620 3.146 2.573 3.694 0.074 5 0 "[ . 1 . 2]" 1
956 1 63 SER HB3 1 65 ALA H . . 3.660 3.113 2.475 3.736 0.076 5 0 "[ . 1 . 2]" 1
957 1 63 SER HB3 1 65 ALA MB . . 4.410 3.390 2.631 4.164 . 0 0 "[ . 1 . 2]" 1
958 1 63 SER HB3 1 66 ALA H . . 4.510 3.926 3.090 4.575 0.065 9 0 "[ . 1 . 2]" 1
959 1 64 ILE H 1 64 ILE HB . . 3.070 2.584 2.387 2.697 . 0 0 "[ . 1 . 2]" 1
960 1 64 ILE H 1 64 ILE MD . . 3.910 3.218 2.536 3.471 . 0 0 "[ . 1 . 2]" 1
961 1 64 ILE H 1 64 ILE HG13 . . 4.200 2.082 1.805 2.285 . 0 0 "[ . 1 . 2]" 1
962 1 64 ILE H 1 64 ILE MG . . 4.430 3.787 3.733 3.843 . 0 0 "[ . 1 . 2]" 1
963 1 64 ILE H 1 65 ALA H . . 3.520 2.887 2.653 3.115 . 0 0 "[ . 1 . 2]" 1
964 1 64 ILE H 1 65 ALA MB . . 4.660 4.508 4.222 4.736 0.076 2 0 "[ . 1 . 2]" 1
965 1 64 ILE H 1 66 ALA H . . 5.300 4.539 4.122 4.861 . 0 0 "[ . 1 . 2]" 1
966 1 64 ILE H 1 67 ALA H . . 5.500 4.931 4.685 5.169 . 0 0 "[ . 1 . 2]" 1
967 1 64 ILE HA 1 64 ILE MD . . 3.910 3.905 3.835 3.955 0.045 1 0 "[ . 1 . 2]" 1
968 1 64 ILE HA 1 64 ILE HG13 . . 3.890 2.843 2.534 3.091 . 0 0 "[ . 1 . 2]" 1
969 1 64 ILE HA 1 64 ILE MG . . 3.240 2.401 2.317 2.482 . 0 0 "[ . 1 . 2]" 1
970 1 64 ILE HA 1 66 ALA H . . 5.270 4.309 3.850 4.579 . 0 0 "[ . 1 . 2]" 1
971 1 64 ILE HA 1 67 ALA H . . 4.300 3.193 2.979 3.341 . 0 0 "[ . 1 . 2]" 1
972 1 64 ILE HA 1 67 ALA MB . . 3.600 2.303 2.084 2.642 . 0 0 "[ . 1 . 2]" 1
973 1 64 ILE HA 1 68 ILE H . . 5.030 3.965 3.720 4.466 . 0 0 "[ . 1 . 2]" 1
974 1 64 ILE HA 1 68 ILE MD . . 5.210 4.557 4.040 5.031 . 0 0 "[ . 1 . 2]" 1
975 1 64 ILE HB 1 64 ILE MD . . 2.770 2.335 2.186 2.454 . 0 0 "[ . 1 . 2]" 1
976 1 64 ILE HB 1 65 ALA H . . 3.310 2.850 2.722 3.035 . 0 0 "[ . 1 . 2]" 1
977 1 64 ILE HB 1 65 ALA MB . . 4.540 4.299 4.210 4.381 . 0 0 "[ . 1 . 2]" 1
978 1 64 ILE MD 1 64 ILE MG . . 2.860 2.182 2.070 2.591 . 0 0 "[ . 1 . 2]" 1
979 1 64 ILE MD 1 65 ALA H . . 4.820 4.573 4.022 4.785 . 0 0 "[ . 1 . 2]" 1
980 1 64 ILE HG13 1 67 ALA MB . . 4.760 4.627 4.138 4.856 0.096 20 0 "[ . 1 . 2]" 1
981 1 64 ILE MG 1 65 ALA H . . 4.060 3.639 3.411 3.851 . 0 0 "[ . 1 . 2]" 1
982 1 64 ILE MG 1 65 ALA HA . . 4.130 3.715 3.456 3.927 . 0 0 "[ . 1 . 2]" 1
983 1 64 ILE MG 1 66 ALA H . . 5.490 5.100 4.655 5.378 . 0 0 "[ . 1 . 2]" 1
984 1 64 ILE MG 1 67 ALA H . . 5.210 4.347 4.163 4.592 . 0 0 "[ . 1 . 2]" 1
985 1 64 ILE MG 1 67 ALA MB . . 4.130 2.980 2.730 3.178 . 0 0 "[ . 1 . 2]" 1
986 1 64 ILE MG 1 68 ILE H . . 4.750 3.523 3.345 3.761 . 0 0 "[ . 1 . 2]" 1
987 1 65 ALA H 1 65 ALA MB . . 2.960 2.230 2.177 2.282 . 0 0 "[ . 1 . 2]" 1
988 1 65 ALA H 1 66 ALA H . . 3.540 2.889 2.684 2.995 . 0 0 "[ . 1 . 2]" 1
989 1 65 ALA H 1 66 ALA HA . . 5.500 5.513 5.396 5.575 0.075 19 0 "[ . 1 . 2]" 1
990 1 65 ALA H 1 67 ALA H . . 4.750 4.181 3.930 4.459 . 0 0 "[ . 1 . 2]" 1
991 1 65 ALA H 1 67 ALA MB . . 5.500 4.718 4.439 4.945 . 0 0 "[ . 1 . 2]" 1
992 1 65 ALA H 1 68 ILE MD . . 5.180 3.997 3.510 4.643 . 0 0 "[ . 1 . 2]" 1
993 1 65 ALA HA 1 68 ILE H . . 4.110 3.564 3.367 3.821 . 0 0 "[ . 1 . 2]" 1
994 1 65 ALA HA 1 68 ILE HB . . 3.360 2.868 2.560 3.376 0.016 9 0 "[ . 1 . 2]" 1
995 1 65 ALA HA 1 68 ILE MD . . 3.420 2.305 2.083 3.091 . 0 0 "[ . 1 . 2]" 1
996 1 65 ALA HA 1 68 ILE HG13 . . 4.830 3.793 2.932 4.129 . 0 0 "[ . 1 . 2]" 1
997 1 65 ALA MB 1 66 ALA H . . 3.350 2.546 2.278 2.917 . 0 0 "[ . 1 . 2]" 1
998 1 65 ALA MB 1 68 ILE MD . . 4.550 3.629 3.406 4.353 . 0 0 "[ . 1 . 2]" 1
999 1 66 ALA H 1 66 ALA MB . . 3.090 2.180 2.040 2.264 . 0 0 "[ . 1 . 2]" 1
1000 1 66 ALA H 1 67 ALA H . . 3.350 2.615 2.356 2.797 . 0 0 "[ . 1 . 2]" 1
1001 1 66 ALA H 1 67 ALA MB . . 4.780 4.209 3.901 4.466 . 0 0 "[ . 1 . 2]" 1
1002 1 66 ALA H 1 68 ILE H . . 4.940 4.276 3.945 4.595 . 0 0 "[ . 1 . 2]" 1
1003 1 66 ALA HA 1 69 ALA H . . 4.180 3.754 3.502 4.161 . 0 0 "[ . 1 . 2]" 1
1004 1 66 ALA HA 1 69 ALA MB . . 3.610 3.014 2.457 3.692 0.082 10 0 "[ . 1 . 2]" 1
1005 1 66 ALA HA 1 70 ALA H . . 4.660 3.995 3.683 4.370 . 0 0 "[ . 1 . 2]" 1
1006 1 66 ALA MB 1 67 ALA H . . 3.520 2.727 2.434 3.060 . 0 0 "[ . 1 . 2]" 1
1007 1 66 ALA MB 1 67 ALA MB . . 4.420 3.828 3.589 4.143 . 0 0 "[ . 1 . 2]" 1
1008 1 67 ALA H 1 67 ALA MB . . 3.120 2.153 1.983 2.297 . 0 0 "[ . 1 . 2]" 1
1009 1 67 ALA H 1 68 ILE H . . 3.380 2.713 2.446 2.875 . 0 0 "[ . 1 . 2]" 1
1010 1 67 ALA H 1 68 ILE HA . . 5.500 5.297 5.072 5.448 . 0 0 "[ . 1 . 2]" 1
1011 1 67 ALA H 1 70 ALA H . . 5.480 4.727 4.596 4.891 . 0 0 "[ . 1 . 2]" 1
1012 1 67 ALA H 1 71 VAL QG . . 5.500 5.473 5.432 5.513 0.013 8 0 "[ . 1 . 2]" 1
1013 1 67 ALA HA 1 70 ALA H . . 3.960 3.610 3.308 3.818 . 0 0 "[ . 1 . 2]" 1
1014 1 67 ALA HA 1 70 ALA MB . . 3.680 2.622 2.185 3.172 . 0 0 "[ . 1 . 2]" 1
1015 1 67 ALA HA 1 71 VAL H . . 4.820 3.814 3.568 4.199 . 0 0 "[ . 1 . 2]" 1
1016 1 67 ALA HA 1 71 VAL QG . . 5.090 3.493 3.260 3.654 . 0 0 "[ . 1 . 2]" 1
1017 1 67 ALA MB 1 68 ILE H . . 3.470 2.522 2.182 2.712 . 0 0 "[ . 1 . 2]" 1
1018 1 67 ALA MB 1 69 ALA H . . 5.230 4.786 4.607 4.985 . 0 0 "[ . 1 . 2]" 1
1019 1 67 ALA MB 1 70 ALA H . . 5.260 4.741 4.510 4.898 . 0 0 "[ . 1 . 2]" 1
1020 1 67 ALA MB 1 71 VAL QG . . 4.610 3.281 3.033 3.525 . 0 0 "[ . 1 . 2]" 1
1021 1 67 ALA MB 1 88 TYR QD . . 4.420 3.874 3.313 4.240 . 0 0 "[ . 1 . 2]" 1
1022 1 67 ALA MB 1 88 TYR QE . . 3.550 3.125 2.418 3.665 0.115 3 0 "[ . 1 . 2]" 1
1023 1 68 ILE H 1 68 ILE HB . . 3.160 2.450 2.326 2.676 . 0 0 "[ . 1 . 2]" 1
1024 1 68 ILE H 1 68 ILE MD . . 3.760 3.357 3.194 3.527 . 0 0 "[ . 1 . 2]" 1
1025 1 68 ILE H 1 68 ILE HG13 . . 3.800 2.212 1.872 2.353 . 0 0 "[ . 1 . 2]" 1
1026 1 68 ILE H 1 68 ILE MG . . 3.700 3.773 3.746 3.791 0.091 15 0 "[ . 1 . 2]" 1
1027 1 68 ILE H 1 69 ALA H . . 3.180 2.965 2.784 3.120 . 0 0 "[ . 1 . 2]" 1
1028 1 68 ILE H 1 69 ALA MB . . 4.640 4.558 4.370 4.701 0.061 10 0 "[ . 1 . 2]" 1
1029 1 68 ILE H 1 70 ALA H . . 4.860 4.291 4.063 4.527 . 0 0 "[ . 1 . 2]" 1
1030 1 68 ILE H 1 71 VAL QG . . 5.500 4.648 4.514 4.863 . 0 0 "[ . 1 . 2]" 1
1031 1 68 ILE HA 1 68 ILE MD . . 3.970 3.886 3.805 3.945 . 0 0 "[ . 1 . 2]" 1
1032 1 68 ILE HA 1 68 ILE HG13 . . 3.470 2.796 2.624 3.152 . 0 0 "[ . 1 . 2]" 1
1033 1 68 ILE HA 1 68 ILE MG . . 3.270 2.523 2.398 2.645 . 0 0 "[ . 1 . 2]" 1
1034 1 68 ILE HA 1 71 VAL H . . 4.170 3.885 3.696 4.105 . 0 0 "[ . 1 . 2]" 1
1035 1 68 ILE HA 1 71 VAL HB . . 3.460 3.083 2.677 3.521 0.061 17 0 "[ . 1 . 2]" 1
1036 1 68 ILE HA 1 71 VAL QG . . 4.280 3.555 3.288 3.978 . 0 0 "[ . 1 . 2]" 1
1037 1 68 ILE HA 1 72 ASN H . . 4.590 4.054 3.905 4.291 . 0 0 "[ . 1 . 2]" 1
1038 1 68 ILE HA 1 88 TYR QE . . 4.100 3.498 2.453 3.782 . 0 0 "[ . 1 . 2]" 1
1039 1 68 ILE HB 1 69 ALA H . . 3.360 2.446 2.282 2.529 . 0 0 "[ . 1 . 2]" 1
1040 1 68 ILE MD 1 69 ALA H . . 4.340 4.381 4.227 4.421 0.081 14 0 "[ . 1 . 2]" 1
1041 1 68 ILE MD 1 88 TYR QE . . 5.030 4.292 3.715 4.892 . 0 0 "[ . 1 . 2]" 1
1042 1 68 ILE HG13 1 68 ILE MG . . 3.270 3.218 3.199 3.251 . 0 0 "[ . 1 . 2]" 1
1043 1 68 ILE HG13 1 69 ALA H . . 5.200 4.430 4.148 4.601 . 0 0 "[ . 1 . 2]" 1
1044 1 68 ILE HG13 1 88 TYR QE . . 5.320 3.280 2.757 3.791 . 0 0 "[ . 1 . 2]" 1
1045 1 68 ILE MG 1 69 ALA H . . 3.750 3.065 2.739 3.352 . 0 0 "[ . 1 . 2]" 1
1046 1 68 ILE MG 1 69 ALA HA . . 3.710 3.209 2.933 3.493 . 0 0 "[ . 1 . 2]" 1
1047 1 68 ILE MG 1 69 ALA MB . . 4.480 3.642 3.223 4.082 . 0 0 "[ . 1 . 2]" 1
1048 1 68 ILE MG 1 70 ALA H . . 5.500 4.990 4.723 5.297 . 0 0 "[ . 1 . 2]" 1
1049 1 68 ILE MG 1 71 VAL H . . 5.500 5.122 4.877 5.348 . 0 0 "[ . 1 . 2]" 1
1050 1 68 ILE MG 1 72 ASN H . . 4.820 4.197 3.957 4.502 . 0 0 "[ . 1 . 2]" 1
1051 1 68 ILE MG 1 72 ASN HB3 . . 5.380 4.730 4.271 5.181 . 0 0 "[ . 1 . 2]" 1
1052 1 68 ILE MG 1 72 ASN HD21 . . 3.820 2.711 2.118 3.510 . 0 0 "[ . 1 . 2]" 1
1053 1 68 ILE MG 1 72 ASN HD22 . . 3.660 3.057 2.330 3.756 0.096 15 0 "[ . 1 . 2]" 1
1054 1 69 ALA H 1 69 ALA MB . . 3.020 2.192 2.118 2.263 . 0 0 "[ . 1 . 2]" 1
1055 1 69 ALA H 1 70 ALA H . . 3.320 2.816 2.683 2.999 . 0 0 "[ . 1 . 2]" 1
1056 1 69 ALA H 1 71 VAL H . . 4.910 4.479 4.294 4.691 . 0 0 "[ . 1 . 2]" 1
1057 1 69 ALA HA 1 71 VAL H . . 5.310 4.678 4.363 4.862 . 0 0 "[ . 1 . 2]" 1
1058 1 69 ALA HA 1 72 ASN H . . 4.170 3.441 3.089 3.669 . 0 0 "[ . 1 . 2]" 1
1059 1 69 ALA HA 1 72 ASN HB3 . . 3.530 3.528 2.910 3.611 0.081 18 0 "[ . 1 . 2]" 1
1060 1 69 ALA HA 1 72 ASN HD21 . . 4.720 3.522 2.823 4.242 . 0 0 "[ . 1 . 2]" 1
1061 1 69 ALA HA 1 72 ASN HD22 . . 5.160 4.925 4.440 5.230 0.070 3 0 "[ . 1 . 2]" 1
1062 1 69 ALA HA 1 73 ALA H . . 4.960 4.112 3.681 4.741 . 0 0 "[ . 1 . 2]" 1
1063 1 69 ALA MB 1 70 ALA H . . 3.530 2.643 2.451 2.868 . 0 0 "[ . 1 . 2]" 1
1064 1 70 ALA H 1 70 ALA MB . . 3.030 2.224 2.101 2.257 . 0 0 "[ . 1 . 2]" 1
1065 1 70 ALA H 1 71 VAL H . . 3.310 2.789 2.594 2.911 . 0 0 "[ . 1 . 2]" 1
1066 1 70 ALA H 1 71 VAL QG . . 4.670 4.283 4.109 4.396 . 0 0 "[ . 1 . 2]" 1
1067 1 70 ALA HA 1 73 ALA H . . 4.110 3.562 3.185 3.829 . 0 0 "[ . 1 . 2]" 1
1068 1 70 ALA HA 1 73 ALA MB . . 3.450 2.896 2.495 3.370 . 0 0 "[ . 1 . 2]" 1
1069 1 70 ALA HA 1 74 LEU H . . 5.200 4.155 3.756 5.195 . 0 0 "[ . 1 . 2]" 1
1070 1 70 ALA HA 1 74 LEU QD . . 4.860 3.495 2.787 4.165 . 0 0 "[ . 1 . 2]" 1
1071 1 70 ALA MB 1 71 VAL H . . 3.380 2.417 2.223 2.779 . 0 0 "[ . 1 . 2]" 1
1072 1 70 ALA MB 1 71 VAL QG . . 4.400 3.041 2.642 3.339 . 0 0 "[ . 1 . 2]" 1
1073 1 70 ALA MB 1 72 ASN H . . 5.500 4.492 4.281 4.679 . 0 0 "[ . 1 . 2]" 1
1074 1 70 ALA MB 1 73 ALA H . . 4.670 4.644 4.445 4.763 0.093 7 0 "[ . 1 . 2]" 1
1075 1 70 ALA MB 1 74 LEU QD . . 3.710 2.879 2.338 3.560 . 0 0 "[ . 1 . 2]" 1
1076 1 71 VAL H 1 71 VAL HB . . 3.100 2.395 2.263 2.525 . 0 0 "[ . 1 . 2]" 1
1077 1 71 VAL H 1 71 VAL QG . . 3.160 2.210 2.071 2.351 . 0 0 "[ . 1 . 2]" 1
1078 1 71 VAL H 1 72 ASN H . . 3.410 2.731 2.608 2.819 . 0 0 "[ . 1 . 2]" 1
1079 1 71 VAL H 1 72 ASN HA . . 5.410 5.340 5.235 5.425 0.015 15 0 "[ . 1 . 2]" 1
1080 1 71 VAL H 1 73 ALA H . . 4.770 4.231 4.013 4.479 . 0 0 "[ . 1 . 2]" 1
1081 1 71 VAL HA 1 71 VAL QG . . 3.070 2.143 2.079 2.199 . 0 0 "[ . 1 . 2]" 1
1082 1 71 VAL HA 1 74 LEU H . . 4.310 3.485 3.145 3.796 . 0 0 "[ . 1 . 2]" 1
1083 1 71 VAL HA 1 74 LEU HB3 . . 4.700 4.367 4.010 4.776 0.076 10 0 "[ . 1 . 2]" 1
1084 1 71 VAL HA 1 74 LEU QD . . 5.500 3.616 3.013 4.178 . 0 0 "[ . 1 . 2]" 1
1085 1 71 VAL HA 1 75 HIS H . . 4.440 3.382 2.935 3.872 . 0 0 "[ . 1 . 2]" 1
1086 1 71 VAL HA 1 86 ALA MB . . 3.730 2.944 2.451 3.539 . 0 0 "[ . 1 . 2]" 1
1087 1 71 VAL HB 1 72 ASN H . . 3.530 2.695 2.483 2.906 . 0 0 "[ . 1 . 2]" 1
1088 1 71 VAL HB 1 73 ALA H . . 5.500 5.143 4.973 5.324 . 0 0 "[ . 1 . 2]" 1
1089 1 71 VAL QG 1 72 ASN H . . 3.930 3.187 2.915 3.308 . 0 0 "[ . 1 . 2]" 1
1090 1 71 VAL QG 1 72 ASN HA . . 4.260 3.420 3.194 3.576 . 0 0 "[ . 1 . 2]" 1
1091 1 71 VAL QG 1 72 ASN HB3 . . 5.500 5.261 4.936 5.364 . 0 0 "[ . 1 . 2]" 1
1092 1 71 VAL QG 1 73 ALA H . . 5.500 4.616 4.448 4.709 . 0 0 "[ . 1 . 2]" 1
1093 1 71 VAL QG 1 74 LEU H . . 5.500 4.432 4.166 4.697 . 0 0 "[ . 1 . 2]" 1
1094 1 71 VAL QG 1 74 LEU QD . . 5.380 3.987 3.477 4.520 . 0 0 "[ . 1 . 2]" 1
1095 1 71 VAL QG 1 75 HIS H . . 4.310 3.479 3.136 3.986 . 0 0 "[ . 1 . 2]" 1
1096 1 71 VAL QG 1 75 HIS HA . . 5.200 4.623 4.247 5.071 . 0 0 "[ . 1 . 2]" 1
1097 1 71 VAL QG 1 75 HIS HB3 . . 4.130 3.018 2.424 3.462 . 0 0 "[ . 1 . 2]" 1
1098 1 71 VAL QG 1 75 HIS HD2 . . 5.070 4.713 3.750 5.098 0.028 17 0 "[ . 1 . 2]" 1
1099 1 71 VAL QG 1 86 ALA H . . 5.500 3.961 3.626 4.147 . 0 0 "[ . 1 . 2]" 1
1100 1 71 VAL QG 1 86 ALA HA . . 5.500 4.288 4.005 4.545 . 0 0 "[ . 1 . 2]" 1
1101 1 71 VAL QG 1 86 ALA MB . . 3.350 2.011 1.849 2.134 . 0 0 "[ . 1 . 2]" 1
1102 1 71 VAL QG 1 87 ALA H . . 5.360 3.860 3.375 4.378 . 0 0 "[ . 1 . 2]" 1
1103 1 71 VAL QG 1 87 ALA HA . . 5.450 3.850 3.225 4.314 . 0 0 "[ . 1 . 2]" 1
1104 1 71 VAL QG 1 88 TYR QD . . 4.660 2.898 2.424 3.466 . 0 0 "[ . 1 . 2]" 1
1105 1 71 VAL QG 1 88 TYR QE . . 3.790 2.205 2.029 2.778 . 0 0 "[ . 1 . 2]" 1
1106 1 72 ASN H 1 72 ASN HB3 . . 3.370 3.369 3.105 3.446 0.076 14 0 "[ . 1 . 2]" 1
1107 1 72 ASN H 1 72 ASN HD21 . . 5.090 3.643 2.425 4.729 . 0 0 "[ . 1 . 2]" 1
1108 1 72 ASN H 1 72 ASN HD22 . . 5.410 4.705 3.947 5.451 0.041 8 0 "[ . 1 . 2]" 1
1109 1 72 ASN H 1 73 ALA H . . 3.350 2.783 2.656 2.884 . 0 0 "[ . 1 . 2]" 1
1110 1 72 ASN H 1 73 ALA MB . . 4.800 4.448 4.309 4.582 . 0 0 "[ . 1 . 2]" 1
1111 1 72 ASN HA 1 75 HIS H . . 5.040 4.178 3.568 4.451 . 0 0 "[ . 1 . 2]" 1
1112 1 72 ASN HA 1 75 HIS HB3 . . 4.900 3.882 2.780 4.466 . 0 0 "[ . 1 . 2]" 1
1113 1 72 ASN HB3 1 73 ALA H . . 3.970 3.252 2.729 3.689 . 0 0 "[ . 1 . 2]" 1
1114 1 72 ASN HB3 1 73 ALA MB . . 4.850 4.320 3.852 4.732 . 0 0 "[ . 1 . 2]" 1
1115 1 73 ALA H 1 73 ALA MB . . 2.960 2.220 2.101 2.293 . 0 0 "[ . 1 . 2]" 1
1116 1 73 ALA H 1 74 LEU H . . 3.270 2.629 2.449 2.852 . 0 0 "[ . 1 . 2]" 1
1117 1 73 ALA H 1 74 LEU HA . . 5.400 5.233 5.091 5.447 0.047 10 0 "[ . 1 . 2]" 1
1118 1 73 ALA H 1 75 HIS H . . 4.600 4.395 3.968 4.665 0.065 5 0 "[ . 1 . 2]" 1
1119 1 73 ALA MB 1 74 LEU H . . 3.450 2.411 2.168 3.156 . 0 0 "[ . 1 . 2]" 1
1120 1 73 ALA MB 1 74 LEU QD . . 4.280 2.852 2.115 3.618 . 0 0 "[ . 1 . 2]" 1
1121 1 74 LEU H 1 74 LEU HB3 . . 3.750 3.536 3.443 3.601 . 0 0 "[ . 1 . 2]" 1
1122 1 74 LEU H 1 74 LEU QD . . 4.040 2.853 2.174 3.343 . 0 0 "[ . 1 . 2]" 1
1123 1 74 LEU H 1 75 HIS H . . 3.360 2.784 2.221 2.978 . 0 0 "[ . 1 . 2]" 1
1124 1 74 LEU H 1 75 HIS HB3 . . 5.420 5.062 4.422 5.348 . 0 0 "[ . 1 . 2]" 1
1125 1 74 LEU HA 1 74 LEU QD . . 3.050 2.244 2.036 2.644 . 0 0 "[ . 1 . 2]" 1
1126 1 74 LEU HA 1 77 ARG H . . 4.840 3.952 3.575 4.527 . 0 0 "[ . 1 . 2]" 1
1127 1 74 LEU HA 1 77 ARG HB3 . . 3.900 3.814 2.754 5.453 1.553 1 5 "[+* * 1 *. - 2]" 1
1128 1 74 LEU HA 1 77 ARG HG3 . . 4.610 3.872 2.626 5.536 0.926 1 4 "[+ . 1 * *- 2]" 1
1129 1 74 LEU HB3 1 75 HIS H . . 4.590 3.456 3.005 3.883 . 0 0 "[ . 1 . 2]" 1
1130 1 74 LEU QD 1 75 HIS H . . 5.330 4.153 3.978 4.388 . 0 0 "[ . 1 . 2]" 1
1131 1 75 HIS H 1 75 HIS HB3 . . 3.300 2.489 2.334 2.650 . 0 0 "[ . 1 . 2]" 1
1132 1 75 HIS H 1 75 HIS HD2 . . 5.170 4.875 4.609 5.094 . 0 0 "[ . 1 . 2]" 1
1133 1 75 HIS H 1 86 ALA H . . 4.770 4.707 4.056 4.845 0.075 20 0 "[ . 1 . 2]" 1
1134 1 75 HIS H 1 86 ALA MB . . 4.760 3.512 3.015 4.097 . 0 0 "[ . 1 . 2]" 1
1135 1 75 HIS HA 1 76 GLY H . . 2.910 2.159 2.022 2.224 . 0 0 "[ . 1 . 2]" 1
1136 1 75 HIS HA 1 76 GLY HA2 . . 4.600 4.366 4.263 4.455 . 0 0 "[ . 1 . 2]" 1
1137 1 75 HIS HA 1 77 ARG H . . 4.210 3.598 3.346 3.846 . 0 0 "[ . 1 . 2]" 1
1138 1 75 HIS HA 1 84 ILE HB . . 4.360 4.034 3.354 4.431 0.071 9 0 "[ . 1 . 2]" 1
1139 1 75 HIS HA 1 84 ILE MG . . 4.220 3.074 2.285 3.605 . 0 0 "[ . 1 . 2]" 1
1140 1 75 HIS HA 1 85 THR HA . . 3.910 2.331 2.022 3.049 . 0 0 "[ . 1 . 2]" 1
1141 1 75 HIS HA 1 86 ALA H . . 4.120 3.116 2.591 3.578 . 0 0 "[ . 1 . 2]" 1
1142 1 75 HIS HA 1 86 ALA MB . . 4.100 3.648 3.059 4.160 0.060 18 0 "[ . 1 . 2]" 1
1143 1 75 HIS HB3 1 75 HIS HD2 . . 3.900 2.757 2.502 3.136 . 0 0 "[ . 1 . 2]" 1
1144 1 75 HIS HB3 1 86 ALA H . . 5.110 4.044 3.637 4.419 . 0 0 "[ . 1 . 2]" 1
1145 1 75 HIS HB3 1 86 ALA MB . . 3.890 3.683 3.226 3.975 0.085 8 0 "[ . 1 . 2]" 1
1146 1 75 HIS HD2 1 76 GLY HA2 . . 5.460 4.596 3.530 5.545 0.085 2 0 "[ . 1 . 2]" 1
1147 1 75 HIS HD2 1 76 GLY HA3 . . 5.300 4.014 2.672 5.317 0.017 1 0 "[ . 1 . 2]" 1
1148 1 75 HIS HD2 1 86 ALA MB . . 5.500 5.408 5.004 5.608 0.108 10 0 "[ . 1 . 2]" 1
1149 1 75 HIS HE1 1 85 THR HA . . 4.340 4.135 3.448 4.410 0.070 19 0 "[ . 1 . 2]" 1
1150 1 75 HIS HE1 1 85 THR HB . . 3.710 3.395 2.575 3.788 0.078 15 0 "[ . 1 . 2]" 1
1151 1 75 HIS HE1 1 85 THR MG . . 3.610 3.280 2.284 3.710 0.100 2 0 "[ . 1 . 2]" 1
1152 1 76 GLY H 1 77 ARG H . . 3.360 2.484 2.116 2.852 . 0 0 "[ . 1 . 2]" 1
1153 1 76 GLY H 1 77 ARG HB3 . . 5.170 5.309 4.365 6.140 0.970 3 6 "[-*+** 1 *. 2]" 1
1154 1 76 GLY H 1 83 MET ME . . 4.360 4.284 3.918 4.449 0.089 10 0 "[ . 1 . 2]" 1
1155 1 76 GLY H 1 83 MET HG3 . . 5.170 4.091 3.460 5.053 . 0 0 "[ . 1 . 2]" 1
1156 1 76 GLY H 1 84 ILE H . . 5.370 3.965 3.599 4.457 . 0 0 "[ . 1 . 2]" 1
1157 1 76 GLY H 1 84 ILE HB . . 4.560 3.672 3.084 4.108 . 0 0 "[ . 1 . 2]" 1
1158 1 76 GLY H 1 84 ILE MG . . 4.430 3.876 3.310 4.488 0.058 10 0 "[ . 1 . 2]" 1
1159 1 76 GLY H 1 85 THR H . . 5.500 4.747 4.415 5.127 . 0 0 "[ . 1 . 2]" 1
1160 1 76 GLY H 1 85 THR HA . . 3.620 3.060 2.511 3.667 0.047 18 0 "[ . 1 . 2]" 1
1161 1 76 GLY H 1 85 THR HB . . 5.500 5.133 3.832 5.582 0.082 18 0 "[ . 1 . 2]" 1
1162 1 76 GLY H 1 85 THR MG . . 5.500 3.526 3.031 4.684 . 0 0 "[ . 1 . 2]" 1
1163 1 76 GLY H 1 86 ALA H . . 4.820 4.755 4.258 4.908 0.088 1 0 "[ . 1 . 2]" 1
1164 1 76 GLY HA2 1 83 MET ME . . 4.100 2.692 2.124 3.708 . 0 0 "[ . 1 . 2]" 1
1165 1 76 GLY HA2 1 83 MET HG3 . . 4.330 3.349 2.743 4.386 0.056 9 0 "[ . 1 . 2]" 1
1166 1 76 GLY HA2 1 85 THR MG . . 5.500 4.195 3.473 5.587 0.087 2 0 "[ . 1 . 2]" 1
1167 1 77 ARG H 1 77 ARG HB3 . . 3.100 3.066 2.206 3.796 0.696 3 3 "[ + * 1 -. 2]" 1
1168 1 77 ARG H 1 77 ARG HG3 . . 4.450 3.803 2.530 4.523 0.073 9 0 "[ . 1 . 2]" 1
1169 1 77 ARG H 1 78 TRP H . . 4.780 4.585 4.354 4.720 . 0 0 "[ . 1 . 2]" 1
1170 1 77 ARG H 1 83 MET HG3 . . 4.700 4.436 3.930 4.764 0.064 5 0 "[ . 1 . 2]" 1
1171 1 77 ARG H 1 84 ILE H . . 4.660 3.764 3.065 4.082 . 0 0 "[ . 1 . 2]" 1
1172 1 77 ARG H 1 84 ILE HB . . 3.920 2.979 2.369 3.306 . 0 0 "[ . 1 . 2]" 1
1173 1 77 ARG HA 1 77 ARG HG3 . . 3.830 3.078 2.196 3.758 . 0 0 "[ . 1 . 2]" 1
1174 1 77 ARG HA 1 78 TRP H . . 2.860 2.397 2.203 2.603 . 0 0 "[ . 1 . 2]" 1
1175 1 77 ARG HA 1 78 TRP HA . . 5.200 4.482 4.376 4.565 . 0 0 "[ . 1 . 2]" 1
1176 1 77 ARG HA 1 78 TRP HD1 . . 4.420 3.935 3.231 4.453 0.033 11 0 "[ . 1 . 2]" 1
1177 1 77 ARG HB3 1 78 TRP H . . 3.950 3.118 2.213 4.251 0.301 16 0 "[ . 1 . 2]" 1
1178 1 78 TRP H 1 78 TRP HD1 . . 4.110 3.439 2.959 3.953 . 0 0 "[ . 1 . 2]" 1
1179 1 78 TRP H 1 79 PHE H . . 5.090 4.231 3.971 4.469 . 0 0 "[ . 1 . 2]" 1
1180 1 78 TRP H 1 84 ILE HG13 . . 4.950 5.728 4.375 6.307 1.357 17 17 "[ *************+-**]" 1
1181 1 78 TRP HA 1 78 TRP HD1 . . 4.910 4.063 3.760 4.299 . 0 0 "[ . 1 . 2]" 1
1182 1 78 TRP HA 1 78 TRP HE3 . . 4.270 3.072 2.679 3.555 . 0 0 "[ . 1 . 2]" 1
1183 1 78 TRP HA 1 79 PHE H . . 2.960 2.092 1.989 2.349 . 0 0 "[ . 1 . 2]" 1
1184 1 78 TRP HA 1 82 LYS H . . 4.690 4.447 4.023 4.772 0.082 4 0 "[ . 1 . 2]" 1
1185 1 78 TRP HA 1 83 MET H . . 5.450 4.879 4.583 5.269 . 0 0 "[ . 1 . 2]" 1
1186 1 78 TRP HA 1 83 MET HA . . 3.360 2.357 1.994 2.808 . 0 0 "[ . 1 . 2]" 1
1187 1 78 TRP HA 1 83 MET HB3 . . 5.350 5.320 4.895 5.795 0.445 9 0 "[ . 1 . 2]" 1
1188 1 78 TRP HA 1 83 MET HG3 . . 5.230 3.776 2.976 4.344 . 0 0 "[ . 1 . 2]" 1
1189 1 78 TRP HA 1 84 ILE H . . 4.120 3.295 2.991 3.709 . 0 0 "[ . 1 . 2]" 1
1190 1 78 TRP HA 1 84 ILE MD . . 5.500 4.956 4.549 5.222 . 0 0 "[ . 1 . 2]" 1
1191 1 78 TRP HB3 1 78 TRP HE3 . . 3.680 2.649 2.517 2.783 . 0 0 "[ . 1 . 2]" 1
1192 1 78 TRP HB3 1 79 PHE H . . 4.330 3.325 2.261 3.687 . 0 0 "[ . 1 . 2]" 1
1193 1 78 TRP HB3 1 81 GLY H . . 5.050 4.756 3.986 5.127 0.077 4 0 "[ . 1 . 2]" 1
1194 1 78 TRP HE1 1 83 MET HB3 . . 5.500 6.543 5.599 7.174 1.674 18 16 "[***** ***1** -**+**]" 1
1195 1 78 TRP HE1 1 83 MET ME . . 4.530 2.865 2.165 4.618 0.088 14 0 "[ . 1 . 2]" 1
1196 1 78 TRP HE1 1 83 MET HG3 . . 4.960 4.634 3.414 5.031 0.071 2 0 "[ . 1 . 2]" 1
1197 1 78 TRP HE3 1 79 PHE H . . 5.450 3.575 2.710 4.364 . 0 0 "[ . 1 . 2]" 1
1198 1 78 TRP HE3 1 81 GLY H . . 5.500 4.382 2.969 5.295 . 0 0 "[ . 1 . 2]" 1
1199 1 78 TRP HE3 1 82 LYS H . . 4.600 3.231 2.469 4.001 . 0 0 "[ . 1 . 2]" 1
1200 1 78 TRP HE3 1 82 LYS HA . . 4.630 3.827 3.322 4.501 . 0 0 "[ . 1 . 2]" 1
1201 1 78 TRP HE3 1 83 MET H . . 4.970 4.111 3.670 4.631 . 0 0 "[ . 1 . 2]" 1
1202 1 78 TRP HE3 1 83 MET HA . . 5.200 3.427 3.034 4.006 . 0 0 "[ . 1 . 2]" 1
1203 1 78 TRP HE3 1 83 MET HB3 . . 5.500 5.326 4.906 6.047 0.547 1 2 "[+- . 1 . 2]" 1
1204 1 78 TRP HE3 1 83 MET ME . . 5.500 5.007 4.611 5.594 0.094 14 0 "[ . 1 . 2]" 1
1205 1 78 TRP HH2 1 83 MET H . . 4.750 4.741 4.160 4.822 0.072 8 0 "[ . 1 . 2]" 1
1206 1 78 TRP HH2 1 83 MET HB3 . . 4.960 4.737 4.127 5.432 0.472 2 0 "[ . 1 . 2]" 1
1207 1 78 TRP HZ2 1 83 MET HB3 . . 4.930 5.365 4.732 5.933 1.003 2 10 "[*+*** *-1** . * 2]" 1
1208 1 78 TRP HZ2 1 83 MET ME . . 4.280 2.852 2.352 3.710 . 0 0 "[ . 1 . 2]" 1
1209 1 78 TRP HZ3 1 82 LYS HA . . 5.500 3.132 2.326 3.880 . 0 0 "[ . 1 . 2]" 1
1210 1 78 TRP HZ3 1 83 MET HB3 . . 4.990 4.721 4.274 5.499 0.509 1 1 "[+ . 1 . 2]" 1
1211 1 79 PHE H 1 79 PHE HB3 . . 3.800 2.855 2.671 3.114 . 0 0 "[ . 1 . 2]" 1
1212 1 79 PHE H 1 79 PHE QD . . 5.500 3.970 3.659 4.332 . 0 0 "[ . 1 . 2]" 1
1213 1 79 PHE H 1 80 ALA H . . 5.110 4.450 4.265 4.569 . 0 0 "[ . 1 . 2]" 1
1214 1 79 PHE H 1 81 GLY H . . 5.060 4.181 3.552 4.799 . 0 0 "[ . 1 . 2]" 1
1215 1 79 PHE H 1 82 LYS H . . 3.730 3.192 2.847 3.456 . 0 0 "[ . 1 . 2]" 1
1216 1 79 PHE H 1 83 MET H . . 5.500 4.859 4.638 5.152 . 0 0 "[ . 1 . 2]" 1
1217 1 79 PHE H 1 83 MET HA . . 4.190 3.247 2.892 3.627 . 0 0 "[ . 1 . 2]" 1
1218 1 79 PHE H 1 83 MET HG3 . . 5.500 5.293 4.678 5.582 0.082 17 0 "[ . 1 . 2]" 1
1219 1 79 PHE H 1 84 ILE H . . 4.930 3.895 3.272 4.644 . 0 0 "[ . 1 . 2]" 1
1220 1 79 PHE H 1 84 ILE MD . . 5.010 3.964 3.357 4.809 . 0 0 "[ . 1 . 2]" 1
1221 1 79 PHE H 1 84 ILE HG13 . . 5.500 4.712 3.901 6.317 0.817 17 1 "[ . 1 . + 2]" 1
1222 1 79 PHE HA 1 79 PHE QD . . 3.910 2.536 2.065 2.899 . 0 0 "[ . 1 . 2]" 1
1223 1 79 PHE HA 1 79 PHE QE . . 5.250 4.383 4.239 4.558 . 0 0 "[ . 1 . 2]" 1
1224 1 79 PHE HA 1 80 ALA H . . 3.080 2.581 2.431 2.810 . 0 0 "[ . 1 . 2]" 1
1225 1 79 PHE HA 1 80 ALA HA . . 4.400 4.403 4.262 4.485 0.085 17 0 "[ . 1 . 2]" 1
1226 1 79 PHE HA 1 84 ILE MD . . 5.490 4.334 3.478 4.699 . 0 0 "[ . 1 . 2]" 1
1227 1 79 PHE HB3 1 80 ALA H . . 4.790 2.860 2.507 3.333 . 0 0 "[ . 1 . 2]" 1
1228 1 79 PHE HB3 1 82 LYS H . . 4.800 2.878 2.405 3.491 . 0 0 "[ . 1 . 2]" 1
1229 1 79 PHE HB3 1 84 ILE MD . . 4.010 3.544 3.291 3.784 . 0 0 "[ . 1 . 2]" 1
1230 1 79 PHE HB3 1 84 ILE HG13 . . 4.340 5.309 4.927 5.976 1.636 17 20 [************-***+***] 1
1231 1 79 PHE QD 1 80 ALA H . . 4.960 2.750 2.027 3.317 . 0 0 "[ . 1 . 2]" 1
1232 1 79 PHE QD 1 80 ALA HA . . 5.390 5.009 4.472 5.414 0.024 15 0 "[ . 1 . 2]" 1
1233 1 79 PHE QD 1 80 ALA MB . . 3.850 3.343 2.698 3.944 0.094 2 0 "[ . 1 . 2]" 1
1234 1 79 PHE QD 1 84 ILE MD . . 4.260 2.680 2.230 3.266 . 0 0 "[ . 1 . 2]" 1
1235 1 79 PHE QD 1 84 ILE HG13 . . 4.550 3.019 2.116 4.539 . 0 0 "[ . 1 . 2]" 1
1236 1 79 PHE QE 1 80 ALA MB . . 4.570 4.230 3.440 4.644 0.074 2 0 "[ . 1 . 2]" 1
1237 1 79 PHE QE 1 84 ILE MD . . 5.240 3.584 3.155 4.010 . 0 0 "[ . 1 . 2]" 1
1238 1 80 ALA H 1 80 ALA MB . . 3.510 2.183 2.131 2.247 . 0 0 "[ . 1 . 2]" 1
1239 1 80 ALA H 1 81 GLY H . . 3.830 3.524 2.952 3.924 0.094 8 0 "[ . 1 . 2]" 1
1240 1 80 ALA H 1 82 LYS H . . 5.200 4.477 4.033 4.788 . 0 0 "[ . 1 . 2]" 1
1241 1 80 ALA HA 1 81 GLY H . . 3.400 2.778 2.038 3.397 . 0 0 "[ . 1 . 2]" 1
1242 1 80 ALA HA 1 82 LYS H . . 5.030 4.613 4.156 5.078 0.048 7 0 "[ . 1 . 2]" 1
1243 1 80 ALA MB 1 81 GLY H . . 4.110 3.543 3.237 3.783 . 0 0 "[ . 1 . 2]" 1
1244 1 80 ALA MB 1 82 LYS H . . 5.090 4.886 4.657 5.187 0.097 7 0 "[ . 1 . 2]" 1
1245 1 81 GLY H 1 82 LYS H . . 3.560 2.189 1.812 2.673 . 0 0 "[ . 1 . 2]" 1
1246 1 81 GLY H 1 82 LYS HB3 . . 5.500 5.122 3.993 6.379 0.879 1 1 "[+ . 1 . 2]" 1
1247 1 82 LYS H 1 82 LYS HB3 . . 3.450 3.549 3.258 4.046 0.596 14 3 "[-* . 1 +. 2]" 1
1248 1 82 LYS H 1 82 LYS HG3 . . 3.750 4.091 2.940 4.595 0.845 4 10 "[* *+** 1*** .*- 2]" 1
1249 1 82 LYS H 1 83 MET H . . 4.650 4.281 4.034 4.385 . 0 0 "[ . 1 . 2]" 1
1250 1 82 LYS HA 1 82 LYS HG3 . . 3.580 3.893 3.155 4.224 0.644 12 5 "[ -** 1 + .* 2]" 1
1251 1 82 LYS HA 1 83 MET H . . 2.850 2.364 2.100 2.525 . 0 0 "[ . 1 . 2]" 1
1252 1 82 LYS HA 1 83 MET HB3 . . 4.590 4.801 4.632 5.124 0.534 14 1 "[ . 1 +. 2]" 1
1253 1 82 LYS HG3 1 83 MET H . . 4.480 4.156 3.553 4.737 0.257 1 0 "[ . 1 . 2]" 1
1254 1 83 MET H 1 83 MET HB3 . . 3.450 2.515 2.354 2.790 . 0 0 "[ . 1 . 2]" 1
1255 1 83 MET H 1 83 MET ME . . 5.320 5.058 4.070 5.435 0.115 9 0 "[ . 1 . 2]" 1
1256 1 83 MET H 1 83 MET HG3 . . 4.770 4.502 4.178 4.646 . 0 0 "[ . 1 . 2]" 1
1257 1 83 MET H 1 84 ILE H . . 4.870 4.544 4.322 4.677 . 0 0 "[ . 1 . 2]" 1
1258 1 83 MET HA 1 83 MET ME . . 4.030 3.781 3.125 4.145 0.115 13 0 "[ . 1 . 2]" 1
1259 1 83 MET HA 1 83 MET HG3 . . 3.740 2.386 2.158 2.549 . 0 0 "[ . 1 . 2]" 1
1260 1 83 MET HA 1 84 ILE H . . 3.010 2.300 2.130 2.540 . 0 0 "[ . 1 . 2]" 1
1261 1 83 MET HA 1 84 ILE HA . . 5.150 4.517 4.443 4.600 . 0 0 "[ . 1 . 2]" 1
1262 1 83 MET HA 1 84 ILE HB . . 4.810 4.664 4.509 4.821 0.011 9 0 "[ . 1 . 2]" 1
1263 1 83 MET HA 1 84 ILE MD . . 4.920 4.503 4.028 4.917 . 0 0 "[ . 1 . 2]" 1
1264 1 83 MET HA 1 84 ILE HG13 . . 4.810 5.630 5.262 5.986 1.176 17 19 "[*********-******+ **]" 1
1265 1 83 MET HB3 1 83 MET ME . . 4.220 3.609 2.026 4.277 0.057 2 0 "[ . 1 . 2]" 1
1266 1 83 MET HB3 1 84 ILE H . . 4.790 4.036 3.497 4.428 . 0 0 "[ . 1 . 2]" 1
1267 1 83 MET ME 1 84 ILE H . . 4.910 4.370 3.595 4.923 0.013 9 0 "[ . 1 . 2]" 1
1268 1 83 MET HG3 1 84 ILE H . . 4.110 2.796 2.376 3.655 . 0 0 "[ . 1 . 2]" 1
1269 1 84 ILE H 1 84 ILE HB . . 3.490 2.476 2.366 2.592 . 0 0 "[ . 1 . 2]" 1
1270 1 84 ILE H 1 84 ILE MD . . 4.090 3.519 2.891 4.061 . 0 0 "[ . 1 . 2]" 1
1271 1 84 ILE H 1 84 ILE HG13 . . 3.790 3.936 3.696 4.053 0.263 3 0 "[ . 1 . 2]" 1
1272 1 84 ILE H 1 84 ILE MG . . 3.820 3.809 3.754 3.854 0.034 9 0 "[ . 1 . 2]" 1
1273 1 84 ILE H 1 85 THR MG . . 4.880 4.348 3.489 4.797 . 0 0 "[ . 1 . 2]" 1
1274 1 84 ILE HA 1 84 ILE MD . . 3.560 2.182 2.130 2.307 . 0 0 "[ . 1 . 2]" 1
1275 1 84 ILE HA 1 84 ILE MG . . 3.250 2.436 2.346 2.502 . 0 0 "[ . 1 . 2]" 1
1276 1 84 ILE HA 1 85 THR H . . 3.050 2.140 2.087 2.216 . 0 0 "[ . 1 . 2]" 1
1277 1 84 ILE HA 1 85 THR HA . . 5.110 4.443 4.345 4.526 . 0 0 "[ . 1 . 2]" 1
1278 1 84 ILE HB 1 84 ILE MD . . 3.620 3.264 3.250 3.292 . 0 0 "[ . 1 . 2]" 1
1279 1 84 ILE HB 1 85 THR H . . 4.050 4.034 3.847 4.126 0.076 5 0 "[ . 1 . 2]" 1
1280 1 84 ILE HG13 1 84 ILE MG . . 3.540 2.286 2.124 2.435 . 0 0 "[ . 1 . 2]" 1
1281 1 84 ILE HG13 1 85 THR H . . 5.070 5.247 4.994 5.428 0.358 14 0 "[ . 1 . 2]" 1
1282 1 84 ILE MG 1 85 THR H . . 3.980 2.485 2.247 2.659 . 0 0 "[ . 1 . 2]" 1
1283 1 84 ILE MG 1 85 THR HA . . 5.470 3.463 3.123 3.931 . 0 0 "[ . 1 . 2]" 1
1284 1 85 THR H 1 85 THR HB . . 3.890 3.773 3.649 3.936 0.046 10 0 "[ . 1 . 2]" 1
1285 1 85 THR H 1 85 THR MG . . 3.860 3.142 2.500 3.499 . 0 0 "[ . 1 . 2]" 1
1286 1 85 THR H 1 86 ALA H . . 5.410 4.231 3.860 4.405 . 0 0 "[ . 1 . 2]" 1
1287 1 85 THR HA 1 85 THR MG . . 3.230 2.411 2.217 3.197 . 0 0 "[ . 1 . 2]" 1
1288 1 85 THR HA 1 86 ALA H . . 3.040 2.247 2.024 2.426 . 0 0 "[ . 1 . 2]" 1
1289 1 85 THR HA 1 86 ALA MB . . 4.350 3.927 3.682 4.078 . 0 0 "[ . 1 . 2]" 1
1290 1 85 THR HB 1 86 ALA H . . 3.520 3.049 2.577 3.604 0.084 3 0 "[ . 1 . 2]" 1
1291 1 86 ALA H 1 86 ALA MB . . 3.470 2.480 2.193 2.670 . 0 0 "[ . 1 . 2]" 1
1292 1 86 ALA H 1 87 ALA H . . 5.170 4.416 4.080 4.597 . 0 0 "[ . 1 . 2]" 1
1293 1 86 ALA H 1 87 ALA MB . . 5.500 4.893 4.299 5.316 . 0 0 "[ . 1 . 2]" 1
1294 1 86 ALA HA 1 87 ALA H . . 2.920 2.435 2.202 2.625 . 0 0 "[ . 1 . 2]" 1
1295 1 86 ALA HA 1 87 ALA HA . . 5.100 4.616 4.512 4.714 . 0 0 "[ . 1 . 2]" 1
1296 1 86 ALA HA 1 87 ALA MB . . 4.310 4.047 3.627 4.266 . 0 0 "[ . 1 . 2]" 1
1297 1 86 ALA MB 1 87 ALA H . . 3.350 2.462 2.137 3.291 . 0 0 "[ . 1 . 2]" 1
1298 1 86 ALA MB 1 87 ALA HA . . 5.060 3.833 3.496 4.316 . 0 0 "[ . 1 . 2]" 1
1299 1 87 ALA H 1 87 ALA MB . . 3.190 2.698 2.365 2.837 . 0 0 "[ . 1 . 2]" 1
1300 1 87 ALA HA 1 88 TYR H . . 2.850 2.352 2.186 2.937 0.087 13 0 "[ . 1 . 2]" 1
1301 1 87 ALA HA 1 88 TYR HB3 . . 4.480 5.751 5.574 5.892 1.412 13 20 [************+******-] 1
1302 1 87 ALA HA 1 88 TYR QD . . 4.700 3.243 2.957 3.557 . 0 0 "[ . 1 . 2]" 1
1303 1 87 ALA MB 1 88 TYR H . . 3.790 2.771 2.479 3.701 . 0 0 "[ . 1 . 2]" 1
1304 1 87 ALA MB 1 88 TYR HB3 . . 5.500 5.429 5.173 5.690 0.190 13 0 "[ . 1 . 2]" 1
1305 1 87 ALA MB 1 88 TYR QD . . 5.500 4.355 4.055 4.623 . 0 0 "[ . 1 . 2]" 1
1306 1 88 TYR H 1 88 TYR HB3 . . 3.460 3.563 3.399 3.924 0.464 13 0 "[ . 1 . 2]" 1
1307 1 88 TYR H 1 88 TYR QD . . 3.550 2.280 1.971 2.705 . 0 0 "[ . 1 . 2]" 1
1308 1 88 TYR H 1 88 TYR QE . . 4.640 4.580 4.320 4.710 0.070 10 0 "[ . 1 . 2]" 1
1309 1 88 TYR H 1 89 VAL QG . . 5.500 4.956 4.560 5.092 . 0 0 "[ . 1 . 2]" 1
1310 1 88 TYR HA 1 88 TYR QD . . 3.690 3.084 2.812 3.194 . 0 0 "[ . 1 . 2]" 1
1311 1 88 TYR HA 1 89 VAL H . . 3.190 2.427 2.208 2.635 . 0 0 "[ . 1 . 2]" 1
1312 1 88 TYR HB3 1 89 VAL H . . 4.120 2.707 2.207 3.114 . 0 0 "[ . 1 . 2]" 1
1313 1 88 TYR QD 1 89 VAL H . . 4.370 3.918 3.481 4.430 0.060 12 0 "[ . 1 . 2]" 1
1314 1 89 VAL H 1 89 VAL HB . . 3.650 3.183 2.241 3.728 0.078 19 0 "[ . 1 . 2]" 1
1315 1 89 VAL H 1 89 VAL QG . . 3.510 2.323 1.918 3.138 . 0 0 "[ . 1 . 2]" 1
1316 1 89 VAL H 1 94 TYR QD . . 5.500 5.571 5.457 5.612 0.112 11 0 "[ . 1 . 2]" 1
1317 1 89 VAL HA 1 89 VAL QG . . 2.910 2.339 2.119 2.518 . 0 0 "[ . 1 . 2]" 1
1318 1 89 VAL HA 1 90 PRO HD3 . . 3.480 2.420 2.300 2.627 . 0 0 "[ . 1 . 2]" 1
1319 1 89 VAL HB 1 90 PRO HD3 . . 4.790 4.111 3.277 5.265 0.475 13 0 "[ . 1 . 2]" 1
1320 1 89 VAL HB 1 94 TYR H . . 5.310 5.052 4.565 5.402 0.092 20 0 "[ . 1 . 2]" 1
1321 1 89 VAL HB 1 94 TYR HB3 . . 5.250 4.872 4.275 5.320 0.070 3 0 "[ . 1 . 2]" 1
1322 1 89 VAL HB 1 94 TYR QD . . 4.060 3.085 2.473 3.990 . 0 0 "[ . 1 . 2]" 1
1323 1 89 VAL QG 1 90 PRO HD3 . . 3.420 3.625 3.279 3.828 0.408 10 0 "[ . 1 . 2]" 1
1324 1 89 VAL QG 1 94 TYR H . . 3.710 3.302 2.844 3.676 . 0 0 "[ . 1 . 2]" 1
1325 1 89 VAL QG 1 94 TYR HA . . 4.050 3.600 2.659 4.047 . 0 0 "[ . 1 . 2]" 1
1326 1 89 VAL QG 1 94 TYR HB3 . . 3.980 3.045 2.501 3.542 . 0 0 "[ . 1 . 2]" 1
1327 1 89 VAL QG 1 94 TYR QD . . 3.690 2.231 2.043 2.962 . 0 0 "[ . 1 . 2]" 1
1328 1 90 PRO HA 1 91 LEU H . . 2.980 2.185 2.102 2.269 . 0 0 "[ . 1 . 2]" 1
1329 1 90 PRO HA 1 92 PRO HD3 . . 5.190 4.860 4.471 5.158 . 0 0 "[ . 1 . 2]" 1
1330 1 90 PRO HA 1 93 THR H . . 5.500 4.726 4.404 4.990 . 0 0 "[ . 1 . 2]" 1
1331 1 90 PRO HD3 1 93 THR HB . . 3.950 4.947 4.747 5.216 1.266 5 20 [****+**************-] 1
1332 1 91 LEU H 1 91 LEU QD . . 4.300 3.562 3.121 3.764 . 0 0 "[ . 1 . 2]" 1
1333 1 91 LEU H 1 92 PRO HD3 . . 3.740 3.421 3.075 3.710 . 0 0 "[ . 1 . 2]" 1
1334 1 91 LEU H 1 93 THR H . . 5.120 4.371 4.177 4.621 . 0 0 "[ . 1 . 2]" 1
1335 1 91 LEU H 1 94 TYR H . . 5.500 4.769 4.591 4.998 . 0 0 "[ . 1 . 2]" 1
1336 1 91 LEU H 1 94 TYR HB3 . . 5.500 5.172 4.627 5.503 0.003 4 0 "[ . 1 . 2]" 1
1337 1 91 LEU HA 1 91 LEU QD . . 3.340 2.120 1.977 2.649 . 0 0 "[ . 1 . 2]" 1
1338 1 91 LEU HA 1 93 THR H . . 4.800 4.110 3.744 4.528 . 0 0 "[ . 1 . 2]" 1
1339 1 91 LEU HA 1 94 TYR HB3 . . 3.810 2.697 2.238 3.181 . 0 0 "[ . 1 . 2]" 1
1340 1 91 LEU HA 1 95 HIS H . . 4.370 3.987 3.484 4.438 0.068 10 0 "[ . 1 . 2]" 1
1341 1 91 LEU QD 1 92 PRO HD3 . . 5.080 3.759 3.363 4.185 . 0 0 "[ . 1 . 2]" 1
1342 1 91 LEU QD 1 94 TYR H . . 5.500 4.520 4.067 5.127 . 0 0 "[ . 1 . 2]" 1
1343 1 91 LEU QD 1 94 TYR HB3 . . 4.390 3.098 2.239 3.880 . 0 0 "[ . 1 . 2]" 1
1344 1 91 LEU QD 1 94 TYR QD . . 5.500 3.725 2.240 4.574 . 0 0 "[ . 1 . 2]" 1
1345 1 92 PRO HA 1 95 HIS H . . 4.330 3.757 3.196 4.222 . 0 0 "[ . 1 . 2]" 1
1346 1 92 PRO HB3 1 93 THR H . . 3.820 4.428 4.259 4.573 0.753 12 17 "[***-*****1 +***** **]" 1
1347 1 92 PRO HB3 1 93 THR HA . . 5.060 5.723 5.497 5.876 0.816 3 17 "[**+*-***** * **** **]" 1
1348 1 92 PRO HD3 1 93 THR H . . 4.460 4.125 3.942 4.278 . 0 0 "[ . 1 . 2]" 1
1349 1 92 PRO HG3 1 93 THR H . . 4.340 4.349 3.935 4.676 0.336 3 0 "[ . 1 . 2]" 1
1350 1 93 THR H 1 93 THR HB . . 3.340 2.691 2.415 2.915 . 0 0 "[ . 1 . 2]" 1
1351 1 93 THR H 1 93 THR MG . . 4.030 3.803 3.619 3.954 . 0 0 "[ . 1 . 2]" 1
1352 1 93 THR H 1 94 TYR H . . 3.390 2.242 2.008 2.432 . 0 0 "[ . 1 . 2]" 1
1353 1 93 THR H 1 94 TYR HA . . 4.840 4.857 4.683 4.931 0.091 4 0 "[ . 1 . 2]" 1
1354 1 93 THR H 1 94 TYR HB3 . . 5.150 4.469 3.992 4.785 . 0 0 "[ . 1 . 2]" 1
1355 1 93 THR H 1 95 HIS H . . 4.640 3.927 3.505 4.260 . 0 0 "[ . 1 . 2]" 1
1356 1 93 THR H 1 96 ASN H . . 5.500 4.724 4.467 5.027 . 0 0 "[ . 1 . 2]" 1
1357 1 93 THR HA 1 93 THR MG . . 3.220 2.296 2.164 2.479 . 0 0 "[ . 1 . 2]" 1
1358 1 93 THR HA 1 94 TYR HA . . 4.880 4.815 4.723 4.931 0.051 17 0 "[ . 1 . 2]" 1
1359 1 93 THR HA 1 95 HIS H . . 5.500 4.425 4.013 4.756 . 0 0 "[ . 1 . 2]" 1
1360 1 93 THR HA 1 96 ASN H . . 4.290 3.300 2.833 3.768 . 0 0 "[ . 1 . 2]" 1
1361 1 93 THR HA 1 96 ASN HB3 . . 3.900 3.125 2.406 3.963 0.063 3 0 "[ . 1 . 2]" 1
1362 1 93 THR HA 1 96 ASN QD . . 5.500 5.015 4.112 5.586 0.086 3 0 "[ . 1 . 2]" 1
1363 1 93 THR HA 1 97 LEU H . . 5.030 4.511 3.886 5.031 0.001 14 0 "[ . 1 . 2]" 1
1364 1 93 THR HA 1 97 LEU QD . . 5.430 3.959 3.536 4.858 . 0 0 "[ . 1 . 2]" 1
1365 1 93 THR HB 1 94 TYR H . . 3.460 2.815 2.371 3.103 . 0 0 "[ . 1 . 2]" 1
1366 1 93 THR HB 1 94 TYR HA . . 4.710 4.264 3.801 4.580 . 0 0 "[ . 1 . 2]" 1
1367 1 93 THR MG 1 94 TYR H . . 4.040 3.935 3.487 4.140 0.100 4 0 "[ . 1 . 2]" 1
1368 1 93 THR MG 1 94 TYR HA . . 4.570 4.219 3.536 4.613 0.043 15 0 "[ . 1 . 2]" 1
1369 1 93 THR MG 1 96 ASN H . . 5.080 4.515 4.143 4.930 . 0 0 "[ . 1 . 2]" 1
1370 1 93 THR MG 1 96 ASN HB3 . . 4.420 3.462 2.888 4.190 . 0 0 "[ . 1 . 2]" 1
1371 1 93 THR MG 1 97 LEU QD . . 3.480 2.485 2.015 3.503 0.023 17 0 "[ . 1 . 2]" 1
1372 1 94 TYR H 1 94 TYR HB3 . . 3.520 2.614 2.435 2.802 . 0 0 "[ . 1 . 2]" 1
1373 1 94 TYR H 1 94 TYR QD . . 4.530 4.211 4.104 4.305 . 0 0 "[ . 1 . 2]" 1
1374 1 94 TYR H 1 95 HIS H . . 3.560 2.902 2.664 3.125 . 0 0 "[ . 1 . 2]" 1
1375 1 94 TYR H 1 96 ASN H . . 5.260 4.204 3.959 4.453 . 0 0 "[ . 1 . 2]" 1
1376 1 94 TYR HA 1 94 TYR QD . . 4.100 3.001 2.124 3.252 . 0 0 "[ . 1 . 2]" 1
1377 1 94 TYR HA 1 97 LEU H . . 4.160 3.380 3.132 3.575 . 0 0 "[ . 1 . 2]" 1
1378 1 94 TYR HA 1 97 LEU HB3 . . 3.960 4.369 3.899 4.514 0.554 11 12 "[ * .*** *+-**** * 2]" 1
1379 1 94 TYR HA 1 97 LEU QD . . 3.900 3.268 2.247 3.901 0.001 8 0 "[ . 1 . 2]" 1
1380 1 94 TYR HA 1 98 PHE H . . 4.300 4.116 3.795 4.364 0.064 17 0 "[ . 1 . 2]" 1
1381 1 94 TYR HA 1 98 PHE QE . . 5.270 4.379 3.822 5.066 . 0 0 "[ . 1 . 2]" 1
1382 1 94 TYR HB3 1 95 HIS H . . 2.990 2.623 2.397 2.815 . 0 0 "[ . 1 . 2]" 1
1383 1 94 TYR HB3 1 97 LEU H . . 5.500 5.493 5.364 5.568 0.068 16 0 "[ . 1 . 2]" 1
1384 1 94 TYR QD 1 95 HIS H . . 4.660 3.529 3.100 4.193 . 0 0 "[ . 1 . 2]" 1
1385 1 94 TYR QD 1 95 HIS HA . . 4.770 3.238 2.719 4.718 . 0 0 "[ . 1 . 2]" 1
1386 1 94 TYR QD 1 98 PHE HB3 . . 5.500 4.787 3.815 5.340 . 0 0 "[ . 1 . 2]" 1
1387 1 95 HIS H 1 96 ASN H . . 3.480 2.770 2.563 2.975 . 0 0 "[ . 1 . 2]" 1
1388 1 95 HIS H 1 97 LEU H . . 5.260 4.268 4.097 4.426 . 0 0 "[ . 1 . 2]" 1
1389 1 95 HIS H 1 98 PHE H . . 5.500 4.798 4.534 5.048 . 0 0 "[ . 1 . 2]" 1
1390 1 95 HIS HA 1 97 LEU H . . 5.090 4.218 3.892 4.568 . 0 0 "[ . 1 . 2]" 1
1391 1 95 HIS HA 1 98 PHE H . . 4.260 3.353 2.954 3.722 . 0 0 "[ . 1 . 2]" 1
1392 1 96 ASN H 1 96 ASN HB3 . . 3.020 2.772 2.511 3.105 0.085 3 0 "[ . 1 . 2]" 1
1393 1 96 ASN H 1 97 LEU HB3 . . 5.110 6.056 5.748 6.305 1.195 4 20 [-**+****************] 1
1394 1 96 ASN H 1 98 PHE H . . 4.700 4.061 3.668 4.306 . 0 0 "[ . 1 . 2]" 1
1395 1 96 ASN HB3 1 97 LEU H . . 3.840 2.882 2.601 3.344 . 0 0 "[ . 1 . 2]" 1
1396 1 96 ASN HB3 1 97 LEU HA . . 4.940 4.279 4.077 4.619 . 0 0 "[ . 1 . 2]" 1
1397 1 96 ASN HB3 1 97 LEU HB3 . . 5.500 5.768 5.607 6.128 0.628 10 1 "[ . + . 2]" 1
1398 1 96 ASN HB3 1 97 LEU QD . . 4.450 2.769 2.359 3.367 . 0 0 "[ . 1 . 2]" 1
1399 1 96 ASN QD 1 97 LEU H . . 5.130 4.408 3.696 5.202 0.072 20 0 "[ . 1 . 2]" 1
1400 1 96 ASN QD 1 97 LEU QD . . 5.500 3.540 2.347 5.404 . 0 0 "[ . 1 . 2]" 1
1401 1 97 LEU H 1 97 LEU HB3 . . 3.450 3.517 3.262 3.661 0.211 2 0 "[ . 1 . 2]" 1
1402 1 97 LEU H 1 97 LEU QD . . 4.200 2.652 2.276 3.004 . 0 0 "[ . 1 . 2]" 1
1403 1 97 LEU H 1 97 LEU HG . . 4.150 3.803 2.205 4.219 0.069 17 0 "[ . 1 . 2]" 1
1404 1 97 LEU H 1 98 PHE H . . 3.250 2.434 2.149 2.657 . 0 0 "[ . 1 . 2]" 1
1405 1 97 LEU HA 1 97 LEU QD . . 3.130 2.369 1.935 2.845 . 0 0 "[ . 1 . 2]" 1
1406 1 97 LEU HA 1 97 LEU HG . . 3.750 2.952 2.218 3.760 0.010 3 0 "[ . 1 . 2]" 1
1407 1 97 LEU HB3 1 98 PHE H . . 3.590 3.445 2.885 3.880 0.290 9 0 "[ . 1 . 2]" 1
1408 1 97 LEU HB3 1 98 PHE QE . . 4.920 3.180 2.652 3.619 . 0 0 "[ . 1 . 2]" 1
1409 1 97 LEU HB3 1 98 PHE HZ . . 5.470 4.254 3.430 5.162 . 0 0 "[ . 1 . 2]" 1
1410 1 97 LEU QD 1 98 PHE H . . 5.070 4.036 3.908 4.170 . 0 0 "[ . 1 . 2]" 1
1411 1 97 LEU QD 1 98 PHE QE . . 4.910 3.156 2.480 4.423 . 0 0 "[ . 1 . 2]" 1
1412 1 97 LEU HG 1 98 PHE H . . 5.130 4.954 3.898 5.199 0.069 1 0 "[ . 1 . 2]" 1
1413 1 98 PHE H 1 98 PHE QE . . 5.500 4.951 4.794 5.220 . 0 0 "[ . 1 . 2]" 1
1414 1 98 PHE H 1 99 PRO HA . . 4.620 4.451 4.239 4.691 0.071 2 0 "[ . 1 . 2]" 1
1415 1 98 PHE H 1 99 PRO HD3 . . 4.770 3.326 2.958 3.893 . 0 0 "[ . 1 . 2]" 1
1416 1 98 PHE H 1 100 ASP H . . 5.500 5.253 4.896 5.576 0.076 9 0 "[ . 1 . 2]" 1
1417 1 98 PHE H 1 101 SER H . . 5.500 5.399 5.094 5.581 0.081 1 0 "[ . 1 . 2]" 1
1418 1 98 PHE H 1 102 MET ME . . 5.500 5.178 4.458 5.549 0.049 3 0 "[ . 1 . 2]" 1
1419 1 98 PHE HA 1 100 ASP H . . 4.040 3.338 2.994 3.837 . 0 0 "[ . 1 . 2]" 1
1420 1 98 PHE HA 1 101 SER H . . 3.790 3.804 3.474 3.873 0.083 20 0 "[ . 1 . 2]" 1
1421 1 98 PHE HB3 1 101 SER H . . 4.890 2.856 2.408 3.139 . 0 0 "[ . 1 . 2]" 1
1422 1 98 PHE HB3 1 101 SER HB3 . . 4.800 2.817 2.103 4.463 . 0 0 "[ . 1 . 2]" 1
1423 1 99 PRO HA 1 101 SER H . . 5.070 4.346 3.914 5.106 0.036 3 0 "[ . 1 . 2]" 1
1424 1 99 PRO HA 1 102 MET H . . 4.360 4.187 3.777 4.414 0.054 20 0 "[ . 1 . 2]" 1
1425 1 99 PRO HA 1 102 MET HB3 . . 5.090 4.235 3.644 5.158 0.068 19 0 "[ . 1 . 2]" 1
1426 1 99 PRO HA 1 102 MET ME . . 3.850 1.959 1.859 2.145 . 0 0 "[ . 1 . 2]" 1
1427 1 99 PRO HA 1 102 MET HG3 . . 5.400 5.488 5.273 5.804 0.404 12 0 "[ . 1 . 2]" 1
1428 1 99 PRO HB3 1 100 ASP H . . 4.140 4.296 3.945 4.546 0.406 20 0 "[ . 1 . 2]" 1
1429 1 99 PRO HD3 1 100 ASP H . . 4.090 3.949 3.810 4.127 0.037 20 0 "[ . 1 . 2]" 1
1430 1 99 PRO HG3 1 100 ASP H . . 4.110 4.220 3.648 4.584 0.474 20 0 "[ . 1 . 2]" 1
1431 1 100 ASP H 1 100 ASP HB3 . . 3.480 3.071 2.285 3.591 0.111 12 0 "[ . 1 . 2]" 1
1432 1 100 ASP H 1 101 SER H . . 3.240 2.471 2.083 3.087 . 0 0 "[ . 1 . 2]" 1
1433 1 100 ASP H 1 101 SER HA . . 5.500 5.056 4.743 5.568 0.068 11 0 "[ . 1 . 2]" 1
1434 1 100 ASP H 1 102 MET H . . 4.550 4.157 3.312 4.601 0.051 19 0 "[ . 1 . 2]" 1
1435 1 100 ASP H 1 102 MET ME . . 4.030 4.132 4.108 4.149 0.119 8 0 "[ . 1 . 2]" 1
1436 1 101 SER H 1 101 SER HB3 . . 3.970 2.817 2.310 3.744 . 0 0 "[ . 1 . 2]" 1
1437 1 101 SER H 1 102 MET H . . 3.250 2.876 2.481 3.088 . 0 0 "[ . 1 . 2]" 1
1438 1 101 SER H 1 102 MET HA . . 5.460 5.368 4.759 5.536 0.076 7 0 "[ . 1 . 2]" 1
1439 1 101 SER H 1 103 THR H . . 5.500 4.549 4.172 4.889 . 0 0 "[ . 1 . 2]" 1
1440 1 101 SER HA 1 102 MET HA . . 5.490 4.780 4.648 4.934 . 0 0 "[ . 1 . 2]" 1
1441 1 101 SER HA 1 103 THR H . . 5.220 3.784 3.466 4.156 . 0 0 "[ . 1 . 2]" 1
1442 1 101 SER HA 1 104 ALA H . . 4.010 3.314 2.923 3.783 . 0 0 "[ . 1 . 2]" 1
1443 1 101 SER HA 1 104 ALA MB . . 3.480 2.619 2.171 3.136 . 0 0 "[ . 1 . 2]" 1
1444 1 101 SER HB3 1 104 ALA MB . . 4.970 4.218 3.330 4.932 . 0 0 "[ . 1 . 2]" 1
1445 1 102 MET H 1 102 MET HB3 . . 3.250 2.606 2.467 2.784 . 0 0 "[ . 1 . 2]" 1
1446 1 102 MET H 1 102 MET ME . . 4.520 3.176 2.553 3.742 . 0 0 "[ . 1 . 2]" 1
1447 1 102 MET H 1 102 MET HG3 . . 4.260 3.421 3.152 3.821 . 0 0 "[ . 1 . 2]" 1
1448 1 102 MET H 1 103 THR MG . . 5.450 3.987 3.431 4.449 . 0 0 "[ . 1 . 2]" 1
1449 1 102 MET H 1 104 ALA H . . 4.580 4.098 3.868 4.445 . 0 0 "[ . 1 . 2]" 1
1450 1 102 MET HA 1 102 MET ME . . 4.770 4.323 4.006 4.654 . 0 0 "[ . 1 . 2]" 1
1451 1 102 MET HA 1 102 MET HG3 . . 3.610 3.714 3.665 3.923 0.313 19 0 "[ . 1 . 2]" 1
1452 1 102 MET HA 1 103 THR HA . . 4.940 4.606 4.514 4.736 . 0 0 "[ . 1 . 2]" 1
1453 1 102 MET HA 1 103 THR MG . . 5.260 4.613 4.327 4.915 . 0 0 "[ . 1 . 2]" 1
1454 1 102 MET HA 1 104 ALA H . . 4.930 4.089 3.646 4.723 . 0 0 "[ . 1 . 2]" 1
1455 1 102 MET HB3 1 103 THR H . . 4.120 4.172 4.012 4.208 0.088 19 0 "[ . 1 . 2]" 1
1456 1 102 MET HB3 1 103 THR MG . . 5.430 4.549 4.273 4.704 . 0 0 "[ . 1 . 2]" 1
1457 1 102 MET ME 1 102 MET HG3 . . 3.680 3.364 3.267 3.437 . 0 0 "[ . 1 . 2]" 1
1458 1 102 MET ME 1 103 THR MG . . 4.420 4.255 3.421 4.556 0.136 16 0 "[ . 1 . 2]" 1
1459 1 102 MET HG3 1 103 THR MG . . 4.620 2.123 1.955 2.548 . 0 0 "[ . 1 . 2]" 1
1460 1 103 THR H 1 103 THR MG . . 3.790 2.562 2.175 2.978 . 0 0 "[ . 1 . 2]" 1
1461 1 103 THR H 1 104 ALA H . . 3.260 2.461 2.063 2.767 . 0 0 "[ . 1 . 2]" 1
1462 1 103 THR H 1 104 ALA MB . . 4.820 4.008 3.737 4.261 . 0 0 "[ . 1 . 2]" 1
1463 1 103 THR HA 1 103 THR MG . . 3.010 2.399 2.217 3.140 0.130 16 0 "[ . 1 . 2]" 1
1464 1 103 THR HA 1 104 ALA H . . 3.290 3.253 2.822 3.368 0.078 14 0 "[ . 1 . 2]" 1
1465 1 103 THR HA 1 104 ALA MB . . 5.140 4.807 4.464 4.943 . 0 0 "[ . 1 . 2]" 1
1466 1 103 THR MG 1 104 ALA H . . 4.700 4.240 3.747 4.458 . 0 0 "[ . 1 . 2]" 1
1467 1 104 ALA H 1 104 ALA MB . . 3.010 2.217 2.153 2.266 . 0 0 "[ . 1 . 2]" 1
1468 1 104 ALA H 1 105 THR H . . 4.750 4.335 4.118 4.544 . 0 0 "[ . 1 . 2]" 1
1469 1 104 ALA H 1 106 GLN H . . 5.500 5.535 5.275 5.587 0.087 4 0 "[ . 1 . 2]" 1
1470 1 104 ALA HA 1 105 THR H . . 2.850 2.204 2.155 2.341 . 0 0 "[ . 1 . 2]" 1
1471 1 104 ALA HA 1 105 THR MG . . 4.680 4.030 3.544 4.673 . 0 0 "[ . 1 . 2]" 1
1472 1 104 ALA HA 1 106 GLN H . . 3.800 3.401 3.062 3.823 0.023 19 0 "[ . 1 . 2]" 1
1473 1 104 ALA MB 1 105 THR H . . 3.820 3.443 3.112 3.696 . 0 0 "[ . 1 . 2]" 1
1474 1 104 ALA MB 1 105 THR HA . . 5.500 4.328 3.972 4.571 . 0 0 "[ . 1 . 2]" 1
1475 1 104 ALA MB 1 106 GLN H . . 4.300 3.169 2.771 3.601 . 0 0 "[ . 1 . 2]" 1
1476 1 105 THR H 1 105 THR MG . . 3.870 2.553 1.899 3.380 . 0 0 "[ . 1 . 2]" 1
1477 1 105 THR H 1 106 GLN H . . 2.850 2.440 1.839 2.910 0.060 16 0 "[ . 1 . 2]" 1
1478 1 105 THR HA 1 105 THR HB . . 2.900 2.505 2.244 2.758 . 0 0 "[ . 1 . 2]" 1
1479 1 105 THR HA 1 105 THR MG . . 2.970 2.648 2.126 3.107 0.137 11 0 "[ . 1 . 2]" 1
1480 1 105 THR HB 1 106 GLN H . . 4.460 4.341 3.808 4.538 0.078 19 0 "[ . 1 . 2]" 1
1481 1 105 THR MG 1 106 GLN H . . 4.910 3.884 2.811 4.443 . 0 0 "[ . 1 . 2]" 1
1482 1 106 GLN H 1 107 LEU H . . 4.780 4.291 3.599 4.566 . 0 0 "[ . 1 . 2]" 1
1483 1 106 GLN HA 1 107 LEU H . . 2.700 2.140 1.970 2.295 . 0 0 "[ . 1 . 2]" 1
1484 1 107 LEU H 1 107 LEU HB3 . . 3.720 3.546 3.411 3.616 . 0 0 "[ . 1 . 2]" 1
1485 1 107 LEU H 1 107 LEU QD . . 3.740 3.063 2.002 3.537 . 0 0 "[ . 1 . 2]" 1
1486 1 107 LEU H 1 107 LEU HG . . 3.140 3.003 2.488 3.239 0.099 3 0 "[ . 1 . 2]" 1
1487 1 107 LEU HA 1 107 LEU QD . . 2.920 2.182 2.048 2.411 . 0 0 "[ . 1 . 2]" 1
1488 1 107 LEU HA 1 107 LEU HG . . 3.580 3.032 2.555 3.663 0.083 2 0 "[ . 1 . 2]" 1
1489 1 107 LEU HA 1 108 LEU H . . 2.870 2.226 2.046 2.573 . 0 0 "[ . 1 . 2]" 1
1490 1 107 LEU QD 1 108 LEU H . . 3.880 3.205 2.907 3.819 . 0 0 "[ . 1 . 2]" 1
1491 1 108 LEU H 1 108 LEU HB3 . . 3.580 3.606 3.482 3.659 0.079 9 0 "[ . 1 . 2]" 1
1492 1 108 LEU H 1 108 LEU MD1 . . 4.090 3.867 3.608 4.157 0.067 5 0 "[ . 1 . 2]" 1
1493 1 108 LEU H 1 108 LEU MD2 . . 3.740 3.463 1.830 3.828 0.088 15 0 "[ . 1 . 2]" 1
1494 1 108 LEU H 1 108 LEU HG . . 3.360 2.734 2.480 3.439 0.079 4 0 "[ . 1 . 2]" 1
1495 1 108 LEU H 1 109 VAL H . . 4.720 4.543 4.435 4.636 . 0 0 "[ . 1 . 2]" 1
1496 1 108 LEU HA 1 108 LEU MD1 . . 4.030 3.772 2.520 3.942 . 0 0 "[ . 1 . 2]" 1
1497 1 108 LEU HA 1 108 LEU MD2 . . 2.870 2.179 2.048 2.704 . 0 0 "[ . 1 . 2]" 1
1498 1 108 LEU HA 1 108 LEU HG . . 3.950 3.252 2.982 3.900 . 0 0 "[ . 1 . 2]" 1
1499 1 108 LEU HA 1 109 VAL H . . 2.810 2.370 2.202 2.540 . 0 0 "[ . 1 . 2]" 1
1500 1 108 LEU HA 1 109 VAL QG . . 3.740 3.060 2.808 3.305 . 0 0 "[ . 1 . 2]" 1
1501 1 108 LEU HB3 1 108 LEU MD1 . . 3.200 2.338 2.174 2.592 . 0 0 "[ . 1 . 2]" 1
1502 1 108 LEU HB3 1 109 VAL H . . 3.940 2.537 2.291 2.975 . 0 0 "[ . 1 . 2]" 1
1503 1 108 LEU HB3 1 109 VAL HA . . 4.980 4.463 4.257 4.691 . 0 0 "[ . 1 . 2]" 1
1504 1 108 LEU MD1 1 109 VAL H . . 5.140 4.346 3.528 4.663 . 0 0 "[ . 1 . 2]" 1
1505 1 108 LEU MD2 1 109 VAL H . . 3.600 3.514 3.046 4.468 0.868 4 1 "[ +. 1 . 2]" 1
1506 1 108 LEU HG 1 109 VAL H . . 5.180 4.959 4.783 5.129 . 0 0 "[ . 1 . 2]" 1
1507 1 109 VAL H 1 109 VAL HB . . 3.760 3.796 3.725 3.835 0.075 7 0 "[ . 1 . 2]" 1
1508 1 109 VAL H 1 109 VAL QG . . 3.050 2.327 2.170 2.437 . 0 0 "[ . 1 . 2]" 1
1509 1 109 VAL H 1 110 PRO HD3 . . 4.870 4.917 4.792 5.109 0.239 9 0 "[ . 1 . 2]" 1
1510 1 109 VAL HA 1 109 VAL QG . . 3.240 2.200 2.140 2.305 . 0 0 "[ . 1 . 2]" 1
1511 1 109 VAL HA 1 110 PRO HD3 . . 2.900 2.387 2.187 2.597 . 0 0 "[ . 1 . 2]" 1
1512 1 109 VAL QG 1 110 PRO HD3 . . 3.950 3.447 3.106 3.673 . 0 0 "[ . 1 . 2]" 1
1513 1 110 PRO HA 1 111 SER H . . 2.880 2.378 2.167 2.521 . 0 0 "[ . 1 . 2]" 1
1514 1 110 PRO HG3 1 111 SER H . . 5.320 5.054 4.847 5.380 0.060 20 0 "[ . 1 . 2]" 1
1515 1 111 SER H 1 111 SER HB3 . . 3.560 3.233 2.268 3.645 0.085 18 0 "[ . 1 . 2]" 1
1516 1 111 SER H 1 112 ARG H . . 3.330 2.066 1.753 2.641 . 0 0 "[ . 1 . 2]" 1
1517 1 111 SER H 1 112 ARG HB3 . . 5.460 5.006 4.613 5.509 0.049 8 0 "[ . 1 . 2]" 1
1518 1 111 SER H 1 113 ARG H . . 5.500 5.175 3.285 5.570 0.070 6 0 "[ . 1 . 2]" 1
1519 1 111 SER HA 1 112 ARG H . . 3.460 3.540 3.522 3.552 0.092 17 0 "[ . 1 . 2]" 1
1520 1 111 SER HB3 1 112 ARG H . . 4.070 3.282 2.131 3.950 . 0 0 "[ . 1 . 2]" 1
1521 1 111 SER HB3 1 112 ARG HB3 . . 5.480 4.175 3.562 4.991 . 0 0 "[ . 1 . 2]" 1
1522 1 112 ARG H 1 112 ARG HB3 . . 3.540 3.168 3.022 3.405 . 0 0 "[ . 1 . 2]" 1
1523 1 112 ARG H 1 113 ARG H . . 3.740 3.592 2.148 3.820 0.080 17 0 "[ . 1 . 2]" 1
1524 1 112 ARG HA 1 113 ARG H . . 2.880 2.209 1.989 2.957 0.077 8 0 "[ . 1 . 2]" 1
1525 1 112 ARG HB3 1 113 ARG H . . 4.610 4.350 3.983 4.598 . 0 0 "[ . 1 . 2]" 1
1526 1 113 ARG H 1 113 ARG HG3 . . 3.650 3.525 2.418 4.758 1.108 20 5 "[ .- * **. +]" 1
1527 1 113 ARG HA 1 113 ARG HG3 . . 3.770 3.797 2.894 4.296 0.526 6 2 "[ .+ 1 .- 2]" 1
stop_
save_