NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
499786 |
2kxn   |
16920 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2kxn
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 1240
_Distance_constraint_stats_list.Viol_count 352
_Distance_constraint_stats_list.Viol_total 3804.160
_Distance_constraint_stats_list.Viol_max 4.087
_Distance_constraint_stats_list.Viol_rms 0.2090
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0213
_Distance_constraint_stats_list.Viol_average_violations_only 0.9006
_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 1 A 0.000 0.000 . 0 "[ . 1 ]"
1 2 A 0.000 0.000 . 0 "[ . 1 ]"
1 3 G 0.000 0.000 . 0 "[ . 1 ]"
1 4 A 1.018 0.317 10 0 "[ . 1 ]"
1 5 A 0.018 0.010 6 0 "[ . 1 ]"
1 6 C 0.018 0.010 6 0 "[ . 1 ]"
2 39 ASN 6.326 1.907 4 4 "[- +.* 1 *]"
2 40 ARG 0.399 0.101 7 0 "[ . 1 ]"
2 41 ALA 0.399 0.101 7 0 "[ . 1 ]"
2 42 ASN 0.000 0.000 . 0 "[ . 1 ]"
2 45 PRO 0.000 0.000 . 0 "[ . 1 ]"
2 46 ASN 0.000 0.000 . 0 "[ . 1 ]"
2 47 CYS 0.000 0.000 . 0 "[ . 1 ]"
2 48 CYS 0.000 0.000 . 0 "[ . 1 ]"
2 49 LEU 0.000 0.000 . 0 "[ . 1 ]"
2 50 GLY 0.000 0.000 . 0 "[ . 1 ]"
2 51 VAL 0.000 0.000 . 0 "[ . 1 ]"
2 52 PHE 0.000 0.000 . 0 "[ . 1 ]"
2 53 GLY 0.000 0.000 . 0 "[ . 1 ]"
2 54 LEU 0.056 0.053 11 0 "[ . 1 ]"
2 55 SER 0.068 0.053 11 0 "[ . 1 ]"
2 56 LEU 0.020 0.014 11 0 "[ . 1 ]"
2 57 TYR 0.000 0.000 . 0 "[ . 1 ]"
2 58 THR 0.155 0.063 3 0 "[ . 1 ]"
2 59 THR 0.582 0.200 3 0 "[ . 1 ]"
2 60 GLU 2.577 0.702 10 2 "[ .- + ]"
2 61 ARG 0.747 0.200 3 0 "[ . 1 ]"
2 62 ASP 0.000 0.000 . 0 "[ . 1 ]"
2 63 LEU 3.070 0.702 10 2 "[ .- + ]"
2 64 ARG 0.000 0.000 . 0 "[ . 1 ]"
2 65 GLU 0.000 0.000 . 0 "[ . 1 ]"
2 66 VAL 0.460 0.460 3 0 "[ . 1 ]"
2 67 PHE 0.000 0.000 . 0 "[ . 1 ]"
2 68 SER 0.000 0.000 . 0 "[ . 1 ]"
2 69 LYS 0.004 0.004 9 0 "[ . 1 ]"
2 70 TYR 0.000 0.000 . 0 "[ . 1 ]"
2 71 GLY 0.000 0.000 . 0 "[ . 1 ]"
2 72 PRO 0.000 0.000 . 0 "[ . 1 ]"
2 73 ILE 0.000 0.000 . 0 "[ . 1 ]"
2 74 ALA 1.202 0.292 1 0 "[ . 1 ]"
2 75 ASP 0.000 0.000 . 0 "[ . 1 ]"
2 76 VAL 2.644 0.737 6 1 "[ .+ 1 ]"
2 77 SER 0.000 0.000 . 0 "[ . 1 ]"
2 78 ILE 0.737 0.737 6 1 "[ .+ 1 ]"
2 79 VAL 1.882 0.912 3 1 "[ + . 1 ]"
2 80 TYR 37.196 2.820 3 12 [**+***-*****]
2 81 ASP 97.864 4.087 9 12 [*****-**+***]
2 82 GLN 69.612 4.074 8 12 [*******+**-*]
2 83 GLN 17.147 2.221 9 9 "[* **.***+1-*]"
2 84 SER 19.136 1.259 12 9 "[* *.*****-+]"
2 85 ARG 111.110 3.929 8 12 [*******+**-*]
2 86 ARG 62.263 4.087 9 12 [***-****+***]
2 87 SER 87.134 3.300 9 12 [******-*+***]
2 88 ARG 85.398 4.074 8 10 "[ ****-*+** *]"
2 89 GLY 0.112 0.066 3 0 "[ . 1 ]"
2 90 PHE 0.991 0.912 3 1 "[ + . 1 ]"
2 91 ALA 0.012 0.012 2 0 "[ . 1 ]"
2 92 PHE 0.000 0.000 . 0 "[ . 1 ]"
2 93 VAL 3.159 0.311 10 0 "[ . 1 ]"
2 94 TYR 2.140 0.783 2 2 "[ + -. 1 ]"
2 95 PHE 1.913 0.311 10 0 "[ . 1 ]"
2 96 GLU 0.000 0.000 . 0 "[ . 1 ]"
2 97 ASN 0.165 0.087 3 0 "[ . 1 ]"
2 98 VAL 1.123 0.508 3 1 "[ + . 1 ]"
2 99 ASP 0.000 0.000 . 0 "[ . 1 ]"
2 100 ASP 0.172 0.053 3 0 "[ . 1 ]"
2 101 ALA 0.172 0.053 3 0 "[ . 1 ]"
2 102 LYS 0.958 0.508 3 1 "[ + . 1 ]"
2 103 GLU 0.000 0.000 . 0 "[ . 1 ]"
2 104 ALA 0.000 0.000 . 0 "[ . 1 ]"
2 105 LYS 0.506 0.241 11 0 "[ . 1 ]"
2 106 GLU 0.241 0.241 11 0 "[ . 1 ]"
2 107 ARG 0.000 0.000 . 0 "[ . 1 ]"
2 108 ALA 0.019 0.019 2 0 "[ . 1 ]"
2 109 ASN 0.000 0.000 . 0 "[ . 1 ]"
2 110 GLY 0.108 0.044 6 0 "[ . 1 ]"
2 111 MET 0.127 0.044 6 0 "[ . 1 ]"
2 112 GLU 0.000 0.000 . 0 "[ . 1 ]"
2 113 LEU 1.343 0.382 6 0 "[ . 1 ]"
2 114 ASP 1.088 0.120 4 0 "[ . 1 ]"
2 115 GLY 0.127 0.045 2 0 "[ . 1 ]"
2 116 ARG 0.168 0.072 4 0 "[ . 1 ]"
2 117 ARG 0.168 0.072 4 0 "[ . 1 ]"
2 118 ILE 0.000 0.000 . 0 "[ . 1 ]"
2 119 ARG 0.000 0.000 . 0 "[ . 1 ]"
2 120 VAL 0.000 0.000 . 0 "[ . 1 ]"
2 121 ASP 0.110 0.110 7 0 "[ . 1 ]"
2 122 PHE 0.154 0.154 11 0 "[ . 1 ]"
2 123 SER 0.000 0.000 . 0 "[ . 1 ]"
2 124 ILE 7.344 1.907 4 4 "[- +.* 1 *]"
2 125 THR 0.000 0.000 . 0 "[ . 1 ]"
2 126 LYS 0.000 0.000 . 0 "[ . 1 ]"
2 127 ARG 2.140 0.783 2 2 "[ + -. 1 ]"
2 128 PRO 0.000 0.000 . 0 "[ . 1 ]"
2 129 HIS 0.000 0.000 . 0 "[ . 1 ]"
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 2 74 ALA H 2 95 PHE HA 4.090 . 4.590 2.557 2.135 3.011 . 0 0 "[ . 1 ]" 1
2 2 73 ILE HA 2 74 ALA H 3.220 . 3.720 2.264 2.195 2.294 . 0 0 "[ . 1 ]" 1
3 2 74 ALA H 2 94 TYR HB3 4.730 . 5.230 4.275 4.162 4.447 . 0 0 "[ . 1 ]" 1
4 2 74 ALA H 2 96 GLU HG3 4.520 . 5.020 4.301 3.841 4.551 . 0 0 "[ . 1 ]" 1
5 2 73 ILE MD 2 74 ALA H 5.690 . 6.190 3.794 3.636 3.908 . 0 0 "[ . 1 ]" 1
6 2 73 ILE HB 2 74 ALA H 4.790 . 5.290 3.930 3.823 4.114 . 0 0 "[ . 1 ]" 1
7 2 74 ALA H 2 94 TYR H 5.030 . 5.530 4.025 3.803 4.347 . 0 0 "[ . 1 ]" 1
8 2 113 LEU HG 2 114 ASP H 4.610 . 5.110 4.091 3.734 4.677 . 0 0 "[ . 1 ]" 1
9 2 113 LEU H 2 114 ASP H 4.400 . 4.900 1.883 1.680 3.757 0.120 4 0 "[ . 1 ]" 1
10 2 114 ASP H 2 115 GLY HA2 4.880 . 5.380 4.026 3.947 4.184 . 0 0 "[ . 1 ]" 1
11 2 114 ASP H 2 114 ASP HB3 4.140 . 4.640 3.041 2.788 3.792 . 0 0 "[ . 1 ]" 1
12 2 113 LEU HB3 2 114 ASP H 4.380 . 4.880 3.104 2.721 4.423 . 0 0 "[ . 1 ]" 1
13 2 113 LEU HA 2 114 ASP H 3.340 . 3.840 3.338 2.063 3.505 . 0 0 "[ . 1 ]" 1
14 2 113 LEU HB2 2 114 ASP H 4.270 . 4.770 4.140 3.963 4.379 . 0 0 "[ . 1 ]" 1
15 2 49 LEU H 2 93 VAL MG2 5.430 . 5.930 5.336 4.899 5.788 . 0 0 "[ . 1 ]" 1
16 2 49 LEU H 2 93 VAL H 3.940 . 4.440 3.684 3.217 3.989 . 0 0 "[ . 1 ]" 1
17 2 48 CYS HA 2 49 LEU H 3.200 . 3.700 2.234 2.155 2.416 . 0 0 "[ . 1 ]" 1
18 2 48 CYS HB3 2 49 LEU H 4.450 . 4.950 3.754 2.707 4.612 . 0 0 "[ . 1 ]" 1
19 2 49 LEU H 2 49 LEU HB3 3.570 . 4.070 3.614 3.515 3.666 . 0 0 "[ . 1 ]" 1
20 2 49 LEU H 2 49 LEU HB2 4.080 . 4.580 2.408 2.211 2.521 . 0 0 "[ . 1 ]" 1
21 2 113 LEU H 2 118 ILE H 4.850 . 5.350 4.469 3.733 4.868 . 0 0 "[ . 1 ]" 1
22 2 113 LEU H 2 116 ARG H 3.920 . 4.420 3.475 3.208 3.893 . 0 0 "[ . 1 ]" 1
23 2 112 GLU HA 2 113 LEU H 3.000 . 3.500 2.130 2.102 2.155 . 0 0 "[ . 1 ]" 1
24 2 112 GLU HG2 2 113 LEU H 3.800 . 4.300 2.984 2.442 3.664 . 0 0 "[ . 1 ]" 1
25 2 113 LEU H 2 113 LEU HG 4.830 . 5.330 4.470 4.360 4.601 . 0 0 "[ . 1 ]" 1
26 2 113 LEU H 2 113 LEU HB2 3.960 . 4.460 3.326 3.226 3.425 . 0 0 "[ . 1 ]" 1
27 2 113 LEU H 2 118 ILE MG 5.160 . 5.660 3.298 2.738 3.725 . 0 0 "[ . 1 ]" 1
28 2 78 ILE H 2 80 TYR QE 5.340 . 5.840 4.792 4.566 4.859 . 0 0 "[ . 1 ]" 1
29 2 77 SER HA 2 78 ILE H 2.890 . 3.390 2.320 2.254 2.374 . 0 0 "[ . 1 ]" 1
30 2 78 ILE H 2 91 ALA HA 5.140 . 5.640 4.550 4.461 4.619 . 0 0 "[ . 1 ]" 1
31 2 78 ILE H 2 78 ILE HB 3.200 . 3.700 2.733 2.679 2.794 . 0 0 "[ . 1 ]" 1
32 2 78 ILE H 2 79 VAL H 4.760 . 5.260 4.188 3.867 4.342 . 0 0 "[ . 1 ]" 1
33 2 60 GLU HG3 2 78 ILE H 4.340 . 4.840 4.187 3.848 4.399 . 0 0 "[ . 1 ]" 1
34 2 78 ILE H 2 78 ILE HG13 3.920 . 4.420 3.067 2.889 3.284 . 0 0 "[ . 1 ]" 1
35 2 76 VAL MG1 2 78 ILE H 5.660 . 6.160 5.488 4.605 6.897 0.737 6 1 "[ .+ 1 ]" 1
36 2 78 ILE H 2 78 ILE HG12 3.860 . 4.360 3.970 3.902 4.039 . 0 0 "[ . 1 ]" 1
37 2 79 VAL H 2 91 ALA HA 3.790 . 4.290 2.727 2.518 2.976 . 0 0 "[ . 1 ]" 1
38 2 78 ILE HA 2 79 VAL H 3.250 . 3.750 2.133 2.095 2.175 . 0 0 "[ . 1 ]" 1
39 2 78 ILE HG13 2 79 VAL H 5.090 . 5.590 5.024 4.754 5.135 . 0 0 "[ . 1 ]" 1
40 2 79 VAL H 2 79 VAL HB 2.980 . 3.480 2.838 2.223 3.452 . 0 0 "[ . 1 ]" 1
41 2 78 ILE MG 2 79 VAL H 4.490 . 4.990 2.629 2.076 3.210 . 0 0 "[ . 1 ]" 1
42 2 82 GLN H 2 88 ARG QD 5.770 . 6.270 8.301 5.397 10.344 4.074 8 10 "[ -*****+** *]" 1
43 2 81 ASP QB 2 82 GLN H . . 3.820 3.023 2.565 3.122 . 0 0 "[ . 1 ]" 1
44 2 82 GLN H 2 82 GLN HB2 3.310 . 3.810 2.757 2.278 3.674 . 0 0 "[ . 1 ]" 1
45 2 82 GLN H 2 82 GLN HB3 3.210 . 3.710 3.335 3.066 3.646 . 0 0 "[ . 1 ]" 1
46 2 82 GLN H 2 88 ARG QG 5.430 . 5.930 7.162 5.092 9.199 3.269 10 10 "[ -*******+ *]" 1
47 2 82 GLN H 2 85 ARG H 5.160 . 5.660 7.255 3.682 9.589 3.929 8 8 "[* *.**+*1-*]" 1
48 2 98 VAL H 2 99 ASP H 3.670 . 4.170 2.317 1.997 2.839 . 0 0 "[ . 1 ]" 1
49 2 98 VAL H 2 100 ASP H 4.650 . 5.150 3.992 3.786 4.323 . 0 0 "[ . 1 ]" 1
50 2 98 VAL H 2 101 ALA H 5.040 . 5.540 4.365 4.295 4.452 . 0 0 "[ . 1 ]" 1
51 2 97 ASN HA 2 98 VAL H 2.920 . 3.420 2.296 2.138 2.613 . 0 0 "[ . 1 ]" 1
52 2 97 ASN HB2 2 98 VAL H 4.150 . 4.650 4.221 4.158 4.307 . 0 0 "[ . 1 ]" 1
53 2 98 VAL H 2 98 VAL HB 3.120 . 3.620 2.456 2.119 2.583 . 0 0 "[ . 1 ]" 1
54 2 98 VAL H 2 101 ALA MB 6.280 . 6.780 4.198 3.674 4.394 . 0 0 "[ . 1 ]" 1
55 2 98 VAL H 2 98 VAL MG2 3.930 . 4.430 2.547 1.956 3.652 . 0 0 "[ . 1 ]" 1
56 2 78 ILE MG 2 80 TYR H 6.360 . 6.860 4.011 1.975 4.821 . 0 0 "[ . 1 ]" 1
57 2 79 VAL H 2 80 TYR H 4.950 . 5.450 4.232 3.042 4.506 . 0 0 "[ . 1 ]" 1
58 2 79 VAL HA 2 80 TYR H 2.970 . 3.470 2.200 2.002 2.515 . 0 0 "[ . 1 ]" 1
59 2 80 TYR H 2 80 TYR QB 3.530 . 4.030 3.077 2.513 3.398 . 0 0 "[ . 1 ]" 1
60 2 79 VAL MG1 2 80 TYR H 4.590 . 5.090 3.541 2.237 4.323 . 0 0 "[ . 1 ]" 1
61 2 51 VAL HA 2 121 ASP H 4.420 . 4.920 4.394 4.275 4.463 . 0 0 "[ . 1 ]" 1
62 2 121 ASP H 2 121 ASP HB2 4.190 . 4.690 3.793 3.230 4.146 . 0 0 "[ . 1 ]" 1
63 2 76 VAL H 2 94 TYR H 5.010 . 5.510 4.733 4.249 4.946 . 0 0 "[ . 1 ]" 1
64 2 94 TYR H 2 94 TYR QD 4.090 . 4.590 2.986 2.459 3.211 . 0 0 "[ . 1 ]" 1
65 2 93 VAL HA 2 94 TYR H 3.140 . 3.640 2.271 2.191 2.320 . 0 0 "[ . 1 ]" 1
66 2 94 TYR H 2 94 TYR HB3 3.660 . 4.160 3.708 3.605 3.765 . 0 0 "[ . 1 ]" 1
67 2 75 ASP HB2 2 94 TYR H 4.390 . 4.890 4.171 3.991 4.507 . 0 0 "[ . 1 ]" 1
68 2 93 VAL HB 2 94 TYR H 4.490 . 4.990 4.016 3.810 4.348 . 0 0 "[ . 1 ]" 1
69 2 76 VAL MG1 2 94 TYR H 5.210 . 5.710 5.008 3.116 5.320 . 0 0 "[ . 1 ]" 1
70 2 73 ILE MG 2 94 TYR H 5.420 . 5.920 3.288 3.068 3.703 . 0 0 "[ . 1 ]" 1
71 2 94 TYR H 2 94 TYR QE 5.660 . 6.160 4.866 4.479 5.072 . 0 0 "[ . 1 ]" 1
72 2 74 ALA MB 2 94 TYR H 5.960 . 6.460 4.255 4.123 4.460 . 0 0 "[ . 1 ]" 1
73 2 56 LEU H 2 57 TYR H 3.810 . 4.310 3.060 2.706 3.307 . 0 0 "[ . 1 ]" 1
74 2 56 LEU H 2 57 TYR QD 5.340 . 5.840 4.195 3.363 4.897 . 0 0 "[ . 1 ]" 1
75 2 55 SER HA 2 56 LEU H 3.130 . 3.630 2.846 2.383 3.280 . 0 0 "[ . 1 ]" 1
76 2 55 SER QB 2 56 LEU H 4.230 . 4.730 3.733 3.246 3.930 . 0 0 "[ . 1 ]" 1
77 2 56 LEU H 2 56 LEU QB 3.570 . 4.070 2.514 2.093 3.290 . 0 0 "[ . 1 ]" 1
78 2 95 PHE H 2 95 PHE HB2 4.070 . 4.570 2.489 2.395 2.586 . 0 0 "[ . 1 ]" 1
79 2 95 PHE H 2 95 PHE QD 4.510 . 5.010 3.030 2.821 3.177 . 0 0 "[ . 1 ]" 1
80 2 47 CYS HA 2 95 PHE H 4.930 . 5.430 4.761 3.914 5.085 . 0 0 "[ . 1 ]" 1
81 2 95 PHE H 2 95 PHE HB3 4.170 . 4.670 3.661 3.611 3.743 . 0 0 "[ . 1 ]" 1
82 2 93 VAL MG2 2 95 PHE H 6.360 . 6.860 7.019 6.900 7.171 0.311 10 0 "[ . 1 ]" 1
83 2 47 CYS HB3 2 95 PHE H 4.970 . 5.470 4.562 3.524 5.065 . 0 0 "[ . 1 ]" 1
84 2 50 GLY H 2 51 VAL H 4.580 . 5.080 4.380 4.363 4.407 . 0 0 "[ . 1 ]" 1
85 2 51 VAL H 2 92 PHE HA 4.420 . 4.920 2.882 2.135 3.021 . 0 0 "[ . 1 ]" 1
86 2 51 VAL H 2 51 VAL HB 3.790 . 4.290 2.746 2.626 2.864 . 0 0 "[ . 1 ]" 1
87 2 51 VAL H 2 92 PHE QD 5.960 . 6.460 4.628 3.794 5.184 . 0 0 "[ . 1 ]" 1
88 2 73 ILE H 2 73 ILE MD 5.440 . 5.940 3.746 3.522 3.906 . 0 0 "[ . 1 ]" 1
89 2 73 ILE H 2 74 ALA H 4.710 . 5.210 4.461 4.417 4.529 . 0 0 "[ . 1 ]" 1
90 2 73 ILE H 2 96 GLU HG2 5.020 . 5.520 4.698 4.510 4.989 . 0 0 "[ . 1 ]" 1
91 2 72 PRO HB2 2 73 ILE H 4.010 . 4.510 2.824 2.672 3.054 . 0 0 "[ . 1 ]" 1
92 2 73 ILE H 2 73 ILE HB 3.230 . 3.730 2.653 2.605 2.742 . 0 0 "[ . 1 ]" 1
93 2 73 ILE H 2 73 ILE HG13 4.100 . 4.600 4.074 3.958 4.145 . 0 0 "[ . 1 ]" 1
94 2 73 ILE H 2 73 ILE HG12 3.890 . 4.390 2.761 2.568 2.901 . 0 0 "[ . 1 ]" 1
95 2 92 PHE QD 2 93 VAL H 5.380 . 5.880 4.014 3.748 4.424 . 0 0 "[ . 1 ]" 1
96 2 92 PHE HA 2 93 VAL H 3.300 . 3.800 2.343 2.289 2.408 . 0 0 "[ . 1 ]" 1
97 2 93 VAL H 2 93 VAL HB 3.570 . 4.070 2.792 2.732 2.837 . 0 0 "[ . 1 ]" 1
98 2 91 ALA MB 2 93 VAL H 6.150 . 6.650 5.205 5.177 5.235 . 0 0 "[ . 1 ]" 1
99 2 80 TYR QD 2 81 ASP H 5.010 . 5.510 3.536 2.865 4.433 . 0 0 "[ . 1 ]" 1
100 2 81 ASP H 2 87 SER HA 3.920 . 4.420 4.134 1.636 7.571 3.151 3 4 "[ *+ - * ]" 1
101 2 81 ASP H 2 81 ASP QB 3.360 . 3.860 2.464 2.177 2.616 . 0 0 "[ . 1 ]" 1
102 2 80 TYR QB 2 81 ASP H 3.160 . 3.660 2.307 1.825 3.092 . 0 0 "[ . 1 ]" 1
103 2 81 ASP H 2 88 ARG QG 4.470 . 4.970 5.064 3.017 8.004 3.034 10 4 "[ ** - + ]" 1
104 2 80 TYR H 2 81 ASP H 4.620 . 5.120 4.208 2.113 4.638 . 0 0 "[ . 1 ]" 1
105 2 118 ILE H 2 118 ILE HG13 3.570 . 4.070 3.250 3.032 3.403 . 0 0 "[ . 1 ]" 1
106 2 110 GLY HA3 2 118 ILE H 4.850 . 5.350 4.897 4.634 4.962 . 0 0 "[ . 1 ]" 1
107 2 110 GLY HA2 2 118 ILE H 5.000 . 5.500 3.339 3.127 3.448 . 0 0 "[ . 1 ]" 1
108 2 111 MET HG3 2 118 ILE H 5.090 . 5.590 4.415 4.133 4.861 . 0 0 "[ . 1 ]" 1
109 2 118 ILE H 2 118 ILE HB 4.080 . 4.580 3.663 3.524 3.887 . 0 0 "[ . 1 ]" 1
110 2 117 ARG HB3 2 118 ILE H 3.970 . 4.470 3.476 2.202 4.117 . 0 0 "[ . 1 ]" 1
111 2 80 TYR HA 2 88 ARG H 3.730 . 4.230 2.696 1.772 4.037 0.028 11 0 "[ . 1 ]" 1
112 2 87 SER HA 2 88 ARG H 3.250 . 3.750 2.572 2.180 3.394 . 0 0 "[ . 1 ]" 1
113 2 81 ASP QB 2 88 ARG H 4.430 . 4.930 4.602 3.300 5.712 0.782 2 2 "[ +- . 1 ]" 1
114 2 88 ARG H 2 88 ARG HB3 3.990 . 4.490 3.704 3.582 4.110 . 0 0 "[ . 1 ]" 1
115 2 88 ARG H 2 88 ARG QG 4.380 . 4.880 2.531 1.987 3.909 . 0 0 "[ . 1 ]" 1
116 2 88 ARG H 2 88 ARG HB2 3.900 . 4.400 2.619 2.409 3.396 . 0 0 "[ . 1 ]" 1
117 2 56 LEU QD 2 88 ARG H 6.530 . 7.030 5.187 4.425 5.473 . 0 0 "[ . 1 ]" 1
118 2 80 TYR QD 2 88 ARG H 4.940 . 5.440 4.177 3.847 4.409 . 0 0 "[ . 1 ]" 1
119 2 80 TYR QB 2 88 ARG H 5.200 . 5.700 3.347 1.937 4.904 . 0 0 "[ . 1 ]" 1
120 2 125 THR MG 2 126 LYS H 6.210 . 6.710 3.859 3.295 4.438 . 0 0 "[ . 1 ]" 1
121 2 126 LYS H 2 126 LYS HB2 4.070 . 4.570 3.088 2.430 3.887 . 0 0 "[ . 1 ]" 1
122 2 112 GLU H 2 113 LEU H 4.400 . 4.900 4.436 4.233 4.531 . 0 0 "[ . 1 ]" 1
123 2 111 MET HA 2 112 GLU H 2.740 . 3.240 2.408 2.349 2.577 . 0 0 "[ . 1 ]" 1
124 2 111 MET HG3 2 112 GLU H 4.330 . 4.830 3.600 3.039 3.810 . 0 0 "[ . 1 ]" 1
125 2 112 GLU H 2 112 GLU HB3 2.960 . 3.460 2.580 2.462 2.679 . 0 0 "[ . 1 ]" 1
126 2 112 GLU H 2 112 GLU HB2 3.190 . 3.690 2.630 2.500 2.995 . 0 0 "[ . 1 ]" 1
127 2 40 ARG HB2 2 41 ALA H 4.350 . 4.850 4.273 2.683 4.505 . 0 0 "[ . 1 ]" 1
128 2 97 ASN HB3 2 100 ASP H 3.530 . 4.030 3.490 3.279 3.571 . 0 0 "[ . 1 ]" 1
129 2 99 ASP HB2 2 100 ASP H 3.460 . 3.960 3.396 3.184 3.504 . 0 0 "[ . 1 ]" 1
130 2 98 VAL MG2 2 100 ASP H 6.080 . 6.580 4.773 4.521 4.978 . 0 0 "[ . 1 ]" 1
131 2 46 ASN H 2 46 ASN HB3 3.680 . 4.180 3.055 2.819 3.811 . 0 0 "[ . 1 ]" 1
132 2 46 ASN H 2 46 ASN HB2 3.400 . 3.900 3.292 2.699 3.787 . 0 0 "[ . 1 ]" 1
133 2 100 ASP H 2 101 ALA MB 5.860 . 6.360 3.618 3.590 3.688 . 0 0 "[ . 1 ]" 1
134 2 98 VAL HB 2 100 ASP H 5.210 . 5.710 4.947 4.807 5.290 . 0 0 "[ . 1 ]" 1
135 2 101 ALA H 2 102 LYS H 3.580 . 4.080 2.606 2.501 2.657 . 0 0 "[ . 1 ]" 1
136 2 100 ASP H 2 101 ALA H 3.310 . 3.810 1.801 1.747 1.892 0.053 3 0 "[ . 1 ]" 1
137 2 98 VAL MG2 2 101 ALA H 5.970 . 6.470 4.330 4.076 4.467 . 0 0 "[ . 1 ]" 1
138 2 77 SER H 2 92 PHE H 3.720 . 4.220 2.945 2.601 3.116 . 0 0 "[ . 1 ]" 1
139 2 77 SER H 2 91 ALA MB 6.000 . 6.500 3.755 3.429 4.031 . 0 0 "[ . 1 ]" 1
140 2 77 SER H 2 94 TYR QD 6.070 . 6.570 4.832 4.167 5.369 . 0 0 "[ . 1 ]" 1
141 2 77 SER H 2 92 PHE QD 6.160 . 6.660 4.826 4.218 5.329 . 0 0 "[ . 1 ]" 1
142 2 76 VAL HB 2 77 SER H 4.470 . 4.970 3.834 2.218 4.032 . 0 0 "[ . 1 ]" 1
143 2 77 SER H 2 93 VAL MG1 6.050 . 6.550 4.931 4.775 5.342 . 0 0 "[ . 1 ]" 1
144 2 113 LEU H 2 117 ARG H 4.300 . 4.800 3.540 2.721 3.864 . 0 0 "[ . 1 ]" 1
145 2 117 ARG H 2 118 ILE MG 4.970 . 5.470 3.642 3.430 3.963 . 0 0 "[ . 1 ]" 1
146 2 60 GLU H 2 62 ASP H 4.820 . 5.320 4.452 4.235 4.637 . 0 0 "[ . 1 ]" 1
147 2 60 GLU H 2 60 GLU HG3 3.300 . 3.800 1.967 1.759 2.142 0.041 1 0 "[ . 1 ]" 1
148 2 60 GLU H 2 60 GLU HB3 3.380 . 3.880 3.453 2.793 3.525 . 0 0 "[ . 1 ]" 1
149 2 60 GLU H 2 78 ILE MD 4.540 . 5.040 2.118 1.895 2.188 . 0 0 "[ . 1 ]" 1
150 2 60 GLU H 2 60 GLU HG2 4.330 . 4.830 3.241 3.072 3.386 . 0 0 "[ . 1 ]" 1
151 2 60 GLU H 2 76 VAL MG1 5.780 . 6.280 5.202 4.146 6.622 0.342 6 0 "[ . 1 ]" 1
152 2 60 GLU H 2 78 ILE HG12 4.590 . 5.090 4.625 4.285 4.677 . 0 0 "[ . 1 ]" 1
153 2 60 GLU H 2 78 ILE MG 6.610 . 7.110 4.632 4.453 4.867 . 0 0 "[ . 1 ]" 1
154 2 116 ARG HB3 2 117 ARG H 3.970 . 4.470 3.924 2.484 4.083 . 0 0 "[ . 1 ]" 1
155 2 117 ARG H 2 117 ARG QD 4.320 . 4.820 2.377 2.081 3.624 . 0 0 "[ . 1 ]" 1
156 2 116 ARG HB2 2 117 ARG H 3.340 . 3.840 3.399 3.319 3.511 . 0 0 "[ . 1 ]" 1
157 2 117 ARG H 2 117 ARG HB2 3.730 . 4.230 3.588 3.471 3.749 . 0 0 "[ . 1 ]" 1
158 2 99 ASP H 2 101 ALA H 4.640 . 5.140 3.896 3.792 3.980 . 0 0 "[ . 1 ]" 1
159 2 97 ASN HA 2 99 ASP H 4.100 . 4.600 3.506 2.981 3.745 . 0 0 "[ . 1 ]" 1
160 2 99 ASP H 2 100 ASP H 3.420 . 3.920 2.657 2.527 2.726 . 0 0 "[ . 1 ]" 1
161 2 97 ASN HB3 2 99 ASP H 3.910 . 4.410 3.308 2.722 3.957 . 0 0 "[ . 1 ]" 1
162 2 99 ASP H 2 99 ASP HB2 3.100 . 3.600 2.436 2.306 2.501 . 0 0 "[ . 1 ]" 1
163 2 98 VAL HB 2 99 ASP H 3.830 . 4.330 3.379 3.157 3.943 . 0 0 "[ . 1 ]" 1
164 2 48 CYS H 2 123 SER QB 6.170 . 6.670 5.573 5.383 5.696 . 0 0 "[ . 1 ]" 1
165 2 40 ARG H 2 41 ALA H 4.310 . 4.810 2.480 1.699 4.358 0.101 7 0 "[ . 1 ]" 1
166 2 39 ASN HA 2 40 ARG H 3.030 . 3.530 2.266 1.966 2.496 . 0 0 "[ . 1 ]" 1
167 2 39 ASN HB2 2 40 ARG H 4.100 . 4.600 3.650 2.182 4.186 . 0 0 "[ . 1 ]" 1
168 2 40 ARG H 2 40 ARG HB3 3.740 . 4.240 2.718 2.194 3.471 . 0 0 "[ . 1 ]" 1
169 2 48 CYS H 2 48 CYS HB3 4.150 . 4.650 3.637 2.762 3.855 . 0 0 "[ . 1 ]" 1
170 2 76 VAL H 2 77 SER H 4.310 . 4.810 4.345 4.336 4.363 . 0 0 "[ . 1 ]" 1
171 2 75 ASP H 2 76 VAL H 4.460 . 4.960 4.400 4.380 4.433 . 0 0 "[ . 1 ]" 1
172 2 75 ASP HA 2 76 VAL H 2.740 . 3.240 2.515 2.423 2.649 . 0 0 "[ . 1 ]" 1
173 2 75 ASP HB2 2 76 VAL H 3.910 . 4.410 3.592 3.330 3.763 . 0 0 "[ . 1 ]" 1
174 2 73 ILE MG 2 76 VAL H 6.020 . 6.520 4.566 4.455 4.706 . 0 0 "[ . 1 ]" 1
175 2 76 VAL H 2 93 VAL MG2 6.610 . 7.110 5.698 5.501 5.800 . 0 0 "[ . 1 ]" 1
176 2 103 GLU H 2 104 ALA H 3.240 . 3.740 2.483 2.403 2.537 . 0 0 "[ . 1 ]" 1
177 2 70 TYR HB3 2 104 ALA H 4.530 . 5.030 3.396 3.115 3.842 . 0 0 "[ . 1 ]" 1
178 2 101 ALA HA 2 104 ALA H 3.970 . 4.470 3.044 2.778 3.312 . 0 0 "[ . 1 ]" 1
179 2 101 ALA MB 2 104 ALA H 5.520 . 6.020 4.226 3.836 4.496 . 0 0 "[ . 1 ]" 1
180 2 120 VAL H 2 121 ASP H 4.710 . 5.210 4.141 3.871 4.276 . 0 0 "[ . 1 ]" 1
181 2 110 GLY H 2 120 VAL H 4.730 . 5.230 3.778 3.335 4.771 . 0 0 "[ . 1 ]" 1
182 2 109 ASN HB3 2 120 VAL H 4.880 . 5.380 4.740 4.413 4.988 . 0 0 "[ . 1 ]" 1
183 2 109 ASN HB2 2 120 VAL H 5.060 . 5.560 3.794 3.220 4.468 . 0 0 "[ . 1 ]" 1
184 2 109 ASN HA 2 120 VAL H 4.070 . 4.570 2.610 2.042 3.019 . 0 0 "[ . 1 ]" 1
185 2 51 VAL MG1 2 120 VAL H 6.460 . 6.960 5.369 5.155 5.531 . 0 0 "[ . 1 ]" 1
186 2 110 GLY H 2 111 MET H 3.440 . 3.940 2.630 1.756 2.981 0.044 6 0 "[ . 1 ]" 1
187 2 111 MET H 2 118 ILE H 4.640 . 5.140 4.274 4.035 4.592 . 0 0 "[ . 1 ]" 1
188 2 109 ASN HB3 2 111 MET H 4.930 . 5.430 4.986 4.956 5.031 . 0 0 "[ . 1 ]" 1
189 2 111 MET H 2 111 MET HG3 3.700 . 4.200 3.367 3.164 3.492 . 0 0 "[ . 1 ]" 1
190 2 111 MET H 2 111 MET HB2 3.240 . 3.740 3.609 3.589 3.624 . 0 0 "[ . 1 ]" 1
191 2 111 MET H 2 118 ILE HG13 4.130 . 4.630 3.557 3.344 3.778 . 0 0 "[ . 1 ]" 1
192 2 111 MET H 2 118 ILE HG12 4.320 . 4.820 3.215 2.837 3.656 . 0 0 "[ . 1 ]" 1
193 2 111 MET H 2 118 ILE MD 5.510 . 6.010 3.662 3.449 3.944 . 0 0 "[ . 1 ]" 1
194 2 59 THR H 2 61 ARG H 5.300 . 5.800 4.723 4.521 4.879 . 0 0 "[ . 1 ]" 1
195 2 59 THR H 2 60 GLU H 5.230 . 5.730 4.407 4.368 4.467 . 0 0 "[ . 1 ]" 1
196 2 64 ARG H 2 65 GLU H 3.290 . 3.790 2.633 2.546 2.694 . 0 0 "[ . 1 ]" 1
197 2 63 LEU H 2 64 ARG H 3.290 . 3.790 2.645 2.524 2.812 . 0 0 "[ . 1 ]" 1
198 2 61 ARG HA 2 64 ARG H 3.600 . 4.100 3.643 3.609 3.688 . 0 0 "[ . 1 ]" 1
199 2 62 ASP HB3 2 64 ARG H 4.690 . 5.190 4.775 4.745 4.864 . 0 0 "[ . 1 ]" 1
200 2 64 ARG H 2 64 ARG QB 3.050 . 3.550 2.256 2.173 2.527 . 0 0 "[ . 1 ]" 1
201 2 64 ARG H 2 76 VAL MG1 4.640 . 5.140 4.200 3.826 4.509 . 0 0 "[ . 1 ]" 1
202 2 63 LEU MD2 2 64 ARG H 6.440 . 6.940 4.579 3.837 4.796 . 0 0 "[ . 1 ]" 1
203 2 63 LEU MD1 2 64 ARG H 5.620 . 6.120 4.647 4.193 4.795 . 0 0 "[ . 1 ]" 1
204 2 101 ALA HA 2 103 GLU H 4.510 . 5.010 3.796 3.388 4.092 . 0 0 "[ . 1 ]" 1
205 2 103 GLU H 2 105 LYS H 4.560 . 5.060 3.878 3.685 4.185 . 0 0 "[ . 1 ]" 1
206 2 100 ASP HA 2 103 GLU H 3.840 . 4.340 3.488 3.253 3.725 . 0 0 "[ . 1 ]" 1
207 2 103 GLU H 2 104 ALA MB 5.730 . 6.230 4.164 4.097 4.218 . 0 0 "[ . 1 ]" 1
208 2 59 THR H 2 63 LEU H 4.780 . 5.280 4.049 3.861 4.183 . 0 0 "[ . 1 ]" 1
209 2 58 THR HA 2 59 THR H 3.110 . 3.610 2.409 2.340 2.478 . 0 0 "[ . 1 ]" 1
210 2 59 THR H 2 62 ASP HB3 3.820 . 4.320 2.699 2.494 3.217 . 0 0 "[ . 1 ]" 1
211 2 59 THR H 2 62 ASP HB2 4.020 . 4.520 3.266 3.124 3.376 . 0 0 "[ . 1 ]" 1
212 2 121 ASP H 2 122 PHE H 4.670 . 5.170 4.377 4.347 4.428 . 0 0 "[ . 1 ]" 1
213 2 49 LEU HA 2 122 PHE H 5.390 . 5.890 4.078 3.792 4.332 . 0 0 "[ . 1 ]" 1
214 2 121 ASP HA 2 122 PHE H 3.130 . 3.630 2.652 2.480 2.784 . 0 0 "[ . 1 ]" 1
215 2 122 PHE H 2 122 PHE HB3 3.870 . 4.370 3.606 3.522 3.629 . 0 0 "[ . 1 ]" 1
216 2 105 LYS QD 2 122 PHE H 5.420 . 5.920 3.627 3.345 4.259 . 0 0 "[ . 1 ]" 1
217 2 105 LYS HG2 2 122 PHE H 5.490 . 5.500 4.968 3.754 5.281 . 0 0 "[ . 1 ]" 1
218 2 106 GLU H 2 108 ALA H 4.390 . 4.890 4.388 4.336 4.419 . 0 0 "[ . 1 ]" 1
219 2 70 TYR QE 2 108 ALA H 5.930 . 6.430 4.718 4.396 5.123 . 0 0 "[ . 1 ]" 1
220 2 106 GLU HA 2 108 ALA H 5.120 . 5.620 4.842 4.665 4.984 . 0 0 "[ . 1 ]" 1
221 2 105 LYS HA 2 108 ALA H 4.730 . 5.230 4.143 3.686 4.538 . 0 0 "[ . 1 ]" 1
222 2 108 ALA H 2 109 ASN HB3 5.360 . 5.860 5.086 5.029 5.154 . 0 0 "[ . 1 ]" 1
223 2 108 ALA H 2 109 ASN HB2 4.650 . 5.150 4.617 4.398 4.689 . 0 0 "[ . 1 ]" 1
224 2 104 ALA HA 2 108 ALA H 3.980 . 4.480 3.741 3.496 3.969 . 0 0 "[ . 1 ]" 1
225 2 107 ARG H 2 108 ALA H 3.240 . 3.740 2.417 2.280 2.532 . 0 0 "[ . 1 ]" 1
226 2 108 ALA H 2 109 ASN H 3.290 . 3.790 2.658 2.633 2.690 . 0 0 "[ . 1 ]" 1
227 2 107 ARG HB3 2 108 ALA H 4.180 . 4.680 3.428 3.328 3.552 . 0 0 "[ . 1 ]" 1
228 2 107 ARG HG3 2 108 ALA H 4.570 . 5.070 4.675 4.648 4.708 . 0 0 "[ . 1 ]" 1
229 2 107 ARG HB2 2 108 ALA H 3.850 . 4.350 2.408 2.367 2.496 . 0 0 "[ . 1 ]" 1
230 2 90 PHE H 2 91 ALA H 4.710 . 5.210 4.433 4.304 4.521 . 0 0 "[ . 1 ]" 1
231 2 78 ILE HA 2 91 ALA H 4.470 . 4.970 4.597 4.528 4.677 . 0 0 "[ . 1 ]" 1
232 2 51 VAL H 2 91 ALA H 3.950 . 4.450 3.473 3.133 3.784 . 0 0 "[ . 1 ]" 1
233 2 90 PHE QD 2 91 ALA H 4.760 . 5.260 2.800 1.997 3.232 . 0 0 "[ . 1 ]" 1
234 2 90 PHE HA 2 91 ALA H 3.430 . 3.930 2.617 2.438 2.866 . 0 0 "[ . 1 ]" 1
235 2 90 PHE HB3 2 91 ALA H 3.930 . 4.430 3.803 3.405 4.071 . 0 0 "[ . 1 ]" 1
236 2 90 PHE HB2 2 91 ALA H 3.690 . 4.190 2.429 1.788 2.992 0.012 2 0 "[ . 1 ]" 1
237 2 51 VAL HB 2 91 ALA H 3.850 . 4.350 3.894 3.651 4.012 . 0 0 "[ . 1 ]" 1
238 2 52 PHE QD 2 91 ALA H 5.780 . 6.280 3.363 2.995 4.364 . 0 0 "[ . 1 ]" 1
239 2 65 GLU H 2 66 VAL H 3.420 . 3.920 2.318 2.077 2.557 . 0 0 "[ . 1 ]" 1
240 2 62 ASP HA 2 65 GLU H 4.000 . 4.500 3.752 3.583 3.930 . 0 0 "[ . 1 ]" 1
241 2 65 GLU H 2 65 GLU HG3 3.620 . 4.120 2.423 2.214 3.370 . 0 0 "[ . 1 ]" 1
242 2 65 GLU H 2 65 GLU HB2 2.890 . 3.390 2.422 2.348 2.497 . 0 0 "[ . 1 ]" 1
243 2 114 ASP H 2 116 ARG H 4.910 . 5.410 2.820 2.529 4.031 . 0 0 "[ . 1 ]" 1
244 2 112 GLU HA 2 116 ARG H 4.160 . 4.660 4.121 3.842 4.284 . 0 0 "[ . 1 ]" 1
245 2 116 ARG H 2 118 ILE MG 6.100 . 6.600 3.900 3.414 4.476 . 0 0 "[ . 1 ]" 1
246 2 116 ARG H 2 117 ARG H 4.310 . 4.810 2.062 1.728 2.645 0.072 4 0 "[ . 1 ]" 1
247 2 114 ASP HA 2 116 ARG H 4.600 . 5.100 4.549 4.471 4.612 . 0 0 "[ . 1 ]" 1
248 2 116 ARG H 2 117 ARG QD 4.760 . 5.260 3.843 3.515 4.281 . 0 0 "[ . 1 ]" 1
249 2 116 ARG H 2 116 ARG HB3 3.450 . 3.950 3.536 2.881 3.662 . 0 0 "[ . 1 ]" 1
250 2 116 ARG H 2 116 ARG HB2 3.230 . 3.730 2.419 2.284 2.927 . 0 0 "[ . 1 ]" 1
251 2 116 ARG H 2 116 ARG QG 4.400 . 4.900 3.025 2.438 4.095 . 0 0 "[ . 1 ]" 1
252 2 60 GLU HA 2 62 ASP H 5.330 . 5.830 4.249 3.867 4.401 . 0 0 "[ . 1 ]" 1
253 2 61 ARG H 2 76 VAL MG1 6.000 . 6.500 5.322 4.944 6.681 0.181 6 0 "[ . 1 ]" 1
254 2 61 ARG H 2 61 ARG HB3 3.290 . 3.790 3.467 3.409 3.488 . 0 0 "[ . 1 ]" 1
255 2 60 GLU H 2 61 ARG H 3.590 . 4.090 2.922 2.765 3.024 . 0 0 "[ . 1 ]" 1
256 2 61 ARG H 2 61 ARG HD3 5.270 . 5.770 4.063 2.270 4.883 . 0 0 "[ . 1 ]" 1
257 2 61 ARG H 2 61 ARG HB2 3.130 . 3.630 2.214 2.045 2.277 . 0 0 "[ . 1 ]" 1
258 2 59 THR MG 2 61 ARG H 6.060 . 6.560 2.028 1.600 4.290 0.200 3 0 "[ . 1 ]" 1
259 2 59 THR H 2 62 ASP H 4.350 . 4.850 3.549 3.443 3.657 . 0 0 "[ . 1 ]" 1
260 2 62 ASP H 2 64 ARG H 4.670 . 5.170 3.907 3.695 4.036 . 0 0 "[ . 1 ]" 1
261 2 61 ARG H 2 62 ASP H 3.430 . 3.930 2.581 2.391 2.648 . 0 0 "[ . 1 ]" 1
262 2 62 ASP H 2 63 LEU H 3.530 . 4.030 2.536 2.269 2.695 . 0 0 "[ . 1 ]" 1
263 2 62 ASP H 2 62 ASP HB3 3.390 . 3.890 2.505 2.458 2.636 . 0 0 "[ . 1 ]" 1
264 2 62 ASP H 2 62 ASP HB2 3.510 . 4.010 2.473 2.420 2.560 . 0 0 "[ . 1 ]" 1
265 2 61 ARG HB3 2 62 ASP H 3.560 . 4.060 3.603 3.430 3.641 . 0 0 "[ . 1 ]" 1
266 2 61 ARG HB2 2 62 ASP H 3.410 . 3.910 2.744 2.622 3.026 . 0 0 "[ . 1 ]" 1
267 2 61 ARG QG 2 62 ASP H 4.930 . 5.430 4.252 4.128 4.528 . 0 0 "[ . 1 ]" 1
268 2 58 THR H 2 59 THR H 4.800 . 5.300 4.612 4.450 4.739 . 0 0 "[ . 1 ]" 1
269 2 56 LEU H 2 58 THR H 4.830 . 5.330 4.558 3.762 4.939 . 0 0 "[ . 1 ]" 1
270 2 57 TYR H 2 58 THR H 3.350 . 3.850 2.240 1.885 2.776 . 0 0 "[ . 1 ]" 1
271 2 55 SER QB 2 58 THR H 4.250 . 4.750 3.810 3.758 3.846 . 0 0 "[ . 1 ]" 1
272 2 58 THR H 2 58 THR HB 3.140 . 3.640 2.613 2.413 2.760 . 0 0 "[ . 1 ]" 1
273 2 57 TYR HB3 2 58 THR H 4.540 . 5.040 4.346 4.173 4.453 . 0 0 "[ . 1 ]" 1
274 2 57 TYR HB2 2 58 THR H 4.380 . 4.880 3.735 3.204 4.129 . 0 0 "[ . 1 ]" 1
275 2 67 PHE HB3 2 69 LYS H 5.000 . 5.500 5.056 5.041 5.076 . 0 0 "[ . 1 ]" 1
276 2 69 LYS H 2 70 TYR H 3.440 . 3.940 2.442 2.353 2.541 . 0 0 "[ . 1 ]" 1
277 2 69 LYS H 2 70 TYR QD 4.910 . 5.410 3.534 3.205 3.836 . 0 0 "[ . 1 ]" 1
278 2 67 PHE HA 2 69 LYS H 4.270 . 4.770 3.566 3.510 3.598 . 0 0 "[ . 1 ]" 1
279 2 66 VAL HA 2 69 LYS H 4.700 . 5.200 3.982 3.465 4.450 . 0 0 "[ . 1 ]" 1
280 2 69 LYS H 2 70 TYR HB2 4.970 . 5.470 4.614 4.473 4.712 . 0 0 "[ . 1 ]" 1
281 2 69 LYS H 2 69 LYS QE 5.540 . 6.040 3.621 3.319 4.509 . 0 0 "[ . 1 ]" 1
282 2 69 LYS H 2 69 LYS HG3 3.680 . 4.180 2.629 2.278 3.455 . 0 0 "[ . 1 ]" 1
283 2 66 VAL MG2 2 69 LYS H 6.610 . 7.110 5.653 5.274 5.971 . 0 0 "[ . 1 ]" 1
284 2 69 LYS H 2 73 ILE MD 6.380 . 6.880 4.626 4.553 4.759 . 0 0 "[ . 1 ]" 1
285 2 39 ASN H 2 39 ASN HB3 3.820 . 4.320 2.995 2.506 3.571 . 0 0 "[ . 1 ]" 1
286 2 39 ASN H 2 39 ASN HB2 3.840 . 4.340 3.126 2.361 3.909 . 0 0 "[ . 1 ]" 1
287 2 61 ARG H 2 64 ARG H 5.000 . 5.500 4.794 4.653 4.923 . 0 0 "[ . 1 ]" 1
288 2 61 ARG H 2 78 ILE MD 6.040 . 6.540 4.417 4.169 4.555 . 0 0 "[ . 1 ]" 1
289 2 95 PHE QD 2 96 GLU H 5.340 . 5.840 3.424 3.160 3.763 . 0 0 "[ . 1 ]" 1
290 2 96 GLU H 2 96 GLU HG2 4.140 . 4.640 2.646 2.372 2.851 . 0 0 "[ . 1 ]" 1
291 2 74 ALA H 2 96 GLU H 4.450 . 4.950 4.348 3.573 4.472 . 0 0 "[ . 1 ]" 1
292 2 73 ILE MD 2 96 GLU H 6.610 . 7.110 4.991 4.761 5.356 . 0 0 "[ . 1 ]" 1
293 2 73 ILE HA 2 96 GLU H 4.440 . 4.940 3.957 3.655 4.260 . 0 0 "[ . 1 ]" 1
294 2 95 PHE HB3 2 96 GLU H 4.330 . 4.830 2.407 2.265 2.689 . 0 0 "[ . 1 ]" 1
295 2 95 PHE HB2 2 96 GLU H 4.460 . 4.960 3.764 3.633 3.963 . 0 0 "[ . 1 ]" 1
296 2 96 GLU H 2 96 GLU HG3 3.550 . 4.050 2.276 2.076 2.369 . 0 0 "[ . 1 ]" 1
297 2 74 ALA MB 2 96 GLU H 6.500 . 7.000 3.741 3.250 3.957 . 0 0 "[ . 1 ]" 1
298 2 73 ILE MG 2 96 GLU H 6.610 . 7.110 5.486 5.210 5.571 . 0 0 "[ . 1 ]" 1
299 2 86 ARG H 2 87 SER H 4.620 . 5.120 3.961 2.365 4.612 . 0 0 "[ . 1 ]" 1
300 2 80 TYR QD 2 86 ARG H 5.810 . 6.310 6.760 5.262 7.760 1.450 1 7 "[+ * * -***]" 1
301 2 81 ASP H 2 86 ARG H 4.170 . 4.670 6.753 5.682 8.757 4.087 9 12 [********+*-*] 1
302 2 85 ARG QD 2 86 ARG H . . 4.370 5.347 4.680 5.799 1.429 12 8 "[ *****-* +]" 1
303 2 81 ASP QB 2 86 ARG H 3.880 . 4.380 5.590 4.102 8.307 3.927 9 6 "[ **-.* *+1 ]" 1
304 2 85 ARG QB 2 86 ARG H 3.040 . 3.540 3.694 3.364 3.911 0.371 12 0 "[ . 1 ]" 1
305 2 102 LYS H 2 105 LYS H 5.190 . 5.690 4.971 4.743 5.199 . 0 0 "[ . 1 ]" 1
306 2 104 ALA H 2 105 LYS H 3.800 . 4.300 2.594 2.453 2.673 . 0 0 "[ . 1 ]" 1
307 2 105 LYS H 2 106 GLU H 3.350 . 3.850 2.446 2.400 2.517 . 0 0 "[ . 1 ]" 1
308 2 102 LYS HA 2 105 LYS H 3.720 . 4.220 3.450 3.237 3.651 . 0 0 "[ . 1 ]" 1
309 2 105 LYS H 2 106 GLU QB 4.710 . 5.210 4.300 4.281 4.316 . 0 0 "[ . 1 ]" 1
310 2 105 LYS H 2 105 LYS HB3 3.050 . 3.550 2.300 2.169 3.095 . 0 0 "[ . 1 ]" 1
311 2 104 ALA MB 2 105 LYS H 4.250 . 4.750 2.884 2.820 2.980 . 0 0 "[ . 1 ]" 1
312 2 49 LEU MD1 2 105 LYS H 5.610 . 6.110 5.271 4.338 5.894 . 0 0 "[ . 1 ]" 1
313 2 105 LYS H 2 105 LYS HG2 4.490 . 4.990 4.082 2.377 4.382 . 0 0 "[ . 1 ]" 1
314 2 105 LYS H 2 108 ALA H 5.200 . 5.700 4.820 4.777 4.929 . 0 0 "[ . 1 ]" 1
315 2 105 LYS H 2 105 LYS QE 5.140 . 5.640 4.252 4.151 4.548 . 0 0 "[ . 1 ]" 1
316 2 80 TYR QD 2 87 SER H 4.680 . 5.180 4.082 3.246 4.269 . 0 0 "[ . 1 ]" 1
317 2 80 TYR QE 2 87 SER H 5.170 . 5.670 5.346 3.718 6.018 0.348 12 0 "[ . 1 ]" 1
318 2 86 ARG HA 2 87 SER H 2.870 . 3.370 2.694 2.145 3.272 . 0 0 "[ . 1 ]" 1
319 2 87 SER H 2 87 SER QB 3.350 . 3.850 2.459 2.239 2.787 . 0 0 "[ . 1 ]" 1
320 2 85 ARG QD 2 87 SER H 4.910 . 5.410 7.697 6.245 8.710 3.300 9 12 [***-****+***] 1
321 2 85 ARG QB 2 87 SER H 3.810 . 4.310 5.842 4.313 6.614 2.304 11 9 "[*-* * * **+*]" 1
322 2 61 ARG H 2 63 LEU H 4.360 . 4.860 4.172 3.873 4.347 . 0 0 "[ . 1 ]" 1
323 2 62 ASP HB3 2 63 LEU H 3.550 . 4.050 2.450 2.184 2.574 . 0 0 "[ . 1 ]" 1
324 2 62 ASP HB2 2 63 LEU H 3.760 . 4.260 3.767 3.528 3.826 . 0 0 "[ . 1 ]" 1
325 2 63 LEU H 2 63 LEU HB3 3.200 . 3.700 3.448 3.338 3.471 . 0 0 "[ . 1 ]" 1
326 2 61 ARG HB2 2 63 LEU H 5.080 . 5.580 5.122 5.086 5.205 . 0 0 "[ . 1 ]" 1
327 2 63 LEU H 2 63 LEU HG 3.390 . 3.890 2.552 2.018 3.692 . 0 0 "[ . 1 ]" 1
328 2 63 LEU H 2 63 LEU HB2 3.550 . 4.050 2.267 2.000 2.367 . 0 0 "[ . 1 ]" 1
329 2 63 LEU H 2 63 LEU MD1 5.080 . 5.580 3.266 1.996 3.502 . 0 0 "[ . 1 ]" 1
330 2 109 ASN H 2 110 GLY H 4.920 . 5.420 4.196 2.858 4.651 . 0 0 "[ . 1 ]" 1
331 2 82 GLN H 2 83 GLN H 3.390 . 3.890 2.454 1.789 3.047 0.011 11 0 "[ . 1 ]" 1
332 2 83 GLN H 2 85 ARG H 4.260 . 4.760 5.500 2.743 6.981 2.221 9 8 "[* *.*-*+1**]" 1
333 2 81 ASP QB 2 83 GLN H 4.530 . 5.030 3.295 2.448 4.241 . 0 0 "[ . 1 ]" 1
334 2 83 GLN H 2 83 GLN HG3 3.930 . 4.430 3.536 2.174 4.306 . 0 0 "[ . 1 ]" 1
335 2 82 GLN HB2 2 83 GLN H 3.030 . 3.530 3.601 2.755 4.397 0.867 3 2 "[ + . 1- ]" 1
336 2 110 GLY H 2 118 ILE MD 6.390 . 6.890 4.479 4.143 4.910 . 0 0 "[ . 1 ]" 1
337 2 110 GLY H 2 110 GLY HA3 2.910 . 3.410 2.816 2.782 2.844 . 0 0 "[ . 1 ]" 1
338 2 109 ASN HB3 2 110 GLY H 4.390 . 4.890 3.842 3.265 4.074 . 0 0 "[ . 1 ]" 1
339 2 109 ASN HB2 2 110 GLY H 4.870 . 5.370 4.231 4.171 4.283 . 0 0 "[ . 1 ]" 1
340 2 110 GLY H 2 120 VAL MG1 5.380 . 5.880 5.514 5.274 5.851 . 0 0 "[ . 1 ]" 1
341 2 85 ARG H 2 86 ARG H 3.540 . 4.040 2.717 1.990 3.026 . 0 0 "[ . 1 ]" 1
342 2 85 ARG H 2 85 ARG HA 2.840 . 3.340 2.690 2.228 2.969 . 0 0 "[ . 1 ]" 1
343 2 98 VAL HA 2 102 LYS H 5.070 . 5.570 3.360 3.213 3.446 . 0 0 "[ . 1 ]" 1
344 2 70 TYR H 2 70 TYR QE 5.740 . 6.240 4.464 4.290 4.723 . 0 0 "[ . 1 ]" 1
345 2 102 LYS H 2 103 GLU H 3.510 . 4.010 2.673 2.598 2.748 . 0 0 "[ . 1 ]" 1
346 2 100 ASP HA 2 102 LYS H 4.050 . 4.550 3.706 3.404 3.988 . 0 0 "[ . 1 ]" 1
347 2 102 LYS H 2 102 LYS HB3 3.330 . 3.830 2.494 2.397 2.536 . 0 0 "[ . 1 ]" 1
348 2 102 LYS H 2 102 LYS HG3 3.680 . 4.180 3.330 3.210 3.557 . 0 0 "[ . 1 ]" 1
349 2 102 LYS H 2 102 LYS HG2 3.530 . 4.030 1.959 1.891 2.162 . 0 0 "[ . 1 ]" 1
350 2 41 ALA HA 2 42 ASN H 3.450 . 3.950 2.932 2.564 3.543 . 0 0 "[ . 1 ]" 1
351 2 42 ASN H 2 42 ASN HB3 3.910 . 4.410 3.014 2.545 3.776 . 0 0 "[ . 1 ]" 1
352 2 42 ASN H 2 42 ASN HB2 3.840 . 4.340 3.044 2.285 3.435 . 0 0 "[ . 1 ]" 1
353 2 41 ALA MB 2 42 ASN H 4.800 . 5.300 2.653 1.863 3.681 . 0 0 "[ . 1 ]" 1
354 2 70 TYR H 2 73 ILE MD 6.290 . 6.790 4.611 4.314 4.855 . 0 0 "[ . 1 ]" 1
355 2 70 TYR H 2 70 TYR QD 3.960 . 4.460 2.415 2.072 2.662 . 0 0 "[ . 1 ]" 1
356 2 68 SER HA 2 70 TYR H 4.340 . 4.840 4.011 3.652 4.292 . 0 0 "[ . 1 ]" 1
357 2 70 TYR H 2 70 TYR HB3 3.750 . 4.250 3.628 3.586 3.713 . 0 0 "[ . 1 ]" 1
358 2 70 TYR H 2 70 TYR HB2 3.600 . 4.100 2.426 2.383 2.517 . 0 0 "[ . 1 ]" 1
359 2 69 LYS HB2 2 70 TYR H 3.780 . 4.280 3.157 2.732 3.861 . 0 0 "[ . 1 ]" 1
360 2 66 VAL HA 2 70 TYR H 5.480 . 5.980 5.611 5.554 5.648 . 0 0 "[ . 1 ]" 1
361 2 69 LYS HG3 2 70 TYR H 5.500 . 6.000 3.972 2.416 4.655 . 0 0 "[ . 1 ]" 1
362 2 66 VAL H 2 67 PHE H 3.510 . 4.010 2.547 2.472 2.661 . 0 0 "[ . 1 ]" 1
363 2 65 GLU HB2 2 66 VAL H 3.400 . 3.900 2.563 2.155 2.720 . 0 0 "[ . 1 ]" 1
364 2 66 VAL H 2 66 VAL HB 3.140 . 3.640 2.411 2.348 2.469 . 0 0 "[ . 1 ]" 1
365 2 66 VAL H 2 67 PHE HB2 4.600 . 5.100 4.626 4.512 4.711 . 0 0 "[ . 1 ]" 1
366 2 96 GLU H 2 97 ASN H 3.830 . 4.330 1.976 1.850 2.281 . 0 0 "[ . 1 ]" 1
367 2 95 PHE QD 2 97 ASN H 5.010 . 5.510 3.728 3.421 3.936 . 0 0 "[ . 1 ]" 1
368 2 95 PHE HB3 2 97 ASN H 3.930 . 4.430 2.474 2.281 2.599 . 0 0 "[ . 1 ]" 1
369 2 97 ASN H 2 97 ASN HB3 3.580 . 4.080 3.619 2.903 3.768 . 0 0 "[ . 1 ]" 1
370 2 97 ASN H 2 97 ASN HB2 3.920 . 4.420 2.758 2.628 3.333 . 0 0 "[ . 1 ]" 1
371 2 96 GLU HG3 2 97 ASN H 3.900 . 4.400 3.758 3.494 3.938 . 0 0 "[ . 1 ]" 1
372 2 96 GLU HG2 2 97 ASN H 4.210 . 4.710 4.337 4.104 4.433 . 0 0 "[ . 1 ]" 1
373 2 97 ASN H 2 101 ALA MB 6.530 . 7.030 3.679 3.268 3.875 . 0 0 "[ . 1 ]" 1
374 2 107 ARG H 2 109 ASN H 4.550 . 5.050 3.840 3.729 3.937 . 0 0 "[ . 1 ]" 1
375 2 107 ARG H 2 107 ARG HG3 3.520 . 4.020 3.549 3.423 3.615 . 0 0 "[ . 1 ]" 1
376 2 107 ARG H 2 107 ARG HB2 3.460 . 3.960 2.296 2.261 2.351 . 0 0 "[ . 1 ]" 1
377 2 107 ARG H 2 108 ALA MB 5.560 . 6.060 4.153 4.040 4.259 . 0 0 "[ . 1 ]" 1
378 2 106 GLU QB 2 107 ARG H 3.720 . 4.220 2.945 2.861 3.107 . 0 0 "[ . 1 ]" 1
379 2 53 GLY H 2 54 LEU H 4.300 . 4.800 3.999 2.845 4.410 . 0 0 "[ . 1 ]" 1
380 2 54 LEU H 2 55 SER H 4.680 . 5.180 3.223 2.565 4.589 . 0 0 "[ . 1 ]" 1
381 2 54 LEU H 2 54 LEU HG 3.470 . 3.970 2.361 1.797 3.534 0.003 3 0 "[ . 1 ]" 1
382 2 54 LEU H 2 54 LEU HB2 3.730 . 4.230 3.074 2.507 3.751 . 0 0 "[ . 1 ]" 1
383 2 54 LEU H 2 54 LEU MD2 4.830 . 5.330 3.310 1.821 4.094 . 0 0 "[ . 1 ]" 1
384 2 54 LEU H 2 54 LEU MD1 5.070 . 5.570 3.291 2.310 4.365 . 0 0 "[ . 1 ]" 1
385 2 67 PHE H 2 68 SER HA 5.340 . 5.840 4.865 4.713 5.061 . 0 0 "[ . 1 ]" 1
386 2 55 SER H 2 56 LEU H 5.060 . 5.560 3.011 1.786 3.623 0.014 11 0 "[ . 1 ]" 1
387 2 67 PHE H 2 67 PHE QD 3.760 . 4.260 2.477 2.168 2.848 . 0 0 "[ . 1 ]" 1
388 2 67 PHE H 2 70 TYR QD 5.780 . 6.280 4.658 4.413 4.840 . 0 0 "[ . 1 ]" 1
389 2 67 PHE H 2 69 LYS H 4.390 . 4.890 3.756 3.583 3.960 . 0 0 "[ . 1 ]" 1
390 2 63 LEU HA 2 67 PHE H 4.430 . 4.930 4.103 3.765 4.445 . 0 0 "[ . 1 ]" 1
391 2 67 PHE H 2 67 PHE HB3 3.590 . 4.090 3.629 3.542 3.705 . 0 0 "[ . 1 ]" 1
392 2 67 PHE H 2 67 PHE HB2 3.380 . 3.880 2.399 2.257 2.531 . 0 0 "[ . 1 ]" 1
393 2 65 GLU HB2 2 67 PHE H 4.660 . 5.160 4.763 4.661 4.806 . 0 0 "[ . 1 ]" 1
394 2 66 VAL HB 2 67 PHE H 3.310 . 3.810 3.222 2.955 3.413 . 0 0 "[ . 1 ]" 1
395 2 66 VAL MG2 2 67 PHE H 4.900 . 5.400 4.101 4.003 4.181 . 0 0 "[ . 1 ]" 1
396 2 67 PHE H 2 73 ILE MD 5.190 . 5.690 4.169 4.012 4.329 . 0 0 "[ . 1 ]" 1
397 2 68 SER H 2 70 TYR QD 5.530 . 6.030 4.914 4.744 5.037 . 0 0 "[ . 1 ]" 1
398 2 68 SER H 2 69 LYS H 3.580 . 4.080 2.699 2.601 2.745 . 0 0 "[ . 1 ]" 1
399 2 67 PHE HB3 2 68 SER H 4.120 . 4.620 3.789 3.713 3.856 . 0 0 "[ . 1 ]" 1
400 2 68 SER H 2 73 ILE HG12 5.020 . 5.520 4.241 4.127 4.364 . 0 0 "[ . 1 ]" 1
401 2 67 PHE H 2 68 SER H 3.490 . 3.990 2.184 2.024 2.416 . 0 0 "[ . 1 ]" 1
402 2 67 PHE QD 2 68 SER H 4.860 . 5.360 4.367 4.257 4.414 . 0 0 "[ . 1 ]" 1
403 2 68 SER H 2 68 SER HB2 3.330 . 3.830 2.711 2.514 3.547 . 0 0 "[ . 1 ]" 1
404 2 66 VAL HA 2 68 SER H 4.740 . 5.240 4.459 4.182 4.787 . 0 0 "[ . 1 ]" 1
405 2 67 PHE HB2 2 68 SER H 4.050 . 4.550 3.024 2.880 3.150 . 0 0 "[ . 1 ]" 1
406 2 66 VAL HB 2 68 SER H 5.480 . 5.980 5.277 5.117 5.433 . 0 0 "[ . 1 ]" 1
407 2 68 SER H 2 73 ILE HG13 4.290 . 4.790 3.546 3.453 3.656 . 0 0 "[ . 1 ]" 1
408 2 66 VAL MG1 2 68 SER H 6.610 . 7.110 5.341 5.121 5.583 . 0 0 "[ . 1 ]" 1
409 2 68 SER H 2 73 ILE MG 6.050 . 6.550 5.051 4.987 5.081 . 0 0 "[ . 1 ]" 1
410 2 68 SER H 2 73 ILE MD 4.980 . 5.480 3.275 3.109 3.590 . 0 0 "[ . 1 ]" 1
411 2 55 SER HA 2 57 TYR H 4.130 . 4.630 3.668 3.084 4.255 . 0 0 "[ . 1 ]" 1
412 2 55 SER QB 2 57 TYR H 4.490 . 4.990 3.452 2.460 3.999 . 0 0 "[ . 1 ]" 1
413 2 57 TYR H 2 57 TYR HB3 3.730 . 4.230 3.719 3.565 3.816 . 0 0 "[ . 1 ]" 1
414 2 57 TYR H 2 57 TYR HB2 3.610 . 4.110 2.585 2.384 2.696 . 0 0 "[ . 1 ]" 1
415 2 56 LEU QB 2 57 TYR H 4.360 . 4.860 3.543 3.104 3.799 . 0 0 "[ . 1 ]" 1
416 2 56 LEU QD 2 57 TYR H 6.500 . 6.990 4.150 3.912 4.360 . 0 0 "[ . 1 ]" 1
417 2 104 ALA H 2 106 GLU H 4.880 . 5.380 4.328 4.143 4.485 . 0 0 "[ . 1 ]" 1
418 2 106 GLU H 2 107 ARG H 3.140 . 3.640 2.592 2.541 2.647 . 0 0 "[ . 1 ]" 1
419 2 106 GLU H 2 107 ARG HA 5.300 . 5.800 5.235 5.179 5.311 . 0 0 "[ . 1 ]" 1
420 2 106 GLU H 2 106 GLU HG3 3.740 . 4.240 2.940 2.335 3.688 . 0 0 "[ . 1 ]" 1
421 2 106 GLU H 2 106 GLU QB 3.420 . 3.920 2.203 2.138 2.230 . 0 0 "[ . 1 ]" 1
422 2 105 LYS HB3 2 106 GLU H 4.020 . 4.520 2.530 2.093 4.055 . 0 0 "[ . 1 ]" 1
423 2 105 LYS QD 2 106 GLU H 4.620 . 5.120 3.905 3.217 4.135 . 0 0 "[ . 1 ]" 1
424 2 105 LYS HG3 2 106 GLU H 4.920 . 5.420 4.143 1.801 4.431 . 0 0 "[ . 1 ]" 1
425 2 105 LYS HG2 2 106 GLU H 5.210 . 5.710 3.355 3.114 4.734 . 0 0 "[ . 1 ]" 1
426 2 54 LEU HA 2 55 SER H 2.980 . 3.480 2.845 2.108 3.042 . 0 0 "[ . 1 ]" 1
427 2 55 SER H 2 116 ARG QD 5.540 . 6.040 4.029 3.300 4.749 . 0 0 "[ . 1 ]" 1
428 2 54 LEU HB3 2 55 SER H 4.640 . 5.140 4.269 1.806 4.657 . 0 0 "[ . 1 ]" 1
429 2 54 LEU MD2 2 55 SER H 5.080 . 5.580 4.321 1.747 5.417 0.053 11 0 "[ . 1 ]" 1
430 2 54 LEU MD1 2 55 SER H 6.200 . 6.700 4.300 3.002 5.572 . 0 0 "[ . 1 ]" 1
431 2 75 ASP H 2 94 TYR HB2 3.730 . 4.230 2.137 1.992 2.243 . 0 0 "[ . 1 ]" 1
432 2 75 ASP H 2 96 GLU HG2 5.120 . 5.620 5.182 5.142 5.229 . 0 0 "[ . 1 ]" 1
433 2 74 ALA H 2 75 ASP H 3.340 . 3.840 2.142 1.909 2.390 . 0 0 "[ . 1 ]" 1
434 2 75 ASP H 2 94 TYR H 3.940 . 4.440 2.945 2.831 3.016 . 0 0 "[ . 1 ]" 1
435 2 75 ASP H 2 93 VAL HA 4.860 . 5.360 4.883 4.723 4.941 . 0 0 "[ . 1 ]" 1
436 2 73 ILE HA 2 75 ASP H 4.130 . 4.630 4.131 4.043 4.183 . 0 0 "[ . 1 ]" 1
437 2 75 ASP H 2 94 TYR HB3 3.440 . 3.940 3.498 3.459 3.560 . 0 0 "[ . 1 ]" 1
438 2 75 ASP H 2 75 ASP HB3 4.030 . 4.530 3.794 3.349 3.948 . 0 0 "[ . 1 ]" 1
439 2 75 ASP H 2 75 ASP HB2 3.840 . 4.340 2.952 2.875 3.103 . 0 0 "[ . 1 ]" 1
440 2 73 ILE HB 2 75 ASP H 4.910 . 5.410 4.877 4.728 4.950 . 0 0 "[ . 1 ]" 1
441 2 74 ALA MB 2 75 ASP H 4.260 . 4.760 2.409 2.316 2.516 . 0 0 "[ . 1 ]" 1
442 2 73 ILE MG 2 75 ASP H 4.180 . 4.680 2.503 2.374 2.633 . 0 0 "[ . 1 ]" 1
443 2 75 ASP H 2 93 VAL MG2 5.800 . 6.300 6.056 5.905 6.159 . 0 0 "[ . 1 ]" 1
444 2 75 ASP H 2 94 TYR QD 5.130 . 5.630 3.847 3.394 4.049 . 0 0 "[ . 1 ]" 1
445 2 92 PHE H 2 93 VAL H 4.820 . 5.320 4.420 4.377 4.495 . 0 0 "[ . 1 ]" 1
446 2 92 PHE H 2 92 PHE QD 4.660 . 5.160 3.238 2.747 3.739 . 0 0 "[ . 1 ]" 1
447 2 91 ALA HA 2 92 PHE H 3.280 . 3.780 2.380 2.290 2.471 . 0 0 "[ . 1 ]" 1
448 2 77 SER HB3 2 92 PHE H 4.550 . 5.050 3.002 2.825 3.186 . 0 0 "[ . 1 ]" 1
449 2 78 ILE HA 2 92 PHE H 3.930 . 4.430 3.407 3.192 3.771 . 0 0 "[ . 1 ]" 1
450 2 92 PHE H 2 92 PHE HB3 4.070 . 4.570 3.863 3.799 3.929 . 0 0 "[ . 1 ]" 1
451 2 92 PHE H 2 92 PHE HB2 4.060 . 4.560 2.796 2.676 2.963 . 0 0 "[ . 1 ]" 1
452 2 91 ALA MB 2 92 PHE H 4.140 . 4.640 2.255 2.094 2.389 . 0 0 "[ . 1 ]" 1
453 2 51 VAL MG2 2 92 PHE H 6.430 . 6.930 4.947 4.262 5.342 . 0 0 "[ . 1 ]" 1
454 2 79 VAL H 2 92 PHE H 4.720 . 5.220 4.759 4.429 4.899 . 0 0 "[ . 1 ]" 1
455 2 78 ILE HG13 2 92 PHE H 5.500 . 6.000 4.538 4.314 4.710 . 0 0 "[ . 1 ]" 1
456 2 122 PHE HB3 2 123 SER H 4.560 . 5.060 2.911 2.405 3.296 . 0 0 "[ . 1 ]" 1
457 2 122 PHE HB2 2 123 SER H 4.830 . 5.330 4.063 3.742 4.255 . 0 0 "[ . 1 ]" 1
458 2 49 LEU HA 2 123 SER H 4.060 . 4.560 3.026 2.326 3.924 . 0 0 "[ . 1 ]" 1
459 2 49 LEU MD1 2 123 SER H 5.980 . 6.480 4.492 4.055 5.112 . 0 0 "[ . 1 ]" 1
460 2 124 ILE MD 2 125 THR H 6.610 . 7.110 4.882 3.351 5.470 . 0 0 "[ . 1 ]" 1
461 2 124 ILE HB 2 125 THR H 4.900 . 5.400 3.866 2.827 4.445 . 0 0 "[ . 1 ]" 1
462 2 109 ASN H 2 111 MET H 4.930 . 5.430 4.378 4.102 4.520 . 0 0 "[ . 1 ]" 1
463 2 106 GLU HA 2 109 ASN H 5.130 . 5.630 4.107 3.732 4.346 . 0 0 "[ . 1 ]" 1
464 2 109 ASN H 2 109 ASN HB3 3.490 . 3.990 2.539 2.460 2.599 . 0 0 "[ . 1 ]" 1
465 2 109 ASN H 2 109 ASN HB2 3.540 . 4.040 2.432 2.327 2.514 . 0 0 "[ . 1 ]" 1
466 2 109 ASN H 2 120 VAL MG1 5.920 . 6.420 4.226 3.969 4.630 . 0 0 "[ . 1 ]" 1
467 2 82 GLN H 2 84 SER H 4.580 . 5.080 4.680 3.653 5.712 0.632 8 2 "[ .- + 1 ]" 1
468 2 84 SER H 2 85 ARG H 3.200 . 3.700 3.565 1.749 4.357 0.657 9 8 "[- *.***+1**]" 1
469 2 84 SER H 2 86 ARG H 4.940 . 5.440 3.928 3.116 5.014 . 0 0 "[ . 1 ]" 1
470 2 81 ASP QB 2 84 SER H 4.320 . 4.820 4.496 3.285 5.808 0.988 10 2 "[ . -+ ]" 1
471 2 83 GLN HG3 2 84 SER H 4.430 . 4.930 4.257 3.411 4.590 . 0 0 "[ . 1 ]" 1
472 2 83 GLN HB3 2 84 SER H 3.060 . 3.560 2.925 2.468 3.082 . 0 0 "[ . 1 ]" 1
473 2 84 SER H 2 85 ARG QB 4.800 . 5.300 5.211 3.474 6.286 0.986 11 7 "[ *.**-*1+*]" 1
474 2 90 PHE H 2 90 PHE QD 5.120 . 5.620 2.519 1.836 3.050 . 0 0 "[ . 1 ]" 1
475 2 78 ILE MG 2 90 PHE H 6.140 . 6.640 3.542 3.129 4.080 . 0 0 "[ . 1 ]" 1
476 2 88 ARG HB2 2 90 PHE H 4.810 . 5.310 3.475 3.097 4.097 . 0 0 "[ . 1 ]" 1
477 2 49 LEU HA 2 50 GLY H 3.290 . 3.790 2.743 2.586 2.821 . 0 0 "[ . 1 ]" 1
478 2 49 LEU HB3 2 50 GLY H 4.320 . 4.820 1.997 1.894 2.190 . 0 0 "[ . 1 ]" 1
479 2 49 LEU HB2 2 50 GLY H 3.960 . 4.460 3.342 3.206 3.559 . 0 0 "[ . 1 ]" 1
480 2 49 LEU MD1 2 50 GLY H 5.380 . 5.880 4.558 4.503 4.637 . 0 0 "[ . 1 ]" 1
481 2 50 GLY H 2 51 VAL MG2 6.210 . 6.710 4.306 4.176 4.512 . 0 0 "[ . 1 ]" 1
482 2 89 GLY H 2 90 PHE H 3.640 . 4.140 2.599 1.734 3.112 0.066 3 0 "[ . 1 ]" 1
483 2 88 ARG QD 2 89 GLY H 5.840 . 6.340 4.899 3.725 5.211 . 0 0 "[ . 1 ]" 1
484 2 88 ARG HB3 2 89 GLY H 5.000 . 5.500 3.540 1.759 4.033 0.041 10 0 "[ . 1 ]" 1
485 2 88 ARG QG 2 89 GLY H 5.410 . 5.910 4.024 3.850 4.150 . 0 0 "[ . 1 ]" 1
486 2 88 ARG HB2 2 89 GLY H 4.360 . 4.860 2.701 2.128 3.016 . 0 0 "[ . 1 ]" 1
487 2 56 LEU QD 2 89 GLY H 4.950 . 5.450 3.956 3.063 4.255 . 0 0 "[ . 1 ]" 1
488 2 71 GLY H 2 104 ALA MB 6.610 . 7.110 4.488 4.310 4.758 . 0 0 "[ . 1 ]" 1
489 2 68 SER H 2 71 GLY H 5.310 . 5.810 5.157 5.033 5.222 . 0 0 "[ . 1 ]" 1
490 2 69 LYS H 2 71 GLY H 4.750 . 5.250 3.914 3.779 4.076 . 0 0 "[ . 1 ]" 1
491 2 69 LYS HB2 2 71 GLY H 5.280 . 5.780 5.087 4.884 5.320 . 0 0 "[ . 1 ]" 1
492 2 70 TYR H 2 71 GLY H 3.350 . 3.850 2.430 2.190 2.637 . 0 0 "[ . 1 ]" 1
493 2 70 TYR HB3 2 71 GLY H 4.310 . 4.810 4.180 4.109 4.274 . 0 0 "[ . 1 ]" 1
494 2 70 TYR HB2 2 71 GLY H 4.120 . 4.620 3.363 3.243 3.478 . 0 0 "[ . 1 ]" 1
495 2 71 GLY H 2 73 ILE MD 6.270 . 6.770 4.183 3.936 4.431 . 0 0 "[ . 1 ]" 1
496 2 114 ASP H 2 115 GLY H 3.660 . 4.160 1.836 1.755 2.042 0.045 2 0 "[ . 1 ]" 1
497 2 113 LEU H 2 115 GLY H 4.650 . 5.150 2.626 2.149 3.421 . 0 0 "[ . 1 ]" 1
498 2 115 GLY H 2 116 ARG H 3.490 . 3.990 2.540 2.411 2.712 . 0 0 "[ . 1 ]" 1
499 2 114 ASP HA 2 115 GLY H 3.300 . 3.800 3.189 3.052 3.292 . 0 0 "[ . 1 ]" 1
500 2 114 ASP HB2 2 115 GLY H 4.620 . 5.120 4.455 4.372 4.503 . 0 0 "[ . 1 ]" 1
501 2 112 GLU HG2 2 115 GLY H 4.370 . 4.870 2.741 2.509 3.069 . 0 0 "[ . 1 ]" 1
502 2 113 LEU MD2 2 115 GLY H 6.430 . 6.930 5.606 4.877 6.168 . 0 0 "[ . 1 ]" 1
503 2 113 LEU HA 2 115 GLY H 4.520 . 5.020 4.272 3.296 4.446 . 0 0 "[ . 1 ]" 1
504 2 114 ASP HB3 2 115 GLY H 4.740 . 5.240 4.036 3.669 4.432 . 0 0 "[ . 1 ]" 1
505 2 58 THR HB 2 59 THR H 4.430 . 4.930 3.687 3.390 3.889 . 0 0 "[ . 1 ]" 1
506 2 66 VAL HA 2 69 LYS QE 5.020 . 5.520 2.274 1.844 4.492 . 0 0 "[ . 1 ]" 1
507 2 77 SER HB3 2 78 ILE H 4.160 . 4.660 3.886 3.737 4.009 . 0 0 "[ . 1 ]" 1
508 2 77 SER H 2 77 SER HB3 3.970 . 4.470 2.874 2.773 2.945 . 0 0 "[ . 1 ]" 1
509 2 77 SER HB3 2 91 ALA MB 5.510 . 6.010 4.652 4.622 4.698 . 0 0 "[ . 1 ]" 1
510 2 77 SER H 2 77 SER HB2 3.750 . 4.250 3.342 3.278 3.414 . 0 0 "[ . 1 ]" 1
511 2 77 SER HB2 2 78 ILE H 4.160 . 4.660 4.084 3.965 4.164 . 0 0 "[ . 1 ]" 1
512 2 77 SER HB2 2 92 PHE HB2 4.420 . 4.920 3.635 3.343 3.864 . 0 0 "[ . 1 ]" 1
513 2 65 GLU HB2 2 66 VAL HA 4.180 . 4.680 4.139 4.000 4.190 . 0 0 "[ . 1 ]" 1
514 2 98 VAL HA 2 101 ALA H 4.160 . 4.660 2.446 2.348 2.602 . 0 0 "[ . 1 ]" 1
515 2 98 VAL HA 2 101 ALA MB 4.530 . 5.030 1.921 1.867 1.952 . 0 0 "[ . 1 ]" 1
516 2 98 VAL HA 2 101 ALA HA 4.330 . 4.830 4.417 4.390 4.457 . 0 0 "[ . 1 ]" 1
517 2 77 SER HB3 2 92 PHE QD 4.890 . 5.390 2.524 2.087 3.101 . 0 0 "[ . 1 ]" 1
518 2 98 VAL HA 2 100 ASP H 4.800 . 5.300 3.158 2.973 3.365 . 0 0 "[ . 1 ]" 1
519 2 58 THR HA 2 62 ASP HB2 4.480 . 4.980 4.511 4.322 4.609 . 0 0 "[ . 1 ]" 1
520 2 58 THR HA 2 62 ASP HB3 4.730 . 5.230 4.181 3.926 4.554 . 0 0 "[ . 1 ]" 1
521 2 87 SER QB 2 88 ARG H 4.730 . 5.230 2.823 1.909 3.450 . 0 0 "[ . 1 ]" 1
522 2 80 TYR HA 2 87 SER QB 2.950 . 3.450 3.817 2.740 4.104 0.654 6 8 "[ ***.+-**1 *]" 1
523 2 86 ARG HA 2 87 SER QB 4.530 . 5.030 4.659 4.161 5.229 0.199 8 0 "[ . 1 ]" 1
524 2 55 SER QB 2 114 ASP HB3 4.290 . 4.790 3.336 2.317 3.815 . 0 0 "[ . 1 ]" 1
525 2 55 SER QB 2 116 ARG QD 5.170 . 5.670 3.520 2.474 4.163 . 0 0 "[ . 1 ]" 1
526 2 54 LEU MD2 2 55 SER QB 7.090 . 7.590 5.569 2.606 6.665 . 0 0 "[ . 1 ]" 1
527 2 55 SER QB 2 56 LEU QB 6.660 . 7.160 5.172 4.534 5.444 . 0 0 "[ . 1 ]" 1
528 2 68 SER HB2 2 73 ILE MD 5.480 . 5.980 3.682 3.452 4.587 . 0 0 "[ . 1 ]" 1
529 2 67 PHE HA 2 70 TYR QE 4.330 . 4.830 3.803 3.562 3.920 . 0 0 "[ . 1 ]" 1
530 2 45 PRO HA 2 46 ASN H 2.930 . 3.430 2.498 2.236 3.175 . 0 0 "[ . 1 ]" 1
531 2 72 PRO HA 2 73 ILE H 3.430 . 3.930 2.379 2.305 2.442 . 0 0 "[ . 1 ]" 1
532 2 67 PHE H 2 68 SER HB3 4.580 . 5.080 4.385 4.203 4.579 . 0 0 "[ . 1 ]" 1
533 2 68 SER H 2 68 SER HB3 3.770 . 4.270 2.470 2.423 2.546 . 0 0 "[ . 1 ]" 1
534 2 68 SER HB3 2 69 LYS H 4.860 . 5.360 3.456 3.207 4.310 . 0 0 "[ . 1 ]" 1
535 2 68 SER HB3 2 73 ILE MD 5.400 . 5.900 4.411 3.768 4.548 . 0 0 "[ . 1 ]" 1
536 2 68 SER HB3 2 73 ILE HG13 4.660 . 5.160 3.910 2.467 4.385 . 0 0 "[ . 1 ]" 1
537 2 67 PHE HA 2 67 PHE QD 4.250 . 4.750 3.048 2.945 3.120 . 0 0 "[ . 1 ]" 1
538 2 67 PHE HA 2 70 TYR QD 3.830 . 4.330 2.214 2.122 2.410 . 0 0 "[ . 1 ]" 1
539 2 67 PHE HA 2 73 ILE MD 5.930 . 6.430 3.855 3.795 3.931 . 0 0 "[ . 1 ]" 1
540 2 68 SER HB2 2 69 LYS H 4.670 . 5.170 4.290 4.204 4.342 . 0 0 "[ . 1 ]" 1
541 2 79 VAL HA 2 80 TYR QD 5.200 . 5.700 3.360 2.508 4.240 . 0 0 "[ . 1 ]" 1
542 2 76 VAL HA 2 77 SER HB2 4.310 . 4.810 4.297 4.266 4.333 . 0 0 "[ . 1 ]" 1
543 2 76 VAL HA 2 77 SER H 3.180 . 3.680 2.367 2.322 2.523 . 0 0 "[ . 1 ]" 1
544 2 76 VAL HA 2 93 VAL MG2 5.040 . 5.540 3.304 3.094 3.530 . 0 0 "[ . 1 ]" 1
545 2 68 SER HA 2 71 GLY H 3.950 . 4.450 3.292 3.088 3.415 . 0 0 "[ . 1 ]" 1
546 2 68 SER HA 2 73 ILE HG13 4.010 . 4.510 3.047 2.690 3.368 . 0 0 "[ . 1 ]" 1
547 2 68 SER HA 2 73 ILE HG12 3.690 . 4.190 2.356 2.188 2.619 . 0 0 "[ . 1 ]" 1
548 2 68 SER HA 2 73 ILE MD 4.620 . 5.120 2.544 2.392 2.787 . 0 0 "[ . 1 ]" 1
549 2 68 SER HA 2 73 ILE H 4.640 . 5.140 4.684 4.664 4.712 . 0 0 "[ . 1 ]" 1
550 2 73 ILE MG 2 93 VAL HA 5.860 . 6.360 4.381 4.085 4.543 . 0 0 "[ . 1 ]" 1
551 2 77 SER H 2 93 VAL HA 4.170 . 4.670 3.571 3.353 3.918 . 0 0 "[ . 1 ]" 1
552 2 93 VAL HA 2 94 TYR QD 5.030 . 5.530 3.410 2.770 3.859 . 0 0 "[ . 1 ]" 1
553 2 76 VAL HA 2 93 VAL HA 3.660 . 4.160 2.161 1.978 2.264 . 0 0 "[ . 1 ]" 1
554 2 76 VAL MG1 2 93 VAL HA 4.710 . 5.210 4.456 2.339 4.883 . 0 0 "[ . 1 ]" 1
555 2 78 ILE HA 2 91 ALA MB 4.120 . 4.620 2.643 2.497 2.830 . 0 0 "[ . 1 ]" 1
556 2 60 GLU HA 2 78 ILE HG13 4.690 . 5.190 3.538 3.127 3.831 . 0 0 "[ . 1 ]" 1
557 2 60 GLU HA 2 64 ARG H 4.720 . 5.220 4.146 3.703 4.470 . 0 0 "[ . 1 ]" 1
558 2 60 GLU HA 2 63 LEU H 4.200 . 4.700 3.421 2.997 3.604 . 0 0 "[ . 1 ]" 1
559 2 59 THR HA 2 60 GLU HA 4.410 . 4.910 4.315 4.174 4.360 . 0 0 "[ . 1 ]" 1
560 2 51 VAL HA 2 120 VAL HA 3.960 . 4.460 2.878 2.774 2.998 . 0 0 "[ . 1 ]" 1
561 2 64 ARG HA 2 76 VAL MG1 4.700 . 5.200 4.070 3.434 4.418 . 0 0 "[ . 1 ]" 1
562 2 102 LYS HA 2 102 LYS HG2 3.460 . 3.960 3.653 3.643 3.670 . 0 0 "[ . 1 ]" 1
563 2 98 VAL MG1 2 102 LYS HA 5.820 . 6.320 4.273 3.670 5.888 . 0 0 "[ . 1 ]" 1
564 2 105 LYS HA 2 106 GLU HA 4.880 . 5.380 4.664 4.555 4.723 . 0 0 "[ . 1 ]" 1
565 2 105 LYS HA 2 120 VAL HB 4.160 . 4.660 4.023 3.756 4.320 . 0 0 "[ . 1 ]" 1
566 2 105 LYS HA 2 105 LYS HG3 3.260 . 3.760 2.900 2.632 3.720 . 0 0 "[ . 1 ]" 1
567 2 51 VAL MG1 2 120 VAL HA 5.600 . 6.100 4.200 4.073 4.257 . 0 0 "[ . 1 ]" 1
568 2 51 VAL MG2 2 120 VAL HA 5.580 . 6.080 3.722 3.392 3.931 . 0 0 "[ . 1 ]" 1
569 2 120 VAL HA 2 121 ASP H 3.210 . 3.710 2.114 2.069 2.191 . 0 0 "[ . 1 ]" 1
570 2 65 GLU HA 2 66 VAL HA 4.430 . 4.930 4.619 4.597 4.642 . 0 0 "[ . 1 ]" 1
571 2 64 ARG HA 2 65 GLU HA 4.630 . 5.130 4.686 4.641 4.738 . 0 0 "[ . 1 ]" 1
572 2 105 LYS HA 2 105 LYS QE 5.460 . 5.960 3.848 2.027 4.455 . 0 0 "[ . 1 ]" 1
573 2 61 ARG HA 2 61 ARG HB3 2.950 . 3.450 2.564 2.523 2.681 . 0 0 "[ . 1 ]" 1
574 2 61 ARG HA 2 61 ARG HD3 4.740 . 5.240 4.240 2.029 4.743 . 0 0 "[ . 1 ]" 1
575 2 70 TYR HA 2 104 ALA MB 6.080 . 6.580 4.396 4.195 4.573 . 0 0 "[ . 1 ]" 1
576 2 95 PHE HA 2 96 GLU HA 4.510 . 5.010 4.409 4.333 4.473 . 0 0 "[ . 1 ]" 1
577 2 96 GLU HA 2 96 GLU HG2 3.000 . 3.500 2.934 2.593 3.358 . 0 0 "[ . 1 ]" 1
578 2 74 ALA MB 2 96 GLU HA 5.000 . 5.500 3.378 2.724 4.015 . 0 0 "[ . 1 ]" 1
579 2 73 ILE HA 2 74 ALA MB 5.460 . 5.960 3.991 3.933 4.056 . 0 0 "[ . 1 ]" 1
580 2 73 ILE HA 2 95 PHE HA 3.640 . 4.140 2.546 2.313 2.959 . 0 0 "[ . 1 ]" 1
581 2 96 GLU HA 2 98 VAL MG2 6.260 . 6.760 5.396 4.014 6.418 . 0 0 "[ . 1 ]" 1
582 2 106 GLU HA 2 109 ASN HB3 4.140 . 4.640 3.958 3.308 4.221 . 0 0 "[ . 1 ]" 1
583 2 82 GLN HA 2 82 GLN HG2 3.610 . 4.110 2.885 2.434 3.717 . 0 0 "[ . 1 ]" 1
584 2 106 GLU HA 2 106 GLU HG2 3.560 . 4.060 2.575 2.367 2.874 . 0 0 "[ . 1 ]" 1
585 2 105 LYS HB3 2 106 GLU HA 4.390 . 4.890 4.330 3.841 5.131 0.241 11 0 "[ . 1 ]" 1
586 2 105 LYS QD 2 106 GLU HA 4.910 . 5.410 4.146 2.434 4.411 . 0 0 "[ . 1 ]" 1
587 2 83 GLN HA 2 83 GLN HB3 2.840 . 3.340 2.632 2.511 2.998 . 0 0 "[ . 1 ]" 1
588 2 80 TYR QD 2 87 SER HA 4.760 . 5.260 3.657 2.794 4.948 . 0 0 "[ . 1 ]" 1
589 2 83 GLN HA 2 83 GLN HG2 3.510 . 4.010 2.908 2.313 3.653 . 0 0 "[ . 1 ]" 1
590 2 39 ASN HA 2 40 ARG HA 4.820 . 5.320 4.412 4.184 4.570 . 0 0 "[ . 1 ]" 1
591 2 69 LYS HA 2 69 LYS HB2 3.000 . 3.500 2.882 2.372 3.042 . 0 0 "[ . 1 ]" 1
592 2 80 TYR H 2 87 SER HA 4.970 . 5.470 5.382 4.279 6.072 0.602 6 1 "[ .+ 1 ]" 1
593 2 80 TYR HA 2 87 SER HA 3.470 . 3.970 4.361 2.690 6.790 2.820 3 4 "[ *+ - * ]" 1
594 2 62 ASP HA 2 62 ASP HB2 2.940 . 3.440 2.550 2.529 2.630 . 0 0 "[ . 1 ]" 1
595 2 63 LEU HA 2 67 PHE QE 4.990 . 5.490 3.394 2.657 3.961 . 0 0 "[ . 1 ]" 1
596 2 69 LYS HA 2 71 GLY H 4.880 . 5.380 4.040 3.829 4.325 . 0 0 "[ . 1 ]" 1
597 2 69 LYS HA 2 69 LYS QE 5.110 . 5.610 4.345 4.282 4.364 . 0 0 "[ . 1 ]" 1
598 2 49 LEU H 2 94 TYR HA 4.440 . 4.940 3.195 2.606 3.631 . 0 0 "[ . 1 ]" 1
599 2 57 TYR HA 2 57 TYR QE 5.200 . 5.700 4.569 4.440 4.648 . 0 0 "[ . 1 ]" 1
600 2 62 ASP HA 2 65 GLU HB2 3.570 . 4.070 3.586 3.535 3.621 . 0 0 "[ . 1 ]" 1
601 2 70 TYR QE 2 107 ARG HA 5.310 . 5.810 4.743 4.610 4.772 . 0 0 "[ . 1 ]" 1
602 2 107 ARG HA 2 107 ARG HG2 3.400 . 3.900 2.854 2.759 2.907 . 0 0 "[ . 1 ]" 1
603 2 63 LEU HA 2 76 VAL MG1 6.550 . 7.050 6.141 4.727 6.814 . 0 0 "[ . 1 ]" 1
604 2 84 SER H 2 85 ARG HA 4.340 . 4.840 5.133 4.368 6.099 1.259 12 4 "[* . * 1-+]" 1
605 2 85 ARG HA 2 85 ARG HG2 3.460 . 3.960 2.580 2.323 3.022 . 0 0 "[ . 1 ]" 1
606 2 55 SER HA 2 116 ARG QD 4.650 . 5.150 2.269 1.938 3.099 . 0 0 "[ . 1 ]" 1
607 2 55 SER HA 2 56 LEU QD 6.230 . 6.730 3.680 3.079 4.121 . 0 0 "[ . 1 ]" 1
608 2 76 VAL MG1 2 77 SER HA 5.130 . 5.630 3.933 3.536 5.458 . 0 0 "[ . 1 ]" 1
609 2 56 LEU HA 2 58 THR H 4.570 . 5.070 3.753 3.402 4.172 . 0 0 "[ . 1 ]" 1
610 2 56 LEU HA 2 56 LEU HG 4.070 . 4.570 2.706 2.271 3.769 . 0 0 "[ . 1 ]" 1
611 2 117 ARG HA 2 118 ILE MG 6.330 . 6.830 3.506 2.903 3.869 . 0 0 "[ . 1 ]" 1
612 2 111 MET HA 2 118 ILE MD 6.080 . 6.580 5.137 5.121 5.175 . 0 0 "[ . 1 ]" 1
613 2 52 PHE HA 2 90 PHE HA 4.660 . 5.160 3.609 3.041 4.023 . 0 0 "[ . 1 ]" 1
614 2 109 ASN HA 2 110 GLY H 3.300 . 3.800 2.502 2.177 3.400 . 0 0 "[ . 1 ]" 1
615 2 108 ALA MB 2 109 ASN HA 6.240 . 6.740 4.071 3.999 4.133 . 0 0 "[ . 1 ]" 1
616 2 109 ASN HA 2 120 VAL MG1 4.490 . 4.990 3.877 3.762 4.054 . 0 0 "[ . 1 ]" 1
617 2 112 GLU HA 2 113 LEU HB2 5.100 . 5.600 4.523 4.432 4.743 . 0 0 "[ . 1 ]" 1
618 2 112 GLU HA 2 115 GLY H 4.380 . 4.880 3.725 3.311 4.422 . 0 0 "[ . 1 ]" 1
619 2 112 GLU HA 2 118 ILE H 4.140 . 4.640 4.107 3.940 4.197 . 0 0 "[ . 1 ]" 1
620 2 112 GLU HA 2 118 ILE MG 6.110 . 6.610 4.092 3.715 4.249 . 0 0 "[ . 1 ]" 1
621 2 86 ARG HA 2 87 SER HA 4.470 . 4.970 4.531 4.204 5.070 0.100 6 0 "[ . 1 ]" 1
622 2 101 ALA HA 2 105 LYS H 4.790 . 5.290 4.622 4.449 4.830 . 0 0 "[ . 1 ]" 1
623 2 113 LEU HA 2 113 LEU MD2 4.440 . 4.940 3.769 3.567 3.898 . 0 0 "[ . 1 ]" 1
624 2 95 PHE QD 2 101 ALA HA 4.830 . 5.330 3.550 2.885 4.328 . 0 0 "[ . 1 ]" 1
625 2 104 ALA HA 2 107 ARG HB2 4.820 . 5.320 2.991 2.704 3.236 . 0 0 "[ . 1 ]" 1
626 2 70 TYR HB2 2 104 ALA HA 4.510 . 5.010 3.191 2.809 3.779 . 0 0 "[ . 1 ]" 1
627 2 70 TYR QD 2 104 ALA HA 4.640 . 5.140 3.164 2.877 3.304 . 0 0 "[ . 1 ]" 1
628 2 70 TYR QE 2 104 ALA HA 5.200 . 5.700 4.213 4.014 4.343 . 0 0 "[ . 1 ]" 1
629 2 54 LEU HA 2 56 LEU QD 5.460 . 5.960 2.698 1.915 4.624 . 0 0 "[ . 1 ]" 1
630 2 54 LEU HA 2 116 ARG QD 5.540 . 6.040 4.904 4.535 5.064 . 0 0 "[ . 1 ]" 1
631 2 73 ILE MG 2 74 ALA HA 5.790 . 6.290 3.860 3.724 4.146 . 0 0 "[ . 1 ]" 1
632 2 41 ALA HA 2 42 ASN HB2 4.660 . 5.160 4.518 4.067 4.836 . 0 0 "[ . 1 ]" 1
633 2 74 ALA HA 2 96 GLU HG2 4.340 . 4.840 3.106 2.556 3.440 . 0 0 "[ . 1 ]" 1
634 2 49 LEU HA 2 105 LYS QE 5.310 . 5.810 4.588 3.971 4.932 . 0 0 "[ . 1 ]" 1
635 2 108 ALA HA 2 111 MET HG3 4.660 . 5.160 4.622 3.850 5.105 . 0 0 "[ . 1 ]" 1
636 2 108 ALA HA 2 111 MET HB3 4.110 . 4.610 2.811 2.220 3.486 . 0 0 "[ . 1 ]" 1
637 2 108 ALA HA 2 111 MET HB2 4.200 . 4.700 4.212 3.823 4.719 0.019 2 0 "[ . 1 ]" 1
638 2 97 ASN HA 2 98 VAL HA 4.610 . 5.110 4.476 4.360 4.696 . 0 0 "[ . 1 ]" 1
639 2 97 ASN HA 2 98 VAL MG2 5.030 . 5.530 3.803 3.259 5.617 0.087 3 0 "[ . 1 ]" 1
640 2 78 ILE HA 2 91 ALA HA 3.470 . 3.970 1.954 1.869 2.085 . 0 0 "[ . 1 ]" 1
641 2 78 ILE HG13 2 91 ALA HA 4.330 . 4.830 4.398 4.342 4.444 . 0 0 "[ . 1 ]" 1
642 2 78 ILE MG 2 91 ALA HA 5.610 . 6.110 3.441 3.298 3.622 . 0 0 "[ . 1 ]" 1
643 2 88 ARG HB2 2 89 GLY HA3 5.090 . 5.590 4.984 4.532 5.186 . 0 0 "[ . 1 ]" 1
644 2 56 LEU QB 2 89 GLY HA3 5.050 . 5.550 4.192 3.133 4.592 . 0 0 "[ . 1 ]" 1
645 2 56 LEU QD 2 89 GLY HA3 5.210 . 5.710 2.029 1.795 2.173 0.005 9 0 "[ . 1 ]" 1
646 2 88 ARG HB2 2 89 GLY HA2 4.780 . 5.280 4.841 4.757 4.902 . 0 0 "[ . 1 ]" 1
647 2 56 LEU QD 2 89 GLY HA2 5.180 . 5.680 2.910 1.813 3.531 . 0 0 "[ . 1 ]" 1
648 2 56 LEU QB 2 89 GLY HA2 4.980 . 5.480 4.375 4.105 4.601 . 0 0 "[ . 1 ]" 1
649 2 114 ASP H 2 115 GLY HA3 4.380 . 4.880 4.463 4.432 4.486 . 0 0 "[ . 1 ]" 1
650 2 121 ASP HB3 2 122 PHE H 4.260 . 4.760 3.396 2.949 3.550 . 0 0 "[ . 1 ]" 1
651 2 50 GLY QA 2 92 PHE HB3 4.360 . 4.860 3.549 2.924 3.783 . 0 0 "[ . 1 ]" 1
652 2 113 LEU H 2 113 LEU HB3 4.140 . 4.640 2.685 2.509 2.824 . 0 0 "[ . 1 ]" 1
653 2 50 GLY QA 2 51 VAL MG1 6.810 . 7.310 4.926 4.875 4.985 . 0 0 "[ . 1 ]" 1
654 2 113 LEU HB2 2 118 ILE MG 5.060 . 5.560 3.510 3.140 4.094 . 0 0 "[ . 1 ]" 1
655 2 74 ALA MB 2 75 ASP HB3 5.640 . 6.140 4.612 4.199 4.757 . 0 0 "[ . 1 ]" 1
656 2 75 ASP HB3 2 76 VAL H 4.090 . 4.590 2.313 2.118 2.598 . 0 0 "[ . 1 ]" 1
657 2 75 ASP HB3 2 94 TYR QD . . 4.990 2.782 2.349 3.086 . 0 0 "[ . 1 ]" 1
658 2 75 ASP HB2 2 94 TYR QD 4.780 . 4.990 2.324 2.181 2.570 . 0 0 "[ . 1 ]" 1
659 2 74 ALA MB 2 75 ASP HB2 5.840 . 6.340 3.416 3.244 3.575 . 0 0 "[ . 1 ]" 1
660 2 81 ASP QB 2 88 ARG QD 4.910 . 5.410 5.958 3.629 8.386 2.976 3 5 "[ *+ .- * * ]" 1
661 2 81 ASP H 2 88 ARG QD 5.420 . 5.920 6.513 4.661 8.809 2.889 2 5 "[ +* * - * ]" 1
662 2 70 TYR QD 2 107 ARG QD 5.770 . 6.270 4.402 4.175 4.607 . 0 0 "[ . 1 ]" 1
663 2 70 TYR QE 2 107 ARG QD 4.740 . 5.240 2.947 2.495 3.785 . 0 0 "[ . 1 ]" 1
664 2 107 ARG HA 2 107 ARG QD 3.740 . 4.240 2.173 2.104 2.310 . 0 0 "[ . 1 ]" 1
665 2 56 LEU QD 2 116 ARG QD 5.990 . 6.490 4.093 3.419 4.475 . 0 0 "[ . 1 ]" 1
666 2 85 ARG HA 2 85 ARG QD 4.420 . 4.920 3.226 2.004 3.853 . 0 0 "[ . 1 ]" 1
667 2 49 LEU HB3 2 121 ASP HA 4.390 . 4.890 3.929 3.842 4.026 . 0 0 "[ . 1 ]" 1
668 2 49 LEU HB2 2 93 VAL MG2 6.160 . 6.660 4.563 4.104 5.072 . 0 0 "[ . 1 ]" 1
669 2 49 LEU HB2 2 121 ASP HA 5.340 . 5.840 5.454 5.404 5.518 . 0 0 "[ . 1 ]" 1
670 2 107 ARG H 2 107 ARG QD 4.460 . 4.960 3.941 3.873 3.987 . 0 0 "[ . 1 ]" 1
671 2 103 GLU HG2 2 107 ARG QD 5.040 . 5.540 4.186 3.750 4.514 . 0 0 "[ . 1 ]" 1
672 2 92 PHE HB3 2 94 TYR QE 5.350 . 5.550 3.153 2.603 3.767 . 0 0 "[ . 1 ]" 1
673 2 49 LEU HB2 2 95 PHE HB2 5.130 . 5.630 5.199 5.174 5.226 . 0 0 "[ . 1 ]" 1
674 2 92 PHE HB3 2 93 VAL H 4.490 . 4.990 2.680 2.486 2.793 . 0 0 "[ . 1 ]" 1
675 2 77 SER HB3 2 92 PHE HB2 4.590 . 5.090 2.242 1.944 2.416 . 0 0 "[ . 1 ]" 1
676 2 63 LEU HB2 2 76 VAL MG1 4.820 . 5.320 3.928 2.367 4.752 . 0 0 "[ . 1 ]" 1
677 2 117 ARG HA 2 117 ARG QD 4.410 . 4.910 2.645 1.955 3.027 . 0 0 "[ . 1 ]" 1
678 2 61 ARG HA 2 61 ARG HD2 4.440 . 4.940 4.020 2.628 4.594 . 0 0 "[ . 1 ]" 1
679 2 105 LYS QE 2 122 PHE H 4.560 . 5.060 2.142 1.646 2.952 0.154 11 0 "[ . 1 ]" 1
680 2 69 LYS QE 2 70 TYR QD 4.830 . 5.330 3.858 3.843 3.890 . 0 0 "[ . 1 ]" 1
681 2 105 LYS QE 2 121 ASP HA 3.390 . 3.890 2.391 1.690 2.715 0.110 7 0 "[ . 1 ]" 1
682 2 63 LEU HB3 2 64 ARG H 4.280 . 4.780 3.776 3.452 3.924 . 0 0 "[ . 1 ]" 1
683 2 60 GLU HA 2 63 LEU HB3 4.420 . 4.920 4.161 3.617 4.477 . 0 0 "[ . 1 ]" 1
684 2 63 LEU HB3 2 76 VAL MG1 4.950 . 5.450 4.614 2.763 5.713 0.263 1 0 "[ . 1 ]" 1
685 2 126 LYS HB2 2 126 LYS QE 3.550 . 4.050 2.582 1.967 3.013 . 0 0 "[ . 1 ]" 1
686 2 90 PHE HB3 2 91 ALA MB 5.980 . 6.480 5.231 5.081 5.315 . 0 0 "[ . 1 ]" 1
687 2 97 ASN HB3 2 98 VAL MG2 6.610 . 7.110 5.282 4.796 6.475 . 0 0 "[ . 1 ]" 1
688 2 97 ASN HB3 2 98 VAL H 4.480 . 4.980 3.583 3.034 4.375 . 0 0 "[ . 1 ]" 1
689 2 97 ASN HB3 2 101 ALA H 4.610 . 5.110 4.308 3.999 4.573 . 0 0 "[ . 1 ]" 1
690 2 52 PHE HA 2 90 PHE HB2 4.440 . 4.940 2.006 1.869 2.272 . 0 0 "[ . 1 ]" 1
691 2 97 ASN HB2 2 100 ASP H 4.730 . 5.230 4.301 3.913 4.782 . 0 0 "[ . 1 ]" 1
692 2 80 TYR QB 2 87 SER HA 3.910 . 4.410 3.715 1.917 6.859 2.449 3 4 "[ -+ * * ]" 1
693 2 100 ASP HB2 2 101 ALA H 4.540 . 5.040 3.348 2.953 4.197 . 0 0 "[ . 1 ]" 1
694 2 122 PHE H 2 122 PHE HB2 4.030 . 4.530 2.478 2.406 2.584 . 0 0 "[ . 1 ]" 1
695 2 95 PHE HB2 2 101 ALA MB 5.330 . 5.830 2.776 2.379 3.276 . 0 0 "[ . 1 ]" 1
696 2 55 SER QB 2 114 ASP HB2 4.060 . 4.560 3.459 2.386 3.710 . 0 0 "[ . 1 ]" 1
697 2 100 ASP H 2 100 ASP HB2 4.100 . 4.600 2.879 2.596 3.922 . 0 0 "[ . 1 ]" 1
698 2 99 ASP HB3 2 100 ASP H 4.680 . 5.180 4.213 4.109 4.276 . 0 0 "[ . 1 ]" 1
699 2 113 LEU HG 2 114 ASP HB3 4.500 . 5.000 4.403 4.211 4.533 . 0 0 "[ . 1 ]" 1
700 2 55 SER HA 2 56 LEU QB 5.130 . 5.630 4.498 4.133 4.692 . 0 0 "[ . 1 ]" 1
701 2 95 PHE HB3 2 101 ALA MB 5.440 . 5.940 2.488 2.284 2.784 . 0 0 "[ . 1 ]" 1
702 2 99 ASP H 2 99 ASP HB3 3.580 . 4.080 3.569 3.558 3.579 . 0 0 "[ . 1 ]" 1
703 2 73 ILE HB 2 74 ALA HA 4.970 . 5.470 4.797 4.721 4.974 . 0 0 "[ . 1 ]" 1
704 2 75 ASP HB2 2 94 TYR HB3 4.190 . 4.690 3.494 3.166 4.098 . 0 0 "[ . 1 ]" 1
705 2 75 ASP HB2 2 94 TYR HB2 4.260 . 4.760 2.285 2.043 2.896 . 0 0 "[ . 1 ]" 1
706 2 74 ALA MB 2 94 TYR HB3 5.190 . 5.690 2.501 2.405 2.789 . 0 0 "[ . 1 ]" 1
707 2 39 ASN HB3 2 40 ARG H 4.480 . 4.980 3.627 2.348 4.403 . 0 0 "[ . 1 ]" 1
708 2 109 ASN HB2 2 120 VAL MG1 5.790 . 6.290 4.279 3.794 5.028 . 0 0 "[ . 1 ]" 1
709 2 41 ALA MB 2 42 ASN HB2 5.610 . 6.110 4.113 3.509 4.800 . 0 0 "[ . 1 ]" 1
710 2 70 TYR HB2 2 95 PHE QE 5.570 . 6.070 3.836 3.421 4.555 . 0 0 "[ . 1 ]" 1
711 2 70 TYR HB2 2 104 ALA MB 5.370 . 5.870 2.156 2.010 2.286 . 0 0 "[ . 1 ]" 1
712 2 78 ILE HB 2 79 VAL H 4.760 . 5.260 4.179 3.883 4.426 . 0 0 "[ . 1 ]" 1
713 2 78 ILE HB 2 80 TYR QE 4.610 . 5.110 3.048 2.683 3.378 . 0 0 "[ . 1 ]" 1
714 2 59 THR HA 2 78 ILE HB 4.830 . 5.330 4.825 4.731 4.914 . 0 0 "[ . 1 ]" 1
715 2 60 GLU HG3 2 78 ILE HB 4.630 . 5.130 3.195 2.817 3.451 . 0 0 "[ . 1 ]" 1
716 2 60 GLU HG2 2 78 ILE HG12 4.650 . 5.150 3.823 3.613 4.719 . 0 0 "[ . 1 ]" 1
717 2 60 GLU HG2 2 78 ILE H 4.450 . 4.950 3.804 3.353 4.161 . 0 0 "[ . 1 ]" 1
718 2 60 GLU HA 2 60 GLU HG2 4.090 . 4.590 2.648 2.455 4.200 . 0 0 "[ . 1 ]" 1
719 2 60 GLU HG2 2 78 ILE HB 4.940 . 5.440 3.894 3.355 4.204 . 0 0 "[ . 1 ]" 1
720 2 60 GLU HG2 2 76 VAL MG1 5.240 . 5.740 3.225 2.096 4.915 . 0 0 "[ . 1 ]" 1
721 2 60 GLU HA 2 60 GLU HG3 3.970 . 4.470 3.078 2.975 3.660 . 0 0 "[ . 1 ]" 1
722 2 60 GLU HG3 2 76 VAL MG1 5.340 . 5.840 4.493 3.610 6.255 0.415 6 0 "[ . 1 ]" 1
723 2 60 GLU HG2 2 78 ILE HG13 4.480 . 4.980 2.196 2.064 2.966 . 0 0 "[ . 1 ]" 1
724 2 60 GLU HG3 2 78 ILE HG12 4.930 . 5.430 3.952 3.806 4.135 . 0 0 "[ . 1 ]" 1
725 2 112 GLU HG3 2 115 GLY HA3 4.970 . 5.470 4.305 3.902 4.726 . 0 0 "[ . 1 ]" 1
726 2 112 GLU HG3 2 113 LEU H 4.290 . 4.790 3.255 2.984 3.818 . 0 0 "[ . 1 ]" 1
727 2 112 GLU HG3 2 115 GLY H 5.020 . 5.520 2.916 2.630 3.235 . 0 0 "[ . 1 ]" 1
728 2 112 GLU HA 2 112 GLU HG3 3.970 . 4.470 2.401 2.317 2.499 . 0 0 "[ . 1 ]" 1
729 2 112 GLU HG3 2 117 ARG H 4.620 . 5.120 3.614 2.706 4.066 . 0 0 "[ . 1 ]" 1
730 2 112 GLU HG2 2 116 ARG H 4.680 . 5.180 4.652 4.378 4.741 . 0 0 "[ . 1 ]" 1
731 2 112 GLU HA 2 112 GLU HG2 4.050 . 4.550 2.920 2.786 3.183 . 0 0 "[ . 1 ]" 1
732 2 95 PHE HA 2 96 GLU HG2 4.220 . 4.720 3.320 3.027 3.709 . 0 0 "[ . 1 ]" 1
733 2 65 GLU HG2 2 66 VAL H 4.750 . 5.250 4.786 4.090 4.877 . 0 0 "[ . 1 ]" 1
734 2 106 GLU HA 2 106 GLU HG3 3.720 . 4.220 3.242 2.851 3.711 . 0 0 "[ . 1 ]" 1
735 2 105 LYS QD 2 106 GLU HG3 5.150 . 5.650 3.547 2.196 4.469 . 0 0 "[ . 1 ]" 1
736 2 62 ASP HA 2 65 GLU HG3 4.680 . 5.180 3.710 3.243 4.693 . 0 0 "[ . 1 ]" 1
737 2 65 GLU HA 2 65 GLU HG3 3.690 . 4.190 3.235 3.037 3.794 . 0 0 "[ . 1 ]" 1
738 2 65 GLU HG3 2 66 VAL H 4.140 . 4.640 4.167 4.124 4.356 . 0 0 "[ . 1 ]" 1
739 2 65 GLU HG3 2 66 VAL MG2 6.160 . 6.660 4.760 4.354 4.873 . 0 0 "[ . 1 ]" 1
740 2 103 GLU HG2 2 104 ALA H 4.590 . 5.090 4.007 3.914 4.138 . 0 0 "[ . 1 ]" 1
741 2 65 GLU H 2 65 GLU HG2 3.810 . 4.310 3.314 2.200 3.506 . 0 0 "[ . 1 ]" 1
742 2 65 GLU HA 2 65 GLU HG2 3.770 . 4.270 2.478 2.403 2.926 . 0 0 "[ . 1 ]" 1
743 2 106 GLU H 2 106 GLU HG2 3.830 . 4.330 3.125 2.376 3.638 . 0 0 "[ . 1 ]" 1
744 2 103 GLU HG2 2 107 ARG HG2 4.990 . 5.490 2.985 2.509 3.424 . 0 0 "[ . 1 ]" 1
745 2 76 VAL HB 2 93 VAL HA 4.630 . 5.130 3.742 3.462 4.717 . 0 0 "[ . 1 ]" 1
746 2 76 VAL H 2 76 VAL HB 3.820 . 4.320 3.394 2.845 3.917 . 0 0 "[ . 1 ]" 1
747 2 109 ASN HA 2 120 VAL HB 4.220 . 4.720 2.227 2.052 2.555 . 0 0 "[ . 1 ]" 1
748 2 109 ASN H 2 120 VAL HB 4.540 . 5.040 3.469 3.342 3.682 . 0 0 "[ . 1 ]" 1
749 2 109 ASN HB2 2 120 VAL HB 4.280 . 4.780 3.323 2.597 4.299 . 0 0 "[ . 1 ]" 1
750 2 120 VAL HB 2 121 ASP H 4.880 . 5.380 4.296 4.229 4.396 . 0 0 "[ . 1 ]" 1
751 2 120 VAL H 2 120 VAL HB 4.070 . 4.570 2.818 2.730 2.976 . 0 0 "[ . 1 ]" 1
752 2 83 GLN HA 2 83 GLN HG3 3.690 . 4.190 3.329 2.588 3.728 . 0 0 "[ . 1 ]" 1
753 2 83 GLN H 2 83 GLN HG2 4.210 . 4.710 3.090 2.174 4.017 . 0 0 "[ . 1 ]" 1
754 2 93 VAL HB 2 95 PHE QE 5.420 . 5.920 2.908 2.270 3.274 . 0 0 "[ . 1 ]" 1
755 2 49 LEU MD2 2 93 VAL HB 6.410 . 6.910 4.390 4.028 4.744 . 0 0 "[ . 1 ]" 1
756 2 67 PHE QE 2 93 VAL HB 5.530 . 6.030 3.877 3.199 4.599 . 0 0 "[ . 1 ]" 1
757 2 82 GLN HA 2 82 GLN HG3 3.840 . 4.340 3.451 3.189 3.847 . 0 0 "[ . 1 ]" 1
758 2 82 GLN H 2 82 GLN HG2 4.450 . 4.950 2.722 1.850 3.244 . 0 0 "[ . 1 ]" 1
759 2 49 LEU HB2 2 93 VAL HB 4.390 . 4.890 3.085 2.610 3.584 . 0 0 "[ . 1 ]" 1
760 2 82 GLN H 2 82 GLN HG3 4.240 . 4.740 2.292 1.918 2.847 . 0 0 "[ . 1 ]" 1
761 2 111 MET HB3 2 112 GLU H 3.820 . 4.320 3.909 3.699 4.069 . 0 0 "[ . 1 ]" 1
762 2 111 MET H 2 111 MET HB3 3.710 . 4.210 2.496 2.471 2.544 . 0 0 "[ . 1 ]" 1
763 2 111 MET HB3 2 118 ILE MD 6.040 . 6.540 4.230 4.113 4.370 . 0 0 "[ . 1 ]" 1
764 2 108 ALA MB 2 111 MET HB3 6.180 . 6.680 4.061 3.554 4.744 . 0 0 "[ . 1 ]" 1
765 2 111 MET HB2 2 118 ILE MD 5.740 . 6.240 4.392 4.294 4.482 . 0 0 "[ . 1 ]" 1
766 2 98 VAL MG1 2 102 LYS HB3 3.580 . 4.080 3.203 2.839 4.588 0.508 3 1 "[ + . 1 ]" 1
767 2 102 LYS HB3 2 103 GLU H 4.120 . 4.620 4.115 4.008 4.163 . 0 0 "[ . 1 ]" 1
768 2 98 VAL HA 2 102 LYS HB3 4.530 . 5.030 4.548 4.411 4.587 . 0 0 "[ . 1 ]" 1
769 2 102 LYS H 2 102 LYS HB2 3.880 . 4.380 3.582 3.570 3.593 . 0 0 "[ . 1 ]" 1
770 2 102 LYS HB2 2 103 GLU H 3.980 . 4.480 4.023 3.999 4.066 . 0 0 "[ . 1 ]" 1
771 2 45 PRO HB2 2 46 ASN H 3.870 . 4.370 2.906 2.061 4.056 . 0 0 "[ . 1 ]" 1
772 2 86 ARG QB 2 87 SER H 4.210 . 4.710 2.251 1.692 2.806 0.108 2 0 "[ . 1 ]" 1
773 2 97 ASN HA 2 98 VAL HB 4.600 . 5.100 4.625 4.596 4.718 . 0 0 "[ . 1 ]" 1
774 2 105 LYS H 2 105 LYS HB2 3.970 . 4.470 2.790 2.311 3.601 . 0 0 "[ . 1 ]" 1
775 2 69 LYS HB3 2 70 TYR H 4.410 . 4.910 3.885 3.655 4.141 . 0 0 "[ . 1 ]" 1
776 2 69 LYS H 2 69 LYS HB3 3.510 . 4.010 3.349 2.561 3.593 . 0 0 "[ . 1 ]" 1
777 2 69 LYS H 2 69 LYS HB2 3.580 . 4.080 2.695 2.301 3.623 . 0 0 "[ . 1 ]" 1
778 2 108 ALA MB 2 111 MET HG3 6.090 . 6.590 4.518 3.885 4.858 . 0 0 "[ . 1 ]" 1
779 2 111 MET HG3 2 118 ILE MD 5.180 . 5.680 2.434 2.186 2.695 . 0 0 "[ . 1 ]" 1
780 2 111 MET H 2 111 MET HG2 4.450 . 4.950 2.170 2.040 2.285 . 0 0 "[ . 1 ]" 1
781 2 107 ARG H 2 107 ARG HB3 4.010 . 4.510 3.552 3.528 3.574 . 0 0 "[ . 1 ]" 1
782 2 70 TYR QE 2 107 ARG HB3 4.650 . 5.150 2.419 2.193 2.624 . 0 0 "[ . 1 ]" 1
783 2 70 TYR QE 2 107 ARG HB2 4.690 . 5.190 2.974 2.748 3.184 . 0 0 "[ . 1 ]" 1
784 2 39 ASN HA 2 40 ARG HB3 4.010 . 4.510 4.149 4.053 4.276 . 0 0 "[ . 1 ]" 1
785 2 64 ARG QB 2 73 ILE MG 7.050 . 7.550 4.322 3.429 4.836 . 0 0 "[ . 1 ]" 1
786 2 64 ARG QB 2 76 VAL MG2 5.470 . 5.970 3.557 2.334 4.715 . 0 0 "[ . 1 ]" 1
787 2 61 ARG HB3 2 61 ARG HD3 3.860 . 4.360 3.371 2.506 3.786 . 0 0 "[ . 1 ]" 1
788 2 48 CYS HB2 2 94 TYR QD 5.250 . 5.550 4.176 2.941 4.587 . 0 0 "[ . 1 ]" 1
789 2 103 GLU QB 2 104 ALA MB 6.360 . 6.860 3.949 3.814 4.113 . 0 0 "[ . 1 ]" 1
790 2 77 SER HA 2 78 ILE HG13 4.940 . 5.440 3.797 3.654 3.951 . 0 0 "[ . 1 ]" 1
791 2 78 ILE HA 2 78 ILE HG13 4.140 . 4.640 3.067 2.984 3.128 . 0 0 "[ . 1 ]" 1
792 2 60 GLU HG3 2 78 ILE HG13 4.390 . 4.890 2.403 2.212 2.602 . 0 0 "[ . 1 ]" 1
793 2 105 LYS QD 2 121 ASP HA 4.120 . 4.620 3.513 2.589 3.743 . 0 0 "[ . 1 ]" 1
794 2 105 LYS QD 2 106 GLU HG2 5.200 . 5.700 3.398 2.873 3.923 . 0 0 "[ . 1 ]" 1
795 2 48 CYS HB3 2 123 SER QB 4.650 . 5.150 3.938 3.399 4.324 . 0 0 "[ . 1 ]" 1
796 2 48 CYS HB2 2 49 LEU H 4.790 . 5.290 4.269 3.794 4.528 . 0 0 "[ . 1 ]" 1
797 2 48 CYS HB2 2 94 TYR QE 5.460 . 5.550 3.783 2.190 4.536 . 0 0 "[ . 1 ]" 1
798 2 48 CYS HB2 2 123 SER QB 5.080 . 5.580 4.049 2.912 4.663 . 0 0 "[ . 1 ]" 1
799 2 65 GLU HB2 2 66 VAL MG1 6.500 . 7.000 5.266 5.049 5.384 . 0 0 "[ . 1 ]" 1
800 2 103 GLU QB 2 104 ALA H 4.360 . 4.860 2.741 2.639 2.860 . 0 0 "[ . 1 ]" 1
801 2 59 THR HA 2 78 ILE HG12 4.770 . 5.270 4.669 4.435 4.791 . 0 0 "[ . 1 ]" 1
802 2 65 GLU H 2 65 GLU HB3 3.700 . 4.200 3.611 3.565 3.679 . 0 0 "[ . 1 ]" 1
803 2 65 GLU HB3 2 66 VAL H 3.910 . 4.410 3.697 3.312 3.858 . 0 0 "[ . 1 ]" 1
804 2 65 GLU HB3 2 65 GLU HG3 2.790 . 3.290 2.970 2.537 3.019 . 0 0 "[ . 1 ]" 1
805 2 65 GLU HB3 2 66 VAL MG2 5.820 . 6.320 3.856 3.485 4.097 . 0 0 "[ . 1 ]" 1
806 2 83 GLN H 2 83 GLN HB3 3.460 . 3.960 3.418 2.724 3.623 . 0 0 "[ . 1 ]" 1
807 2 60 GLU H 2 60 GLU HB2 3.900 . 4.400 2.532 2.378 3.507 . 0 0 "[ . 1 ]" 1
808 2 60 GLU HB2 2 76 VAL MG1 5.120 . 5.620 3.888 2.100 6.062 0.442 6 0 "[ . 1 ]" 1
809 2 82 GLN HB3 2 83 GLN H 4.830 . 5.330 4.277 3.940 4.632 . 0 0 "[ . 1 ]" 1
810 2 81 ASP QB 2 88 ARG QG . . 4.610 4.841 1.999 7.780 3.170 3 5 "[ *+ .- * * ]" 1
811 2 47 CYS H 2 47 CYS HB3 4.200 . 4.700 3.543 2.547 3.869 . 0 0 "[ . 1 ]" 1
812 2 47 CYS HB3 2 98 VAL MG2 5.640 . 6.140 3.445 2.966 4.239 . 0 0 "[ . 1 ]" 1
813 2 47 CYS HB2 2 98 VAL MG2 5.790 . 6.290 4.274 3.451 4.994 . 0 0 "[ . 1 ]" 1
814 2 107 ARG HA 2 107 ARG HG3 3.880 . 4.380 3.762 3.742 3.792 . 0 0 "[ . 1 ]" 1
815 2 107 ARG H 2 107 ARG HG2 3.810 . 4.310 2.475 2.371 2.554 . 0 0 "[ . 1 ]" 1
816 2 85 ARG QB 2 85 ARG QD 2.890 . 3.390 2.097 2.043 2.126 . 0 0 "[ . 1 ]" 1
817 2 68 SER HB2 2 73 ILE HG13 4.060 . 4.560 2.712 2.374 3.737 . 0 0 "[ . 1 ]" 1
818 2 70 TYR QE 2 107 ARG HG2 5.480 . 5.980 4.044 3.794 4.312 . 0 0 "[ . 1 ]" 1
819 2 49 LEU HG 2 121 ASP HA 3.350 . 3.850 3.298 2.925 3.393 . 0 0 "[ . 1 ]" 1
820 2 61 ARG H 2 61 ARG QG 4.800 . 5.300 2.482 2.172 3.371 . 0 0 "[ . 1 ]" 1
821 2 67 PHE HB2 2 73 ILE HG13 5.000 . 5.500 3.883 3.650 4.138 . 0 0 "[ . 1 ]" 1
822 2 56 LEU H 2 56 LEU HG 4.010 . 4.510 3.476 2.143 3.815 . 0 0 "[ . 1 ]" 1
823 2 67 PHE HB3 2 73 ILE HG13 4.880 . 5.380 4.295 4.045 4.503 . 0 0 "[ . 1 ]" 1
824 2 49 LEU MD2 2 105 LYS H 5.100 . 5.600 3.267 2.464 3.852 . 0 0 "[ . 1 ]" 1
825 2 49 LEU MD2 2 95 PHE QD 6.540 . 7.040 3.378 2.844 3.767 . 0 0 "[ . 1 ]" 1
826 2 49 LEU MD2 2 95 PHE QE 6.160 . 6.660 2.728 2.459 3.060 . 0 0 "[ . 1 ]" 1
827 2 49 LEU MD2 2 105 LYS HA 5.380 . 5.880 2.818 2.400 3.136 . 0 0 "[ . 1 ]" 1
828 2 76 VAL MG1 2 91 ALA MB 5.940 . 6.440 5.425 3.472 6.000 . 0 0 "[ . 1 ]" 1
829 2 60 GLU HA 2 63 LEU HG 4.860 . 5.360 3.784 3.490 4.979 . 0 0 "[ . 1 ]" 1
830 2 124 ILE HG13 2 125 THR MG 6.030 . 6.530 4.914 4.403 5.101 . 0 0 "[ . 1 ]" 1
831 2 49 LEU MD2 2 93 VAL H 5.860 . 6.360 5.755 5.534 5.848 . 0 0 "[ . 1 ]" 1
832 2 49 LEU MD2 2 67 PHE QE 7.140 . 7.640 3.696 3.050 4.175 . 0 0 "[ . 1 ]" 1
833 2 79 VAL H 2 91 ALA MB 5.250 . 5.750 3.801 3.508 4.202 . 0 0 "[ . 1 ]" 1
834 2 90 PHE HA 2 91 ALA MB 5.620 . 6.120 3.448 3.245 3.678 . 0 0 "[ . 1 ]" 1
835 2 78 ILE HG13 2 91 ALA MB 4.400 . 4.900 3.237 3.161 3.352 . 0 0 "[ . 1 ]" 1
836 2 60 GLU HB2 2 63 LEU MD1 6.050 . 6.550 5.505 4.675 7.252 0.702 10 2 "[ .- + ]" 1
837 2 63 LEU HA 2 113 LEU MD1 5.340 . 5.840 4.931 3.745 6.222 0.382 6 0 "[ . 1 ]" 1
838 2 111 MET ME 2 113 LEU MD1 7.790 . 8.290 2.879 2.454 3.495 . 0 0 "[ . 1 ]" 1
839 2 66 VAL MG1 2 113 LEU MD1 5.080 . 5.580 3.389 2.114 4.529 . 0 0 "[ . 1 ]" 1
840 2 59 THR HA 2 63 LEU MD1 5.750 . 6.250 4.491 3.551 5.929 . 0 0 "[ . 1 ]" 1
841 2 60 GLU HA 2 63 LEU MD1 5.780 . 6.280 2.981 2.270 4.856 . 0 0 "[ . 1 ]" 1
842 2 58 THR MG 2 63 LEU MD1 5.830 . 6.330 2.427 1.737 2.919 0.063 3 0 "[ . 1 ]" 1
843 2 63 LEU MD1 2 76 VAL MG1 5.740 . 6.240 4.602 2.651 6.196 . 0 0 "[ . 1 ]" 1
844 2 102 LYS HG3 2 103 GLU H 4.230 . 4.730 2.692 2.596 2.870 . 0 0 "[ . 1 ]" 1
845 2 100 ASP HA 2 102 LYS HG3 4.820 . 5.320 4.233 3.821 4.754 . 0 0 "[ . 1 ]" 1
846 2 102 LYS HG2 2 103 GLU H 3.910 . 4.410 2.608 2.317 2.798 . 0 0 "[ . 1 ]" 1
847 2 111 MET HG2 2 118 ILE HG13 5.020 . 5.520 3.157 2.860 3.381 . 0 0 "[ . 1 ]" 1
848 2 118 ILE H 2 118 ILE HG12 4.800 . 5.300 2.102 1.952 2.288 . 0 0 "[ . 1 ]" 1
849 2 110 GLY H 2 118 ILE HG12 5.010 . 5.510 3.973 3.370 4.851 . 0 0 "[ . 1 ]" 1
850 2 125 THR H 2 126 LYS QG 5.300 . 5.800 4.428 3.968 4.782 . 0 0 "[ . 1 ]" 1
851 2 56 LEU HA 2 56 LEU QD . . 4.250 2.517 1.945 2.855 . 0 0 "[ . 1 ]" 1
852 2 55 SER H 2 56 LEU QD 5.580 . 6.080 2.964 1.989 3.411 . 0 0 "[ . 1 ]" 1
853 2 113 LEU MD2 2 114 ASP HA 5.490 . 5.990 4.861 3.347 5.766 . 0 0 "[ . 1 ]" 1
854 2 113 LEU MD2 2 114 ASP H 4.680 . 5.180 4.147 3.484 4.903 . 0 0 "[ . 1 ]" 1
855 2 113 LEU MD2 2 116 ARG H 6.430 . 6.930 5.825 5.533 6.845 . 0 0 "[ . 1 ]" 1
856 2 105 LYS HG3 2 106 GLU HA 4.320 . 4.820 4.435 3.827 4.675 . 0 0 "[ . 1 ]" 1
857 2 49 LEU MD1 2 122 PHE H 5.220 . 5.720 4.529 4.313 4.761 . 0 0 "[ . 1 ]" 1
858 2 49 LEU MD1 2 95 PHE QD 4.950 . 5.450 2.621 2.269 3.106 . 0 0 "[ . 1 ]" 1
859 2 49 LEU MD1 2 105 LYS HA 5.620 . 6.120 5.343 4.333 5.734 . 0 0 "[ . 1 ]" 1
860 2 105 LYS HG2 2 121 ASP HA 4.920 . 5.420 3.672 2.946 3.980 . 0 0 "[ . 1 ]" 1
861 2 69 LYS HA 2 69 LYS HG3 3.980 . 4.480 3.282 2.955 3.778 . 0 0 "[ . 1 ]" 1
862 2 69 LYS H 2 69 LYS HG2 4.140 . 4.640 3.140 1.796 3.729 0.004 9 0 "[ . 1 ]" 1
863 2 124 ILE MD 2 125 THR MG 6.890 . 7.390 4.180 3.381 4.607 . 0 0 "[ . 1 ]" 1
864 2 54 LEU HA 2 54 LEU MD2 4.040 . 4.540 3.004 1.929 4.110 . 0 0 "[ . 1 ]" 1
865 2 58 THR MG 2 62 ASP H 5.440 . 5.940 4.122 3.735 4.409 . 0 0 "[ . 1 ]" 1
866 2 51 VAL MG1 2 91 ALA H 6.000 . 6.500 4.488 4.282 4.741 . 0 0 "[ . 1 ]" 1
867 2 51 VAL MG1 2 118 ILE HA 5.690 . 6.190 4.403 3.802 4.854 . 0 0 "[ . 1 ]" 1
868 2 51 VAL MG1 2 120 VAL MG1 5.350 . 5.850 4.071 3.875 4.361 . 0 0 "[ . 1 ]" 1
869 2 63 LEU H 2 63 LEU MD2 4.620 . 5.120 3.075 1.689 3.491 0.111 10 0 "[ . 1 ]" 1
870 2 63 LEU MD2 2 67 PHE QE 5.180 . 5.680 3.044 2.280 4.975 . 0 0 "[ . 1 ]" 1
871 2 63 LEU HA 2 63 LEU MD2 3.950 . 4.450 2.355 1.983 3.751 . 0 0 "[ . 1 ]" 1
872 2 58 THR MG 2 59 THR H 4.440 . 4.940 2.020 1.784 2.149 0.016 10 0 "[ . 1 ]" 1
873 2 58 THR MG 2 63 LEU H 5.140 . 5.640 3.457 3.210 3.655 . 0 0 "[ . 1 ]" 1
874 2 58 THR MG 2 62 ASP HB3 4.430 . 4.930 2.475 2.118 2.998 . 0 0 "[ . 1 ]" 1
875 2 58 THR MG 2 62 ASP HB2 4.620 . 5.120 3.539 3.035 3.900 . 0 0 "[ . 1 ]" 1
876 2 58 THR MG 2 63 LEU HG 4.960 . 5.460 2.508 2.038 3.609 . 0 0 "[ . 1 ]" 1
877 2 58 THR MG 2 63 LEU MD2 5.180 . 5.680 2.025 1.750 2.252 0.050 6 0 "[ . 1 ]" 1
878 2 51 VAL MG1 2 67 PHE QE 5.240 . 5.740 3.932 3.393 4.694 . 0 0 "[ . 1 ]" 1
879 2 51 VAL MG1 2 118 ILE HB 5.210 . 5.710 2.549 2.086 2.987 . 0 0 "[ . 1 ]" 1
880 2 58 THR MG 2 63 LEU HB3 5.440 . 5.940 4.584 4.467 4.726 . 0 0 "[ . 1 ]" 1
881 2 66 VAL MG1 2 111 MET HG3 6.400 . 6.900 4.942 4.417 5.434 . 0 0 "[ . 1 ]" 1
882 2 79 VAL MG1 2 90 PHE H 5.920 . 6.420 3.383 2.004 4.918 . 0 0 "[ . 1 ]" 1
883 2 79 VAL MG1 2 80 TYR HA 4.400 . 4.900 4.094 3.217 5.652 0.752 3 1 "[ + . 1 ]" 1
884 2 79 VAL MG1 2 90 PHE HB3 5.360 . 5.860 4.733 4.027 6.772 0.912 3 1 "[ + . 1 ]" 1
885 2 79 VAL MG1 2 88 ARG HB3 5.870 . 6.370 3.908 2.624 5.782 . 0 0 "[ . 1 ]" 1
886 2 66 VAL MG1 2 67 PHE H 4.960 . 5.460 3.880 3.688 4.008 . 0 0 "[ . 1 ]" 1
887 2 66 VAL MG1 2 67 PHE QE 6.430 . 6.930 3.287 2.759 3.831 . 0 0 "[ . 1 ]" 1
888 2 66 VAL MG1 2 67 PHE HA 5.800 . 6.300 3.804 3.554 3.961 . 0 0 "[ . 1 ]" 1
889 2 63 LEU MD2 2 66 VAL MG1 5.750 . 6.250 4.602 3.492 6.710 0.460 3 0 "[ . 1 ]" 1
890 2 76 VAL MG2 2 94 TYR H 5.680 . 6.180 4.584 3.521 5.311 . 0 0 "[ . 1 ]" 1
891 2 76 VAL MG2 2 93 VAL HA 5.140 . 5.640 3.224 2.776 4.590 . 0 0 "[ . 1 ]" 1
892 2 63 LEU H 2 76 VAL MG1 5.120 . 5.620 5.293 4.190 5.885 0.265 3 0 "[ . 1 ]" 1
893 2 73 ILE MG 2 76 VAL MG2 5.250 . 5.750 4.165 2.668 4.587 . 0 0 "[ . 1 ]" 1
894 2 76 VAL MG1 2 93 VAL MG1 4.890 . 5.390 4.201 2.061 4.633 . 0 0 "[ . 1 ]" 1
895 2 79 VAL MG1 2 90 PHE QE 6.780 . 7.280 2.229 1.908 3.725 . 0 0 "[ . 1 ]" 1
896 2 79 VAL MG1 2 88 ARG QG 5.730 . 6.230 3.906 2.877 5.403 . 0 0 "[ . 1 ]" 1
897 2 109 ASN HA 2 120 VAL MG2 5.400 . 5.900 2.918 2.373 3.609 . 0 0 "[ . 1 ]" 1
898 2 51 VAL MG2 2 120 VAL MG2 5.910 . 6.410 2.204 1.994 2.528 . 0 0 "[ . 1 ]" 1
899 2 60 GLU HA 2 76 VAL MG1 4.080 . 4.580 3.515 2.086 4.331 . 0 0 "[ . 1 ]" 1
900 2 59 THR MG 2 60 GLU H 4.470 . 4.970 2.543 1.998 3.266 . 0 0 "[ . 1 ]" 1
901 2 59 THR H 2 59 THR MG 4.280 . 4.780 3.352 2.226 3.783 . 0 0 "[ . 1 ]" 1
902 2 59 THR HA 2 59 THR MG 3.420 . 3.920 2.600 2.146 3.153 . 0 0 "[ . 1 ]" 1
903 2 105 LYS HA 2 120 VAL MG2 6.000 . 6.500 4.986 4.504 5.402 . 0 0 "[ . 1 ]" 1
904 2 76 VAL MG1 2 77 SER H 4.430 . 4.930 3.557 2.136 3.773 . 0 0 "[ . 1 ]" 1
905 2 74 ALA H 2 93 VAL MG2 6.100 . 6.600 6.693 6.522 6.892 0.292 1 0 "[ . 1 ]" 1
906 2 59 THR MG 2 60 GLU HB3 6.210 . 6.710 4.717 4.270 5.260 . 0 0 "[ . 1 ]" 1
907 2 59 THR MG 2 78 ILE MD 7.400 . 7.900 3.333 2.474 3.961 . 0 0 "[ . 1 ]" 1
908 2 93 VAL MG2 2 94 TYR H 4.480 . 4.980 4.000 3.814 4.182 . 0 0 "[ . 1 ]" 1
909 2 67 PHE QD 2 93 VAL MG2 6.150 . 6.650 3.331 3.092 3.591 . 0 0 "[ . 1 ]" 1
910 2 93 VAL MG2 2 95 PHE QD 6.630 . 7.130 5.286 5.139 5.568 . 0 0 "[ . 1 ]" 1
911 2 93 VAL MG2 2 95 PHE QE 5.940 . 6.440 4.009 3.777 4.311 . 0 0 "[ . 1 ]" 1
912 2 67 PHE HB3 2 93 VAL MG2 4.980 . 5.480 4.364 4.059 4.644 . 0 0 "[ . 1 ]" 1
913 2 67 PHE HB2 2 93 VAL MG2 5.070 . 5.570 4.023 3.639 4.486 . 0 0 "[ . 1 ]" 1
914 2 76 VAL MG1 2 93 VAL MG2 5.120 . 5.620 4.067 2.062 4.599 . 0 0 "[ . 1 ]" 1
915 2 73 ILE MG 2 93 VAL MG2 5.750 . 6.250 4.356 4.076 4.543 . 0 0 "[ . 1 ]" 1
916 2 51 VAL HA 2 120 VAL MG1 4.300 . 4.800 3.648 3.471 3.858 . 0 0 "[ . 1 ]" 1
917 2 66 VAL H 2 66 VAL MG2 4.480 . 4.980 2.233 2.133 2.307 . 0 0 "[ . 1 ]" 1
918 2 66 VAL MG2 2 67 PHE QE 5.930 . 6.430 4.619 4.315 4.889 . 0 0 "[ . 1 ]" 1
919 2 63 LEU HA 2 66 VAL MG2 5.560 . 6.060 3.794 3.250 4.496 . 0 0 "[ . 1 ]" 1
920 2 65 GLU HB2 2 66 VAL MG2 6.230 . 6.730 2.821 2.583 2.980 . 0 0 "[ . 1 ]" 1
921 2 51 VAL MG2 2 91 ALA H 6.140 . 6.640 5.051 4.830 5.172 . 0 0 "[ . 1 ]" 1
922 2 51 VAL MG2 2 67 PHE QE 5.230 . 5.730 2.640 2.277 2.948 . 0 0 "[ . 1 ]" 1
923 2 70 TYR QD 2 104 ALA MB 5.530 . 6.030 3.339 3.220 3.443 . 0 0 "[ . 1 ]" 1
924 2 70 TYR QE 2 104 ALA MB 6.300 . 6.800 4.669 4.436 4.720 . 0 0 "[ . 1 ]" 1
925 2 70 TYR HB3 2 104 ALA MB 4.920 . 5.420 2.381 2.197 2.664 . 0 0 "[ . 1 ]" 1
926 2 101 ALA HA 2 104 ALA MB 4.360 . 4.860 2.709 2.427 2.949 . 0 0 "[ . 1 ]" 1
927 2 49 LEU MD2 2 104 ALA MB 6.290 . 6.790 2.886 2.284 3.650 . 0 0 "[ . 1 ]" 1
928 2 93 VAL MG1 2 95 PHE QE 7.180 . 7.680 2.345 2.198 2.625 . 0 0 "[ . 1 ]" 1
929 2 67 PHE QE 2 93 VAL MG1 6.230 . 6.730 3.838 3.418 4.439 . 0 0 "[ . 1 ]" 1
930 2 101 ALA MB 2 104 ALA MB 6.370 . 6.870 3.331 2.879 3.769 . 0 0 "[ . 1 ]" 1
931 2 95 PHE HZ 2 104 ALA MB 4.540 . 5.040 2.498 2.183 3.510 . 0 0 "[ . 1 ]" 1
932 2 92 PHE HA 2 93 VAL MG1 5.660 . 6.160 5.460 5.424 5.522 . 0 0 "[ . 1 ]" 1
933 2 76 VAL HB 2 93 VAL MG1 5.160 . 5.660 3.388 2.847 4.836 . 0 0 "[ . 1 ]" 1
934 2 63 LEU HB2 2 93 VAL MG1 5.870 . 6.370 5.143 4.805 5.506 . 0 0 "[ . 1 ]" 1
935 2 63 LEU MD2 2 93 VAL MG1 5.450 . 5.950 5.080 4.311 5.994 0.044 6 0 "[ . 1 ]" 1
936 2 63 LEU MD1 2 93 VAL MG1 5.780 . 6.280 4.833 4.288 5.450 . 0 0 "[ . 1 ]" 1
937 2 67 PHE QD 2 93 VAL MG1 6.010 . 6.510 2.684 2.352 3.485 . 0 0 "[ . 1 ]" 1
938 2 76 VAL HA 2 93 VAL MG1 6.280 . 6.780 3.457 3.305 3.805 . 0 0 "[ . 1 ]" 1
939 2 74 ALA MB 2 94 TYR QD 7.330 . 7.830 4.034 3.448 4.337 . 0 0 "[ . 1 ]" 1
940 2 74 ALA MB 2 94 TYR HB2 4.820 . 5.320 2.564 2.290 2.839 . 0 0 "[ . 1 ]" 1
941 2 74 ALA MB 2 96 GLU HG2 4.400 . 4.900 2.030 1.999 2.100 . 0 0 "[ . 1 ]" 1
942 2 108 ALA MB 2 111 MET H 6.210 . 6.710 4.440 3.804 4.920 . 0 0 "[ . 1 ]" 1
943 2 108 ALA MB 2 109 ASN H 5.040 . 5.540 3.333 3.234 3.491 . 0 0 "[ . 1 ]" 1
944 2 70 TYR QE 2 108 ALA MB 5.410 . 5.910 3.396 2.837 3.964 . 0 0 "[ . 1 ]" 1
945 2 107 ARG HB3 2 108 ALA MB 4.880 . 5.380 4.099 4.013 4.130 . 0 0 "[ . 1 ]" 1
946 2 40 ARG H 2 41 ALA MB 6.090 . 6.590 4.057 3.398 4.799 . 0 0 "[ . 1 ]" 1
947 2 40 ARG HA 2 41 ALA MB 6.280 . 6.780 4.512 3.871 4.824 . 0 0 "[ . 1 ]" 1
948 2 95 PHE QD 2 101 ALA MB 4.850 . 5.350 2.535 2.301 2.899 . 0 0 "[ . 1 ]" 1
949 2 100 ASP HA 2 101 ALA MB 6.020 . 6.520 5.023 5.002 5.045 . 0 0 "[ . 1 ]" 1
950 2 118 ILE H 2 118 ILE MG 4.190 . 4.690 2.312 1.909 3.013 . 0 0 "[ . 1 ]" 1
951 2 95 PHE H 2 101 ALA MB 6.300 . 6.800 4.796 4.393 5.308 . 0 0 "[ . 1 ]" 1
952 2 101 ALA MB 2 102 LYS H 4.650 . 5.150 2.949 2.746 3.186 . 0 0 "[ . 1 ]" 1
953 2 95 PHE QE 2 101 ALA MB 7.040 . 7.540 3.383 2.851 3.833 . 0 0 "[ . 1 ]" 1
954 2 95 PHE HA 2 101 ALA MB 6.090 . 6.590 4.450 4.306 4.574 . 0 0 "[ . 1 ]" 1
955 2 73 ILE MG 2 95 PHE QD 6.860 . 7.360 4.438 4.257 4.636 . 0 0 "[ . 1 ]" 1
956 2 73 ILE MG 2 74 ALA H 4.600 . 5.100 2.344 2.202 2.658 . 0 0 "[ . 1 ]" 1
957 2 73 ILE MG 2 95 PHE HA 5.320 . 5.820 3.782 3.691 3.899 . 0 0 "[ . 1 ]" 1
958 2 73 ILE MG 2 76 VAL HB 5.920 . 6.420 3.590 3.132 4.978 . 0 0 "[ . 1 ]" 1
959 2 64 ARG HA 2 73 ILE MG 5.460 . 5.960 3.461 3.099 3.732 . 0 0 "[ . 1 ]" 1
960 2 111 MET ME 2 112 GLU H 5.140 . 5.640 3.668 3.266 4.090 . 0 0 "[ . 1 ]" 1
961 2 111 MET ME 2 113 LEU HA 5.580 . 6.080 3.606 3.422 4.115 . 0 0 "[ . 1 ]" 1
962 2 111 MET HB3 2 111 MET ME 4.000 . 4.500 3.197 3.003 3.370 . 0 0 "[ . 1 ]" 1
963 2 111 MET ME 2 113 LEU HB3 4.940 . 5.440 3.997 3.660 4.138 . 0 0 "[ . 1 ]" 1
964 2 111 MET ME 2 113 LEU HB2 4.260 . 4.760 2.469 2.291 2.582 . 0 0 "[ . 1 ]" 1
965 2 111 MET ME 2 113 LEU MD2 5.800 . 6.300 3.834 2.906 4.725 . 0 0 "[ . 1 ]" 1
966 2 66 VAL MG1 2 111 MET ME 5.390 . 5.890 2.452 2.071 3.073 . 0 0 "[ . 1 ]" 1
967 2 111 MET ME 2 118 ILE MD 5.870 . 6.370 3.417 2.956 3.773 . 0 0 "[ . 1 ]" 1
968 2 66 VAL MG2 2 111 MET ME 5.260 . 5.760 3.549 2.841 4.335 . 0 0 "[ . 1 ]" 1
969 2 78 ILE MG 2 80 TYR QD 6.090 . 6.590 2.375 1.972 3.607 . 0 0 "[ . 1 ]" 1
970 2 78 ILE MG 2 80 TYR QE 5.940 . 6.440 2.968 2.343 3.581 . 0 0 "[ . 1 ]" 1
971 2 78 ILE MG 2 79 VAL HA 5.140 . 5.640 3.765 3.175 4.289 . 0 0 "[ . 1 ]" 1
972 2 60 GLU HG3 2 78 ILE MG 6.360 . 6.860 4.241 4.021 4.439 . 0 0 "[ . 1 ]" 1
973 2 113 LEU H 2 118 ILE MD 5.610 . 6.110 4.338 3.879 4.693 . 0 0 "[ . 1 ]" 1
974 2 111 MET HG2 2 118 ILE MD 5.150 . 5.650 2.079 1.988 2.295 . 0 0 "[ . 1 ]" 1
975 2 113 LEU HB2 2 118 ILE MD 5.080 . 5.580 2.732 2.372 3.301 . 0 0 "[ . 1 ]" 1
976 2 118 ILE H 2 118 ILE MD 4.940 . 5.440 3.623 3.423 3.954 . 0 0 "[ . 1 ]" 1
977 2 110 GLY HA2 2 118 ILE MD 6.610 . 7.110 5.067 4.804 5.447 . 0 0 "[ . 1 ]" 1
978 2 78 ILE MD 2 79 VAL H 6.610 . 7.110 4.933 4.323 5.326 . 0 0 "[ . 1 ]" 1
979 2 60 GLU HB3 2 78 ILE MD 5.220 . 5.720 4.202 2.683 4.380 . 0 0 "[ . 1 ]" 1
980 2 59 THR HA 2 78 ILE MD 4.360 . 4.860 2.012 1.946 2.090 . 0 0 "[ . 1 ]" 1
981 2 60 GLU HA 2 78 ILE MD 4.590 . 5.090 2.873 2.686 3.031 . 0 0 "[ . 1 ]" 1
982 2 60 GLU HG2 2 78 ILE MD 6.080 . 6.580 3.095 2.933 3.550 . 0 0 "[ . 1 ]" 1
983 2 78 ILE H 2 78 ILE MD 5.430 . 5.930 4.309 4.061 4.496 . 0 0 "[ . 1 ]" 1
984 2 60 GLU HG3 2 78 ILE MD 4.740 . 5.240 2.218 2.079 2.276 . 0 0 "[ . 1 ]" 1
985 2 76 VAL MG1 2 78 ILE MD 6.400 . 6.900 5.014 3.535 5.547 . 0 0 "[ . 1 ]" 1
986 2 73 ILE MD 2 95 PHE QD 6.780 . 7.280 3.280 3.144 3.454 . 0 0 "[ . 1 ]" 1
987 2 64 ARG HA 2 73 ILE MD 4.880 . 5.380 4.024 3.810 4.100 . 0 0 "[ . 1 ]" 1
988 2 67 PHE HB3 2 73 ILE MD 4.500 . 5.000 2.235 2.133 2.337 . 0 0 "[ . 1 ]" 1
989 2 67 PHE HB2 2 73 ILE MD 4.680 . 5.180 2.670 2.467 2.850 . 0 0 "[ . 1 ]" 1
990 2 72 PRO QG 2 73 ILE MD 6.770 . 7.270 4.961 4.876 5.015 . 0 0 "[ . 1 ]" 1
991 2 73 ILE MD 2 95 PHE HA 4.980 . 5.480 3.683 3.370 4.139 . 0 0 "[ . 1 ]" 1
992 2 93 VAL MG1 2 94 TYR QD 6.820 . 7.320 4.465 3.912 4.632 . 0 0 "[ . 1 ]" 1
993 2 80 TYR H 2 80 TYR QD 4.300 . 4.800 2.649 1.928 2.949 . 0 0 "[ . 1 ]" 1
994 2 80 TYR QD 2 87 SER QB 3.780 . 4.280 2.000 1.903 2.271 . 0 0 "[ . 1 ]" 1
995 2 78 ILE HB 2 80 TYR QD 5.860 . 6.360 3.715 2.877 4.790 . 0 0 "[ . 1 ]" 1
996 2 70 TYR HA 2 70 TYR QD 3.580 . 4.080 2.897 2.653 3.124 . 0 0 "[ . 1 ]" 1
997 2 57 TYR H 2 57 TYR QD 5.030 . 5.530 3.026 2.033 3.589 . 0 0 "[ . 1 ]" 1
998 2 57 TYR HA 2 57 TYR QD 4.040 . 4.540 2.743 2.228 3.075 . 0 0 "[ . 1 ]" 1
999 2 56 LEU QB 2 57 TYR QD 5.720 . 6.220 3.524 2.853 4.177 . 0 0 "[ . 1 ]" 1
1000 2 52 PHE HA 2 90 PHE QD 4.950 . 5.450 2.205 2.018 2.938 . 0 0 "[ . 1 ]" 1
1001 2 88 ARG HB3 2 90 PHE QD 3.970 . 4.470 3.007 2.519 3.551 . 0 0 "[ . 1 ]" 1
1002 2 95 PHE QE 2 101 ALA HA 4.990 . 5.490 3.404 2.982 4.314 . 0 0 "[ . 1 ]" 1
1003 2 73 ILE MD 2 95 PHE QE 5.780 . 6.280 2.716 2.271 2.965 . 0 0 "[ . 1 ]" 1
1004 2 66 VAL MG1 2 67 PHE QD 5.420 . 5.920 3.128 2.902 3.310 . 0 0 "[ . 1 ]" 1
1005 2 52 PHE QD 2 90 PHE HB2 4.390 . 4.890 3.515 2.926 3.989 . 0 0 "[ . 1 ]" 1
1006 2 52 PHE H 2 52 PHE QD 4.520 . 5.020 2.869 2.465 3.361 . 0 0 "[ . 1 ]" 1
1007 2 63 LEU HB3 2 67 PHE QD 5.190 . 5.690 3.790 3.428 4.345 . 0 0 "[ . 1 ]" 1
1008 2 67 PHE QD 2 73 ILE MD 5.660 . 6.160 3.645 3.520 3.850 . 0 0 "[ . 1 ]" 1
1009 2 49 LEU HB2 2 67 PHE QE 5.250 . 5.750 4.501 3.561 4.702 . 0 0 "[ . 1 ]" 1
1010 2 52 PHE HA 2 90 PHE QE 4.660 . 5.160 4.345 4.246 4.485 . 0 0 "[ . 1 ]" 1
1011 2 88 ARG HB3 2 90 PHE QE 4.850 . 5.350 3.663 2.504 4.357 . 0 0 "[ . 1 ]" 1
1012 2 88 ARG QG 2 90 PHE QE 6.720 . 7.220 4.260 2.152 5.345 . 0 0 "[ . 1 ]" 1
1013 2 79 VAL HB 2 92 PHE QE 4.570 . 5.070 3.460 2.102 4.102 . 0 0 "[ . 1 ]" 1
1014 2 93 VAL H 2 94 TYR QE 6.170 . 6.670 4.548 4.276 4.879 . 0 0 "[ . 1 ]" 1
1015 2 92 PHE HB2 2 94 TYR QE 4.670 . 5.170 2.822 2.375 3.072 . 0 0 "[ . 1 ]" 1
1016 2 92 PHE QD 2 94 TYR QE 6.630 . 7.130 4.121 3.717 4.374 . 0 0 "[ . 1 ]" 1
1017 2 56 LEU QB 2 57 TYR QE 5.880 . 6.380 3.700 3.037 4.411 . 0 0 "[ . 1 ]" 1
1018 2 70 TYR QE 2 107 ARG HG3 4.130 . 4.630 2.496 2.179 2.855 . 0 0 "[ . 1 ]" 1
1019 2 80 TYR QE 2 87 SER QB 4.150 . 4.650 3.340 2.638 3.689 . 0 0 "[ . 1 ]" 1
1020 2 78 ILE MD 2 80 TYR QE 6.510 . 7.010 4.232 3.864 4.706 . 0 0 "[ . 1 ]" 1
1021 1 1 A H1' 1 1 A H8 3.500 . 4.000 3.695 3.645 3.715 . 0 0 "[ . 1 ]" 1
1022 1 1 A H2' 1 1 A H8 4.500 . 5.000 4.151 4.063 4.323 . 0 0 "[ . 1 ]" 1
1023 1 1 A H3' 1 1 A H8 3.500 . 4.000 2.869 2.686 3.210 . 0 0 "[ . 1 ]" 1
1024 1 1 A H4' 1 1 A H8 4.000 . 4.500 3.999 3.975 4.022 . 0 0 "[ . 1 ]" 1
1025 1 1 A H5' 1 1 A H8 3.500 . 4.000 2.118 2.059 2.242 . 0 0 "[ . 1 ]" 1
1026 1 1 A H5'' 1 1 A H8 3.500 . 4.000 2.462 2.256 2.576 . 0 0 "[ . 1 ]" 1
1027 1 1 A H1' 1 1 A H2 4.500 . 5.000 4.632 4.602 4.679 . 0 0 "[ . 1 ]" 1
1028 1 1 A H2 1 1 A H2' 4.500 . 5.000 4.455 4.184 4.561 . 0 0 "[ . 1 ]" 1
1029 1 1 A H1' 1 1 A H2' 3.000 . 3.500 2.644 2.607 2.661 . 0 0 "[ . 1 ]" 1
1030 1 1 A H1' 1 1 A H3' 3.500 . 4.000 3.698 3.685 3.717 . 0 0 "[ . 1 ]" 1
1031 1 1 A H1' 1 1 A H4' 4.000 . 4.500 3.677 3.635 3.764 . 0 0 "[ . 1 ]" 1
1032 1 1 A H1' 1 1 A H5' 4.500 . 5.000 4.578 4.536 4.599 . 0 0 "[ . 1 ]" 1
1033 1 1 A H1' 1 1 A H5'' 4.500 . 5.000 4.452 4.386 4.488 . 0 0 "[ . 1 ]" 1
1034 1 1 A H2' 1 1 A H3' 3.000 . 3.500 2.361 2.331 2.376 . 0 0 "[ . 1 ]" 1
1035 1 1 A H2' 1 1 A H4' 5.000 . 5.500 3.901 3.877 3.947 . 0 0 "[ . 1 ]" 1
1036 1 1 A H2' 1 1 A H5' 5.000 . 5.500 4.287 4.236 4.309 . 0 0 "[ . 1 ]" 1
1037 1 1 A H2' 1 1 A H5'' 5.000 . 5.500 5.094 5.038 5.122 . 0 0 "[ . 1 ]" 1
1038 1 1 A H3' 1 1 A H4' 3.000 . 3.500 3.011 3.007 3.015 . 0 0 "[ . 1 ]" 1
1039 1 1 A H3' 1 1 A H5' 3.500 . 4.000 2.130 2.117 2.149 . 0 0 "[ . 1 ]" 1
1040 1 1 A H3' 1 1 A H5'' 3.500 . 4.000 3.437 3.420 3.455 . 0 0 "[ . 1 ]" 1
1041 1 1 A H4' 1 1 A H5' 3.000 . 3.500 3.005 3.000 3.012 . 0 0 "[ . 1 ]" 1
1042 1 1 A H4' 1 1 A H5'' 3.000 . 3.500 2.666 2.645 2.691 . 0 0 "[ . 1 ]" 1
1043 1 1 A H8 1 2 A H8 5.000 . 5.500 4.974 4.589 5.117 . 0 0 "[ . 1 ]" 1
1044 1 1 A H1' 1 2 A H8 5.000 . 5.500 4.726 4.500 5.106 . 0 0 "[ . 1 ]" 1
1045 1 1 A H2' 1 2 A H8 3.500 . 4.000 2.267 1.951 2.926 . 0 0 "[ . 1 ]" 1
1046 1 1 A H3' 1 2 A H8 3.500 . 4.000 2.869 2.254 3.208 . 0 0 "[ . 1 ]" 1
1047 1 1 A Q5' 1 2 A H8 6.170 . 6.670 4.669 3.828 5.065 . 0 0 "[ . 1 ]" 1
1048 1 1 A H2 1 2 A H1' 4.000 . 4.500 3.652 3.271 4.024 . 0 0 "[ . 1 ]" 1
1049 1 1 A H2 1 2 A H2 4.000 . 4.500 4.051 3.983 4.093 . 0 0 "[ . 1 ]" 1
1050 1 2 A H1' 1 2 A H8 4.000 . 4.500 3.861 3.785 3.898 . 0 0 "[ . 1 ]" 1
1051 1 2 A H2' 1 2 A H8 4.000 . 4.500 3.437 3.245 3.617 . 0 0 "[ . 1 ]" 1
1052 1 2 A H3' 1 2 A H8 5.000 . 5.500 4.575 4.416 4.886 . 0 0 "[ . 1 ]" 1
1053 1 2 A H4' 1 2 A H8 5.000 . 5.500 4.071 3.873 4.194 . 0 0 "[ . 1 ]" 1
1054 1 2 A H5' 1 2 A H8 3.500 . 4.000 3.594 3.555 3.689 . 0 0 "[ . 1 ]" 1
1055 1 2 A H5'' 1 2 A H8 5.500 . 6.000 2.066 1.963 2.327 . 0 0 "[ . 1 ]" 1
1056 1 2 A H1' 1 2 A H2 5.000 . 5.500 4.492 4.367 4.651 . 0 0 "[ . 1 ]" 1
1057 1 2 A H2 1 2 A H2' 5.000 . 5.500 5.285 5.168 5.382 . 0 0 "[ . 1 ]" 1
1058 1 2 A H1' 1 2 A H2' 3.000 . 3.500 2.887 2.856 2.940 . 0 0 "[ . 1 ]" 1
1059 1 2 A H1' 1 2 A H3' 4.000 . 4.500 3.932 3.855 3.977 . 0 0 "[ . 1 ]" 1
1060 1 2 A H1' 1 2 A H4' 4.000 . 4.500 3.779 3.721 3.837 . 0 0 "[ . 1 ]" 1
1061 1 2 A H1' 1 2 A Q5' 6.170 . 6.670 3.781 3.723 3.813 . 0 0 "[ . 1 ]" 1
1062 1 2 A H2' 1 2 A H4' 4.000 . 4.500 3.905 3.740 3.973 . 0 0 "[ . 1 ]" 1
1063 1 2 A H4' 1 2 A Q5' 3.370 . 3.870 2.396 2.371 2.431 . 0 0 "[ . 1 ]" 1
1064 1 2 A H2' 1 2 A Q5' 3.370 . 3.870 2.321 1.939 2.521 . 0 0 "[ . 1 ]" 1
1065 1 2 A H3' 1 2 A Q5' 5.050 . 5.550 2.250 2.149 2.432 . 0 0 "[ . 1 ]" 1
1066 1 3 G H5' 1 3 G H8 5.000 . 5.500 3.165 1.961 3.989 . 0 0 "[ . 1 ]" 1
1067 1 3 G H5'' 1 3 G H8 5.000 . 5.500 4.087 3.718 4.401 . 0 0 "[ . 1 ]" 1
1068 1 3 G H1' 1 3 G H8 4.000 . 4.500 3.860 3.836 3.893 . 0 0 "[ . 1 ]" 1
1069 1 3 G H4' 1 3 G H8 5.000 . 5.500 4.746 4.586 4.824 . 0 0 "[ . 1 ]" 1
1070 1 3 G H3' 1 3 G H8 3.500 . 4.000 3.885 3.750 3.968 . 0 0 "[ . 1 ]" 1
1071 1 3 G H1' 1 3 G H2' 4.000 . 4.500 2.982 2.933 3.011 . 0 0 "[ . 1 ]" 1
1072 1 3 G H1' 1 3 G H3' 4.000 . 4.500 3.909 3.827 4.004 . 0 0 "[ . 1 ]" 1
1073 1 3 G H1' 1 3 G H4' 5.000 . 5.500 3.674 3.485 3.800 . 0 0 "[ . 1 ]" 1
1074 1 3 G H2' 1 3 G H3' 3.000 . 3.500 2.279 2.267 2.296 . 0 0 "[ . 1 ]" 1
1075 1 3 G H3' 1 3 G H5' 3.500 . 4.000 3.460 3.090 3.617 . 0 0 "[ . 1 ]" 1
1076 1 3 G H3' 1 3 G H5'' 3.500 . 4.000 2.869 2.454 3.532 . 0 0 "[ . 1 ]" 1
1077 1 3 G H4' 1 3 G Q5' 3.370 . 3.870 2.183 2.135 2.246 . 0 0 "[ . 1 ]" 1
1078 1 2 A H1' 1 3 G H8 4.000 . 4.500 4.367 4.311 4.447 . 0 0 "[ . 1 ]" 1
1079 1 2 A H2' 1 3 G H8 4.000 . 4.500 3.642 2.983 4.047 . 0 0 "[ . 1 ]" 1
1080 1 2 A H3' 1 3 G H8 4.000 . 4.500 2.782 2.011 3.402 . 0 0 "[ . 1 ]" 1
1081 1 3 G H1' 1 4 A H5' 4.500 . 5.000 3.358 2.566 4.541 . 0 0 "[ . 1 ]" 1
1082 1 3 G H1' 1 4 A H2 3.000 . 3.500 3.067 3.014 3.132 . 0 0 "[ . 1 ]" 1
1083 1 4 A H1' 1 4 A H8 3.000 . 3.500 2.596 2.555 2.676 . 0 0 "[ . 1 ]" 1
1084 1 4 A H2' 1 4 A H8 5.500 . 6.000 4.556 4.373 4.735 . 0 0 "[ . 1 ]" 1
1085 1 4 A H3' 1 4 A H8 6.000 . 6.500 6.107 5.992 6.159 . 0 0 "[ . 1 ]" 1
1086 1 4 A H1' 1 4 A H2 6.000 . 6.500 6.056 5.980 6.092 . 0 0 "[ . 1 ]" 1
1087 1 4 A H2 1 4 A H2' 4.000 . 4.500 3.750 3.527 3.983 . 0 0 "[ . 1 ]" 1
1088 1 4 A H2 1 4 A H3' 5.000 . 5.500 5.183 5.060 5.278 . 0 0 "[ . 1 ]" 1
1089 1 4 A H2 1 4 A Q5' 4.490 . 4.990 3.333 2.745 3.811 . 0 0 "[ . 1 ]" 1
1090 1 4 A H1' 1 4 A H2' 4.000 . 4.500 3.029 3.011 3.049 . 0 0 "[ . 1 ]" 1
1091 1 4 A H1' 1 4 A H3' 4.500 . 5.000 3.896 3.822 3.931 . 0 0 "[ . 1 ]" 1
1092 1 4 A H1' 1 4 A H4' 5.000 . 5.500 3.588 3.359 3.691 . 0 0 "[ . 1 ]" 1
1093 1 4 A H1' 1 4 A H5' 6.000 . 6.500 4.266 3.909 4.746 . 0 0 "[ . 1 ]" 1
1094 1 4 A H1' 1 4 A H5'' 6.000 . 6.500 4.676 4.219 4.994 . 0 0 "[ . 1 ]" 1
1095 1 4 A H2' 1 4 A H3' 3.500 . 4.000 2.185 2.132 2.235 . 0 0 "[ . 1 ]" 1
1096 1 4 A H2' 1 4 A H5' 4.000 . 4.500 2.642 2.135 3.056 . 0 0 "[ . 1 ]" 1
1097 1 4 A H3' 1 4 A H4' 5.500 . 6.000 2.715 2.670 2.788 . 0 0 "[ . 1 ]" 1
1098 1 4 A H3' 1 4 A H5' 4.500 . 5.000 2.843 1.951 3.457 . 0 0 "[ . 1 ]" 1
1099 1 4 A H3' 1 4 A H5'' 4.500 . 5.000 3.393 3.140 3.526 . 0 0 "[ . 1 ]" 1
1100 1 4 A H2' 1 4 A H4' 3.500 . 4.000 3.655 3.543 3.707 . 0 0 "[ . 1 ]" 1
1101 1 4 A H4' 1 4 A Q5' 6.730 . 7.230 2.335 2.141 2.562 . 0 0 "[ . 1 ]" 1
1102 1 4 A H8 1 5 A H8 4.000 . 4.500 3.920 3.525 4.120 . 0 0 "[ . 1 ]" 1
1103 1 4 A H1' 1 5 A H8 3.500 . 4.000 2.784 2.378 3.373 . 0 0 "[ . 1 ]" 1
1104 1 4 A H2' 1 5 A H8 7.000 . 7.500 5.235 4.953 5.679 . 0 0 "[ . 1 ]" 1
1105 1 4 A H3' 1 5 A H8 5.500 . 6.000 5.616 5.543 5.708 . 0 0 "[ . 1 ]" 1
1106 1 5 A H1' 1 5 A H8 3.500 . 4.000 3.691 3.626 3.759 . 0 0 "[ . 1 ]" 1
1107 1 5 A H2' 1 5 A H8 3.000 . 3.500 2.450 2.339 2.536 . 0 0 "[ . 1 ]" 1
1108 1 5 A H3' 1 5 A H8 4.000 . 4.500 4.322 4.167 4.410 . 0 0 "[ . 1 ]" 1
1109 1 5 A H4' 1 5 A H8 5.500 . 6.000 4.503 4.237 4.974 . 0 0 "[ . 1 ]" 1
1110 1 5 A H1' 1 5 A H2' 3.000 . 3.500 3.031 3.002 3.051 . 0 0 "[ . 1 ]" 1
1111 1 5 A H1' 1 5 A H3' 4.000 . 4.500 3.806 3.757 3.853 . 0 0 "[ . 1 ]" 1
1112 1 5 A H1' 1 5 A H4' 4.000 . 4.500 3.244 2.634 3.518 . 0 0 "[ . 1 ]" 1
1113 1 5 A H2' 1 5 A H3' 3.000 . 3.500 2.257 2.160 2.311 . 0 0 "[ . 1 ]" 1
1114 1 5 A H2' 1 5 A H4' 4.000 . 4.500 3.682 3.610 3.870 . 0 0 "[ . 1 ]" 1
1115 1 5 A H3' 1 5 A H4' 3.000 . 3.500 2.814 2.733 2.979 . 0 0 "[ . 1 ]" 1
1116 1 5 A H2' 1 6 C H6 3.000 . 3.500 3.450 3.422 3.467 . 0 0 "[ . 1 ]" 1
1117 1 5 A H3' 1 6 C H6 3.000 . 3.500 3.278 3.070 3.510 0.010 6 0 "[ . 1 ]" 1
1118 1 5 A H8 1 6 C H6 5.000 . 5.500 5.299 5.173 5.416 . 0 0 "[ . 1 ]" 1
1119 1 5 A H2 1 6 C H1' 5.500 . 6.000 5.742 5.687 5.807 . 0 0 "[ . 1 ]" 1
1120 1 5 A H2 1 6 C H5 4.500 . 5.000 4.625 4.569 4.730 . 0 0 "[ . 1 ]" 1
1121 1 6 C H2' 1 6 C H5 5.500 . 6.000 4.180 4.144 4.211 . 0 0 "[ . 1 ]" 1
1122 1 6 C H3' 1 6 C H5 6.000 . 6.500 6.075 6.037 6.112 . 0 0 "[ . 1 ]" 1
1123 1 6 C H1' 1 6 C H5 5.500 . 6.000 5.177 5.139 5.197 . 0 0 "[ . 1 ]" 1
1124 1 6 C H1' 1 6 C H6 3.500 . 4.000 3.491 3.442 3.511 . 0 0 "[ . 1 ]" 1
1125 1 6 C H2' 1 6 C H6 3.000 . 3.500 1.860 1.836 1.897 . 0 0 "[ . 1 ]" 1
1126 1 6 C H3' 1 6 C H6 4.000 . 4.500 3.922 3.828 3.996 . 0 0 "[ . 1 ]" 1
1127 1 6 C Q5' 1 6 C H6 4.490 . 4.990 2.760 2.666 2.809 . 0 0 "[ . 1 ]" 1
1128 1 6 C H1' 1 6 C H2' 3.000 . 3.500 2.899 2.879 2.924 . 0 0 "[ . 1 ]" 1
1129 1 6 C H1' 1 6 C Q5' 5.610 . 6.110 3.620 3.592 3.653 . 0 0 "[ . 1 ]" 1
1130 1 6 C H2' 1 6 C Q5' 3.370 . 3.870 2.842 2.741 3.018 . 0 0 "[ . 1 ]" 1
1131 1 6 C H3' 1 6 C Q5' 3.370 . 3.870 3.025 2.989 3.041 . 0 0 "[ . 1 ]" 1
1132 1 2 A H2 2 119 ARG HA 6.000 . 6.500 5.576 5.417 5.847 . 0 0 "[ . 1 ]" 1
1133 1 2 A H2 2 119 ARG HB2 5.500 . 6.000 4.213 4.097 4.365 . 0 0 "[ . 1 ]" 1
1134 1 2 A H2 2 119 ARG HB3 5.500 . 6.000 5.592 5.525 5.674 . 0 0 "[ . 1 ]" 1
1135 1 2 A H2 2 119 ARG QG 5.050 . 5.550 3.078 2.825 3.282 . 0 0 "[ . 1 ]" 1
1136 1 2 A H2 2 119 ARG HD2 4.000 . 4.500 4.070 4.034 4.117 . 0 0 "[ . 1 ]" 1
1137 1 2 A H2 2 119 ARG HD3 4.000 . 4.500 3.546 3.212 3.987 . 0 0 "[ . 1 ]" 1
1138 1 2 A H2 2 55 SER HA 5.000 . 5.500 5.201 5.088 5.319 . 0 0 "[ . 1 ]" 1
1139 1 2 A H2 2 56 LEU QD 7.210 . 7.710 5.782 5.013 6.053 . 0 0 "[ . 1 ]" 1
1140 1 3 G H8 2 52 PHE QB 5.610 . 6.110 3.666 3.491 3.923 . 0 0 "[ . 1 ]" 1
1141 1 3 G H8 2 52 PHE QD 6.170 . 6.670 5.432 3.884 5.633 . 0 0 "[ . 1 ]" 1
1142 1 3 G H1 2 52 PHE QD 5.610 . 6.110 3.635 2.959 3.902 . 0 0 "[ . 1 ]" 1
1143 1 3 G H5' 2 90 PHE QD 4.490 . 4.990 3.828 3.400 4.090 . 0 0 "[ . 1 ]" 1
1144 1 3 G H5' 2 90 PHE QE 5.610 . 6.110 4.898 4.199 5.073 . 0 0 "[ . 1 ]" 1
1145 1 3 G H1 2 92 PHE QD 5.610 . 6.110 5.148 5.059 5.289 . 0 0 "[ . 1 ]" 1
1146 1 3 G H1 2 123 SER HA 4.000 . 4.500 2.647 2.094 3.301 . 0 0 "[ . 1 ]" 1
1147 1 3 G H1 2 123 SER O 2.500 . 3.000 2.578 2.197 2.684 . 0 0 "[ . 1 ]" 1
1148 1 3 G N1 2 123 SER O 3.500 . 4.000 3.298 2.960 3.442 . 0 0 "[ . 1 ]" 1
1149 1 4 A H2 2 40 ARG HB2 5.500 . 6.000 4.172 3.045 5.525 . 0 0 "[ . 1 ]" 1
1150 1 4 A H2 2 40 ARG HB3 5.500 . 6.000 4.429 2.914 5.588 . 0 0 "[ . 1 ]" 1
1151 1 4 A H2 2 40 ARG HG2 5.500 . 6.000 5.143 4.491 5.578 . 0 0 "[ . 1 ]" 1
1152 1 4 A H2 2 40 ARG HG3 5.500 . 6.000 5.291 4.358 5.632 . 0 0 "[ . 1 ]" 1
1153 1 4 A H2 2 40 ARG HD2 4.000 . 4.500 3.388 2.509 4.029 . 0 0 "[ . 1 ]" 1
1154 1 4 A H2 2 40 ARG HD3 4.000 . 4.500 3.148 2.551 4.054 . 0 0 "[ . 1 ]" 1
1155 1 4 A H2' 2 88 ARG QD 4.490 . 4.990 4.242 4.138 4.360 . 0 0 "[ . 1 ]" 1
1156 1 4 A H3' 2 88 ARG QD 5.610 . 6.110 2.706 2.431 3.410 . 0 0 "[ . 1 ]" 1
1157 1 4 A H3' 2 90 PHE HZ 6.000 . 6.500 5.528 4.746 5.877 . 0 0 "[ . 1 ]" 1
1158 1 4 A H1' 2 90 PHE QE 6.730 . 7.230 3.761 3.289 4.327 . 0 0 "[ . 1 ]" 1
1159 1 4 A H8 2 90 PHE QD 6.730 . 7.230 6.143 6.073 6.184 . 0 0 "[ . 1 ]" 1
1160 1 4 A H8 2 90 PHE QE 6.730 . 7.230 4.106 3.957 4.454 . 0 0 "[ . 1 ]" 1
1161 1 4 A H8 2 92 PHE QE 4.490 . 4.990 3.397 2.687 3.655 . 0 0 "[ . 1 ]" 1
1162 1 4 A H1' 2 92 PHE QE 5.610 . 6.110 4.365 3.774 4.695 . 0 0 "[ . 1 ]" 1
1163 1 4 A H8 2 92 PHE HZ 4.500 . 5.000 2.754 2.015 3.959 . 0 0 "[ . 1 ]" 1
1164 1 4 A H1' 2 92 PHE HZ 4.500 . 5.000 3.487 2.471 4.354 . 0 0 "[ . 1 ]" 1
1165 1 4 A H8 2 123 SER QB 5.610 . 6.110 4.956 4.628 5.113 . 0 0 "[ . 1 ]" 1
1166 1 4 A H1' 2 124 ILE MD 6.610 . 7.110 7.108 6.762 7.427 0.317 10 0 "[ . 1 ]" 1
1167 1 4 A H8 2 124 ILE MD 6.610 . 7.110 5.513 5.380 5.603 . 0 0 "[ . 1 ]" 1
1168 1 4 A H1' 2 124 ILE MG 7.210 . 7.710 6.102 5.133 7.399 . 0 0 "[ . 1 ]" 1
1169 1 4 A H8 2 124 ILE MG 6.610 . 7.110 4.200 3.114 5.564 . 0 0 "[ . 1 ]" 1
1170 1 4 A H8 2 124 ILE HB 6.000 . 6.500 5.583 4.694 6.202 . 0 0 "[ . 1 ]" 1
1171 1 4 A H1' 2 79 VAL MG1 7.210 . 7.710 4.400 4.081 4.976 . 0 0 "[ . 1 ]" 1
1172 1 4 A H8 2 79 VAL MG1 7.210 . 7.710 5.539 4.917 6.567 . 0 0 "[ . 1 ]" 1
1173 1 4 A H1' 2 125 THR MG 4.800 . 5.300 4.013 3.735 4.148 . 0 0 "[ . 1 ]" 1
1174 1 4 A H2' 2 125 THR MG 7.210 . 7.710 5.557 4.701 6.071 . 0 0 "[ . 1 ]" 1
1175 1 4 A H8 2 125 THR MG 4.200 . 4.700 2.394 1.998 2.594 . 0 0 "[ . 1 ]" 1
1176 1 5 A H2 2 77 SER HA 6.000 . 6.500 5.641 5.329 5.804 . 0 0 "[ . 1 ]" 1
1177 1 5 A H2 2 77 SER HB2 3.500 . 4.000 3.486 3.173 3.625 . 0 0 "[ . 1 ]" 1
1178 1 5 A H2 2 77 SER HB3 3.500 . 4.000 3.520 3.278 3.613 . 0 0 "[ . 1 ]" 1
1179 1 5 A H1' 2 79 VAL MG1 4.800 . 5.300 3.633 1.981 4.639 . 0 0 "[ . 1 ]" 1
1180 1 5 A H8 2 79 VAL MG1 6.610 . 7.110 4.575 3.796 5.497 . 0 0 "[ . 1 ]" 1
1181 1 5 A H1' 2 79 VAL MG2 4.800 . 5.300 2.811 2.034 4.208 . 0 0 "[ . 1 ]" 1
1182 1 5 A H8 2 79 VAL MG2 6.610 . 7.110 4.289 3.469 5.819 . 0 0 "[ . 1 ]" 1
1183 1 5 A H1' 2 90 PHE QE 6.170 . 6.670 5.464 5.121 5.714 . 0 0 "[ . 1 ]" 1
1184 1 5 A H1' 2 90 PHE HZ 6.000 . 6.500 5.933 4.995 6.177 . 0 0 "[ . 1 ]" 1
1185 1 5 A H8 2 90 PHE QE 6.170 . 6.670 5.041 4.669 5.434 . 0 0 "[ . 1 ]" 1
1186 1 5 A H2 2 92 PHE HB2 5.000 . 5.500 4.042 3.934 4.185 . 0 0 "[ . 1 ]" 1
1187 1 5 A H2 2 92 PHE HB3 5.000 . 5.500 5.054 5.014 5.107 . 0 0 "[ . 1 ]" 1
1188 1 5 A H2 2 92 PHE QE 5.610 . 6.110 4.313 3.819 4.800 . 0 0 "[ . 1 ]" 1
1189 1 5 A H2 2 94 TYR QD 6.730 . 7.230 5.799 5.671 5.927 . 0 0 "[ . 1 ]" 1
1190 1 5 A H2 2 94 TYR QE 3.930 . 4.430 3.602 3.513 3.740 . 0 0 "[ . 1 ]" 1
1191 1 5 A H8 2 125 THR MG 5.400 . 5.900 4.075 3.552 4.514 . 0 0 "[ . 1 ]" 1
1192 1 5 A H2 2 127 ARG HA 6.000 . 6.500 4.257 3.913 4.658 . 0 0 "[ . 1 ]" 1
1193 1 5 A H2 2 127 ARG QG 5.610 . 6.110 5.046 4.960 5.194 . 0 0 "[ . 1 ]" 1
1194 1 5 A H2 2 127 ARG QB 6.170 . 6.670 5.410 4.858 5.609 . 0 0 "[ . 1 ]" 1
1195 1 5 A H2 2 127 ARG QD 6.730 . 7.230 5.998 5.460 6.114 . 0 0 "[ . 1 ]" 1
1196 1 5 A H1' 2 128 PRO HA 4.000 . 4.500 4.080 3.834 4.185 . 0 0 "[ . 1 ]" 1
1197 1 5 A H1' 2 128 PRO HB2 5.000 . 5.500 4.875 4.434 5.025 . 0 0 "[ . 1 ]" 1
1198 1 5 A H1' 2 128 PRO HB3 5.000 . 5.500 4.021 3.783 4.219 . 0 0 "[ . 1 ]" 1
1199 1 5 A H2 2 128 PRO QG 5.050 . 5.550 3.429 3.047 3.821 . 0 0 "[ . 1 ]" 1
1200 1 5 A H2 2 128 PRO QB 4.490 . 4.990 2.497 2.385 2.647 . 0 0 "[ . 1 ]" 1
1201 1 5 A H2 2 128 PRO QD 4.490 . 4.990 2.467 2.083 2.986 . 0 0 "[ . 1 ]" 1
1202 1 5 A H2' 2 129 HIS QB 5.610 . 6.110 2.031 1.912 2.336 . 0 0 "[ . 1 ]" 1
1203 1 5 A H3' 2 129 HIS QB 5.610 . 6.110 2.579 2.214 3.390 . 0 0 "[ . 1 ]" 1
1204 1 5 A H2' 2 129 HIS HD2 4.500 . 5.000 4.577 4.563 4.607 . 0 0 "[ . 1 ]" 1
1205 1 5 A H3' 2 129 HIS HD2 4.500 . 5.000 3.315 2.910 4.116 . 0 0 "[ . 1 ]" 1
1206 1 6 C H1' 2 129 HIS QB 5.050 . 5.550 4.509 4.408 4.562 . 0 0 "[ . 1 ]" 1
1207 1 6 C H2' 2 129 HIS QB 5.050 . 5.550 2.380 2.214 2.544 . 0 0 "[ . 1 ]" 1
1208 1 6 C H3' 2 129 HIS QB 4.490 . 4.990 3.214 3.034 3.472 . 0 0 "[ . 1 ]" 1
1209 1 6 C Q5' 2 129 HIS QB 6.930 . 7.430 4.724 4.578 4.884 . 0 0 "[ . 1 ]" 1
1210 1 6 C H6 2 129 HIS QB 4.490 . 4.990 3.458 3.348 3.567 . 0 0 "[ . 1 ]" 1
1211 1 6 C H5 2 129 HIS QB 5.610 . 6.110 5.260 5.167 5.349 . 0 0 "[ . 1 ]" 1
1212 1 6 C H1' 2 129 HIS HD2 5.500 . 6.000 5.596 5.565 5.633 . 0 0 "[ . 1 ]" 1
1213 2 94 TYR QE 2 127 ARG QG 5.670 . 6.170 3.813 2.438 5.573 . 0 0 "[ . 1 ]" 1
1214 2 94 TYR QE 2 127 ARG HB2 5.050 . 5.550 5.011 4.171 6.333 0.783 2 2 "[ + -. 1 ]" 1
1215 2 94 TYR QE 2 127 ARG HB3 5.050 . 5.550 5.295 4.673 6.040 0.490 5 0 "[ . 1 ]" 1
1216 2 75 ASP HB2 2 94 TYR QE 5.050 . 5.550 4.119 3.833 4.396 . 0 0 "[ . 1 ]" 1
1217 2 75 ASP HB3 2 94 TYR QE 5.050 . 5.550 3.999 3.128 4.494 . 0 0 "[ . 1 ]" 1
1218 2 48 CYS HB3 2 94 TYR QE 5.050 . 5.550 2.739 2.048 3.790 . 0 0 "[ . 1 ]" 1
1219 2 77 SER HB2 2 94 TYR QE 5.050 . 5.550 3.243 2.191 3.614 . 0 0 "[ . 1 ]" 1
1220 2 77 SER HB3 2 94 TYR QE 5.050 . 5.550 3.330 2.639 3.521 . 0 0 "[ . 1 ]" 1
1221 2 77 SER HA 2 94 TYR QE 6.170 . 6.670 5.384 4.047 5.558 . 0 0 "[ . 1 ]" 1
1222 2 48 CYS HB3 2 94 TYR QD 5.050 . 5.550 3.177 2.131 4.556 . 0 0 "[ . 1 ]" 1
1223 2 39 ASN H 2 124 ILE MD 7.210 . 7.710 5.834 4.031 7.795 0.085 10 0 "[ . 1 ]" 1
1224 2 39 ASN H 2 124 ILE MG 6.000 . 6.500 5.969 1.790 8.407 1.907 4 4 "[- +.* 1 *]" 1
1225 2 40 ARG H 2 124 ILE MD 6.000 . 6.500 3.662 1.944 5.042 . 0 0 "[ . 1 ]" 1
1226 2 40 ARG H 2 124 ILE MG 6.000 . 6.500 4.109 2.317 5.045 . 0 0 "[ . 1 ]" 1
1227 2 42 ASN H 2 124 ILE MG 7.210 . 7.710 4.379 2.094 6.022 . 0 0 "[ . 1 ]" 1
1228 2 49 LEU MD1 2 122 PHE QE 6.740 . 7.240 2.464 2.219 2.922 . 0 0 "[ . 1 ]" 1
1229 2 49 LEU MD2 2 122 PHE QE 6.740 . 7.240 4.143 3.826 4.447 . 0 0 "[ . 1 ]" 1
1230 2 49 LEU MD1 2 122 PHE QD 6.740 . 7.240 2.297 2.079 2.567 . 0 0 "[ . 1 ]" 1
1231 2 49 LEU MD2 2 122 PHE QD 6.740 . 7.240 4.127 3.734 4.750 . 0 0 "[ . 1 ]" 1
1232 2 105 LYS HG3 2 122 PHE H 5.000 . 5.500 4.012 3.627 5.245 . 0 0 "[ . 1 ]" 1
1233 2 52 PHE QE 2 90 PHE QD 6.300 . 6.800 3.972 2.806 4.338 . 0 0 "[ . 1 ]" 1
1234 2 52 PHE QD 2 90 PHE QD 5.670 . 6.170 2.064 1.895 3.039 . 0 0 "[ . 1 ]" 1
1235 2 52 PHE QD 2 90 PHE HA 5.610 . 6.110 5.166 5.082 5.278 . 0 0 "[ . 1 ]" 1
1236 2 52 PHE QD 2 123 SER HA 5.610 . 6.110 4.234 3.633 4.416 . 0 0 "[ . 1 ]" 1
1237 2 52 PHE QD 2 123 SER HB2 5.610 . 6.110 4.954 4.264 5.076 . 0 0 "[ . 1 ]" 1
1238 2 52 PHE QD 2 123 SER HB3 5.610 . 6.110 5.128 5.005 5.264 . 0 0 "[ . 1 ]" 1
1239 2 52 PHE QE 2 123 SER HB2 6.730 . 7.230 3.069 2.155 3.290 . 0 0 "[ . 1 ]" 1
1240 2 52 PHE QE 2 123 SER HB3 6.730 . 7.230 3.023 2.731 3.669 . 0 0 "[ . 1 ]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 44
_Distance_constraint_stats_list.Viol_count 9
_Distance_constraint_stats_list.Viol_total 3.073
_Distance_constraint_stats_list.Viol_max 0.083
_Distance_constraint_stats_list.Viol_rms 0.0054
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0005
_Distance_constraint_stats_list.Viol_average_violations_only 0.0285
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
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
2 49 LEU 0.047 0.033 1 0 "[ . 1 ]"
2 50 GLY 0.000 0.000 . 0 "[ . 1 ]"
2 51 VAL 0.000 0.000 . 0 "[ . 1 ]"
2 52 PHE 0.000 0.000 . 0 "[ . 1 ]"
2 59 THR 0.000 0.000 . 0 "[ . 1 ]"
2 60 GLU 0.000 0.000 . 0 "[ . 1 ]"
2 63 LEU 0.000 0.000 . 0 "[ . 1 ]"
2 64 ARG 0.000 0.000 . 0 "[ . 1 ]"
2 67 PHE 0.000 0.000 . 0 "[ . 1 ]"
2 68 SER 0.000 0.000 . 0 "[ . 1 ]"
2 75 ASP 0.000 0.000 . 0 "[ . 1 ]"
2 77 SER 0.010 0.010 11 0 "[ . 1 ]"
2 79 VAL 0.199 0.083 5 0 "[ . 1 ]"
2 90 PHE 0.199 0.083 5 0 "[ . 1 ]"
2 91 ALA 0.000 0.000 . 0 "[ . 1 ]"
2 92 PHE 0.010 0.010 11 0 "[ . 1 ]"
2 93 VAL 0.047 0.033 1 0 "[ . 1 ]"
2 94 TYR 0.000 0.000 . 0 "[ . 1 ]"
2 97 ASN 0.000 0.000 . 0 "[ . 1 ]"
2 98 VAL 0.000 0.000 . 0 "[ . 1 ]"
2 101 ALA 0.000 0.000 . 0 "[ . 1 ]"
2 102 LYS 0.000 0.000 . 0 "[ . 1 ]"
2 104 ALA 0.000 0.000 . 0 "[ . 1 ]"
2 106 GLU 0.000 0.000 . 0 "[ . 1 ]"
2 108 ALA 0.000 0.000 . 0 "[ . 1 ]"
2 119 ARG 0.000 0.000 . 0 "[ . 1 ]"
2 121 ASP 0.000 0.000 . 0 "[ . 1 ]"
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 2 79 VAL H 2 90 PHE O 2.400 . 2.900 1.855 1.717 2.188 0.083 5 0 "[ . 1 ]" 2
2 2 79 VAL O 2 90 PHE H 2.400 . 2.900 2.358 1.891 2.512 . 0 0 "[ . 1 ]" 2
3 2 77 SER H 2 92 PHE O 2.400 . 2.900 1.984 1.853 2.137 . 0 0 "[ . 1 ]" 2
4 2 77 SER O 2 92 PHE H 2.400 . 2.900 1.884 1.790 1.979 0.010 11 0 "[ . 1 ]" 2
5 2 75 ASP H 2 94 TYR O 2.400 . 2.900 2.437 2.415 2.461 . 0 0 "[ . 1 ]" 2
6 2 75 ASP O 2 94 TYR H 2.400 . 2.900 1.955 1.821 2.074 . 0 0 "[ . 1 ]" 2
7 2 51 VAL O 2 91 ALA H 2.400 . 2.900 2.291 1.897 2.497 . 0 0 "[ . 1 ]" 2
8 2 51 VAL H 2 91 ALA O 2.400 . 2.900 2.302 1.889 2.468 . 0 0 "[ . 1 ]" 2
9 2 49 LEU O 2 93 VAL H 2.400 . 2.900 1.883 1.767 2.414 0.033 1 0 "[ . 1 ]" 2
10 2 49 LEU H 2 93 VAL O 2.400 . 2.900 2.172 1.816 2.465 . 0 0 "[ . 1 ]" 2
11 2 52 PHE H 2 119 ARG O 2.400 . 2.900 2.281 1.899 2.450 . 0 0 "[ . 1 ]" 2
12 2 52 PHE O 2 119 ARG H 2.400 . 2.900 2.526 2.471 2.570 . 0 0 "[ . 1 ]" 2
13 2 50 GLY H 2 121 ASP O 2.400 . 2.900 2.309 1.838 2.444 . 0 0 "[ . 1 ]" 2
14 2 50 GLY O 2 121 ASP H 2.400 . 2.900 2.544 2.509 2.571 . 0 0 "[ . 1 ]" 2
15 2 102 LYS O 2 106 GLU H 2.400 . 2.900 2.427 2.162 2.493 . 0 0 "[ . 1 ]" 2
16 2 97 ASN O 2 101 ALA H 2.400 . 2.900 2.233 1.845 2.476 . 0 0 "[ . 1 ]" 2
17 2 104 ALA O 2 108 ALA H 2.400 . 2.900 2.445 2.424 2.470 . 0 0 "[ . 1 ]" 2
18 2 98 VAL O 2 102 LYS H 2.400 . 2.900 2.382 2.141 2.456 . 0 0 "[ . 1 ]" 2
19 2 60 GLU O 2 64 ARG H 2.400 . 2.900 2.202 1.813 2.406 . 0 0 "[ . 1 ]" 2
20 2 64 ARG O 2 68 SER H 2.400 . 2.900 2.463 2.391 2.521 . 0 0 "[ . 1 ]" 2
21 2 63 LEU O 2 67 PHE H 2.400 . 2.900 2.406 2.190 2.481 . 0 0 "[ . 1 ]" 2
22 2 59 THR O 2 63 LEU H 2.400 . 2.900 2.293 2.065 2.488 . 0 0 "[ . 1 ]" 2
23 2 79 VAL N 2 90 PHE O 3.400 2.400 3.900 2.761 2.637 2.876 . 0 0 "[ . 1 ]" 2
24 2 79 VAL O 2 90 PHE N 3.400 2.400 3.900 3.300 2.756 3.499 . 0 0 "[ . 1 ]" 2
25 2 77 SER N 2 92 PHE O 3.400 2.400 3.900 2.904 2.838 3.015 . 0 0 "[ . 1 ]" 2
26 2 77 SER O 2 92 PHE N 3.400 2.400 3.900 2.871 2.788 2.937 . 0 0 "[ . 1 ]" 2
27 2 75 ASP N 2 94 TYR O 3.400 2.400 3.900 3.427 3.407 3.448 . 0 0 "[ . 1 ]" 2
28 2 75 ASP O 2 94 TYR N 3.400 2.400 3.900 2.888 2.762 3.035 . 0 0 "[ . 1 ]" 2
29 2 51 VAL O 2 91 ALA N 3.400 2.400 3.900 3.102 2.796 3.336 . 0 0 "[ . 1 ]" 2
30 2 51 VAL N 2 91 ALA O 3.400 2.400 3.900 3.169 2.853 3.305 . 0 0 "[ . 1 ]" 2
31 2 49 LEU O 2 93 VAL N 3.400 2.400 3.900 2.885 2.764 3.362 . 0 0 "[ . 1 ]" 2
32 2 49 LEU N 2 93 VAL O 3.400 2.400 3.900 2.906 2.756 2.968 . 0 0 "[ . 1 ]" 2
33 2 52 PHE N 2 119 ARG O 3.400 2.400 3.900 2.999 2.887 3.340 . 0 0 "[ . 1 ]" 2
34 2 52 PHE O 2 119 ARG N 3.400 2.400 3.900 3.377 3.217 3.463 . 0 0 "[ . 1 ]" 2
35 2 50 GLY N 2 121 ASP O 3.400 2.400 3.900 2.906 2.626 3.070 . 0 0 "[ . 1 ]" 2
36 2 50 GLY O 2 121 ASP N 3.400 2.400 3.900 3.419 3.406 3.434 . 0 0 "[ . 1 ]" 2
37 2 102 LYS O 2 106 GLU N 3.400 2.400 3.900 3.374 3.131 3.440 . 0 0 "[ . 1 ]" 2
38 2 97 ASN O 2 101 ALA N 3.400 2.400 3.900 3.095 2.805 3.325 . 0 0 "[ . 1 ]" 2
39 2 104 ALA O 2 108 ALA N 3.400 2.400 3.900 3.375 3.355 3.410 . 0 0 "[ . 1 ]" 2
40 2 98 VAL O 2 102 LYS N 3.400 2.400 3.900 3.271 3.058 3.347 . 0 0 "[ . 1 ]" 2
41 2 60 GLU O 2 64 ARG N 3.400 2.400 3.900 3.044 2.732 3.243 . 0 0 "[ . 1 ]" 2
42 2 64 ARG O 2 68 SER N 3.400 2.400 3.900 3.291 3.202 3.362 . 0 0 "[ . 1 ]" 2
43 2 63 LEU O 2 67 PHE N 3.400 2.400 3.900 3.207 3.134 3.340 . 0 0 "[ . 1 ]" 2
44 2 59 THR O 2 63 LEU N 3.400 2.400 3.900 3.255 3.005 3.423 . 0 0 "[ . 1 ]" 2
stop_
save_
Contact the webmaster for help, if required. Wednesday, June 5, 2024 11:44:19 AM GMT (wattos1)