NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
518847 |
2lej   |
17714 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2lej
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 2113
_Distance_constraint_stats_list.Viol_count 2096
_Distance_constraint_stats_list.Viol_total 7299.918
_Distance_constraint_stats_list.Viol_max 1.963
_Distance_constraint_stats_list.Viol_rms 0.0619
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0086
_Distance_constraint_stats_list.Viol_average_violations_only 0.1741
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 2 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 3 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 4 ASP 0.061 0.022 19 0 "[ . 1 . 2]"
1 5 PRO 1.409 0.700 8 1 "[ . + 1 . 2]"
1 6 GLY 0.003 0.003 19 0 "[ . 1 . 2]"
1 7 GLN 1.346 0.700 8 1 "[ . + 1 . 2]"
1 8 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 GLY 9.782 0.791 14 16 "[* ********** +.** -*]"
1 11 THR 9.795 0.791 14 16 "[* ********** +.** -*]"
1 12 HIS 0.044 0.014 5 0 "[ . 1 . 2]"
1 13 SER 0.070 0.014 14 0 "[ . 1 . 2]"
1 14 GLN 0.070 0.014 14 0 "[ . 1 . 2]"
1 15 TRP 10.792 0.835 10 16 "[****.- **+****.** **]"
1 16 ASN 4.024 1.963 2 2 "[ + . -1 . 2]"
1 17 LYS 0.710 0.290 6 0 "[ . 1 . 2]"
1 18 PRO 3.460 1.963 2 2 "[ + . -1 . 2]"
1 19 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 LYS 0.150 0.029 2 0 "[ . 1 . 2]"
1 21 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 LYS 0.627 0.111 15 0 "[ . 1 . 2]"
1 23 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 ASN 0.067 0.029 6 0 "[ . 1 . 2]"
1 25 MET 14.510 1.071 14 16 "[*****-** *** +*** *2]"
1 26 LYS 17.935 1.071 14 16 "[*****-** *** +*** *2]"
1 27 HIS 0.274 0.265 16 0 "[ . 1 . 2]"
1 28 MET 7.237 0.733 3 3 "[ + * 1- . 2]"
1 29 ALA 2.520 0.356 8 0 "[ . 1 . 2]"
1 30 GLY 0.072 0.017 6 0 "[ . 1 . 2]"
1 31 ALA 4.646 0.733 3 3 "[ + * 1- . 2]"
1 32 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 ALA 4.538 0.285 10 0 "[ . 1 . 2]"
1 34 ALA 6.349 0.531 16 1 "[ . 1 .+ 2]"
1 35 GLY 3.108 0.265 3 0 "[ . 1 . 2]"
1 36 ALA 0.304 0.023 10 0 "[ . 1 . 2]"
1 37 VAL 5.227 0.285 10 0 "[ . 1 . 2]"
1 38 VAL 3.038 0.138 7 0 "[ . 1 . 2]"
1 39 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 LEU 3.641 0.138 7 0 "[ . 1 . 2]"
1 42 GLY 5.240 0.278 7 0 "[ . 1 . 2]"
1 43 GLY 0.270 0.030 1 0 "[ . 1 . 2]"
1 44 TYR 15.567 0.531 16 1 "[ . 1 .+ 2]"
1 45 MET 1.638 0.261 3 0 "[ . 1 . 2]"
1 46 LEU 1.500 0.169 7 0 "[ . 1 . 2]"
1 47 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 SER 5.151 0.276 2 0 "[ . 1 . 2]"
1 49 ALA 1.988 0.276 2 0 "[ . 1 . 2]"
1 50 MET 0.711 0.233 6 0 "[ . 1 . 2]"
1 51 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 52 ARG 1.393 0.202 9 0 "[ . 1 . 2]"
1 53 PRO 0.656 0.249 5 0 "[ . 1 . 2]"
1 54 ILE 0.281 0.056 3 0 "[ . 1 . 2]"
1 55 ILE 39.905 0.581 9 9 "[ *. -+** * .*** 2]"
1 56 HIS 0.364 0.274 5 0 "[ . 1 . 2]"
1 57 PHE 18.430 0.893 17 19 "[*** ************+-**]"
1 58 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 59 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 60 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 61 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 62 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 64 ARG 4.510 0.300 14 0 "[ . 1 . 2]"
1 65 TYR 15.972 0.631 13 8 "[ * . **1- + .* **]"
1 66 TYR 9.935 0.631 13 8 "[ * . **1- + .* **]"
1 67 ARG 0.190 0.033 12 0 "[ . 1 . 2]"
1 68 GLU 4.785 0.300 14 0 "[ . 1 . 2]"
1 69 ASN 0.038 0.006 10 0 "[ . 1 . 2]"
1 70 MET 4.060 0.300 16 0 "[ . 1 . 2]"
1 71 HIS 2.811 0.300 16 0 "[ . 1 . 2]"
1 72 ARG 0.019 0.018 19 0 "[ . 1 . 2]"
1 73 TYR 0.632 0.187 17 0 "[ . 1 . 2]"
1 74 PRO 1.016 0.314 6 0 "[ . 1 . 2]"
1 75 ASN 1.393 0.202 9 0 "[ . 1 . 2]"
1 76 GLN 3.864 0.238 7 0 "[ . 1 . 2]"
1 77 VAL 0.397 0.031 1 0 "[ . 1 . 2]"
1 78 TYR 8.013 0.273 2 0 "[ . 1 . 2]"
1 79 TYR 6.914 0.452 13 0 "[ . 1 . 2]"
1 82 MET 0.605 0.132 1 0 "[ . 1 . 2]"
1 84 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 85 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 88 GLN 16.038 1.531 12 9 "[ * * 1 +**.** *-]"
1 89 ASN 14.244 1.531 12 9 "[ * * 1 +**.-* **]"
1 90 ASN 0.076 0.011 3 0 "[ . 1 . 2]"
1 91 PHE 0.469 0.132 1 0 "[ . 1 . 2]"
1 92 VAL 7.383 0.512 8 1 "[ . + 1 . 2]"
1 93 HIS 9.422 0.512 8 1 "[ . + 1 . 2]"
1 94 ASP 3.697 0.975 14 2 "[ . 1 +. -2]"
1 95 CYS 3.277 0.452 13 0 "[ . 1 . 2]"
1 96 VAL 1.798 0.278 10 0 "[ . 1 . 2]"
1 97 ASN 2.357 0.272 17 0 "[ . 1 . 2]"
1 98 ILE 1.133 0.292 20 0 "[ . 1 . 2]"
1 99 THR 7.265 0.454 9 0 "[ . 1 . 2]"
1 100 ILE 20.185 0.559 4 5 "[ +. * - *. *]"
1 101 LYS 15.787 0.975 14 8 "[ * ** * +. * *-]"
1 103 HIS 0.063 0.019 10 0 "[ . 1 . 2]"
1 104 THR 1.074 0.090 13 0 "[ . 1 . 2]"
1 105 VAL 7.426 0.401 8 0 "[ . 1 . 2]"
1 106 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 107 THR 2.879 0.679 6 1 "[ .+ 1 . 2]"
1 108 THR 8.395 0.569 18 1 "[ . 1 . + 2]"
1 109 THR 7.383 0.401 8 0 "[ . 1 . 2]"
1 110 LYS 0.153 0.016 18 0 "[ . 1 . 2]"
1 111 GLY 6.492 0.569 18 1 "[ . 1 . + 2]"
1 112 GLU 5.084 0.679 6 1 "[ .+ 1 . 2]"
1 113 ASN 0.096 0.013 10 0 "[ . 1 . 2]"
1 114 PHE 0.603 0.103 6 0 "[ . 1 . 2]"
1 115 THR 0.093 0.083 4 0 "[ . 1 . 2]"
1 116 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 117 THR 47.204 0.893 17 20 [***************-+***]
1 118 ASP 7.782 0.499 9 0 "[ . 1 . 2]"
1 119 VAL 0.010 0.006 1 0 "[ . 1 . 2]"
1 120 LYS 29.906 0.741 17 7 "[ . 1 * **+-**]"
1 121 MET 23.584 0.707 20 14 "[** *** *1****.** *+]"
1 122 MET 10.960 0.499 9 0 "[ . 1 . 2]"
1 123 GLU 14.347 0.622 20 5 "[ . 1 * ** - +]"
1 124 ARG 31.954 0.581 9 9 "[ *. **+-* *. * *]"
1 125 VAL 13.488 0.547 8 6 "[ *. +*1 - .* * 2]"
1 126 ILE 15.414 0.506 12 1 "[ . 1 + . 2]"
1 127 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 128 GLN 17.071 0.877 14 8 "[*** - 1* +* *2]"
1 129 MET 13.499 0.877 14 9 "[*** * 1** +- *2]"
1 130 CYS 2.728 0.340 8 0 "[ . 1 . 2]"
1 131 ILE 0.200 0.054 8 0 "[ . 1 . 2]"
1 132 THR 4.003 0.501 14 2 "[ - 1 +. 2]"
1 133 GLN 7.056 0.530 10 2 "[ . +* . 2]"
1 134 TYR 18.314 1.264 18 13 "[ ***. ** **- ***+ *]"
1 135 GLU 0.323 0.143 5 0 "[ . 1 . 2]"
1 136 ARG 0.951 0.226 18 0 "[ . 1 . 2]"
1 137 GLU 6.331 0.530 10 2 "[ . +* . 2]"
1 138 SER 20.122 1.264 18 13 "[ ***. ** **- ***+ *]"
1 139 GLN 0.120 0.047 4 0 "[ . 1 . 2]"
1 140 ALA 0.046 0.012 7 0 "[ . 1 . 2]"
1 141 TYR 1.116 0.513 19 1 "[ . 1 . +2]"
1 142 TYR 0.085 0.047 4 0 "[ . 1 . 2]"
1 143 GLN 0.069 0.034 8 0 "[ . 1 . 2]"
1 144 ARG 0.357 0.163 19 0 "[ . 1 . 2]"
1 145 GLY 0.299 0.163 19 0 "[ . 1 . 2]"
1 146 SER 1.115 0.513 19 1 "[ . 1 . +2]"
1 147 SER 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 28 MET H 1 29 ALA HA 5.330 . 5.330 4.301 3.902 5.058 . 0 0 "[ . 1 . 2]" 1
2 1 28 MET HB2 1 31 ALA MB 4.350 . 4.350 3.964 2.384 4.982 0.632 11 1 "[ . 1+ . 2]" 1
3 1 28 MET HB3 1 31 ALA MB 4.350 . 4.350 3.240 2.216 5.083 0.733 3 2 "[ + - 1 . 2]" 1
4 1 34 ALA MB 1 44 TYR HB3 5.210 . 5.210 5.476 5.226 5.741 0.531 16 1 "[ . 1 .+ 2]" 1
5 1 36 ALA MB 1 45 MET HA 4.110 . 4.110 3.016 2.422 3.435 . 0 0 "[ . 1 . 2]" 1
6 1 34 ALA MB 1 44 TYR HD1 4.220 . 4.220 3.326 2.875 3.758 . 0 0 "[ . 1 . 2]" 1
7 1 34 ALA MB 1 44 TYR HE1 4.150 . 4.150 3.966 3.214 4.538 0.388 16 0 "[ . 1 . 2]" 1
8 1 34 ALA MB 1 45 MET H 5.830 . 5.830 5.751 5.566 5.984 0.154 20 0 "[ . 1 . 2]" 1
9 1 36 ALA MB 1 45 MET H 6.000 . 6.000 5.178 4.865 5.405 . 0 0 "[ . 1 . 2]" 1
10 1 2 ALA MB 1 3 MET H 5.370 . 5.370 2.563 2.078 3.773 . 0 0 "[ . 1 . 2]" 1
11 1 28 MET H 1 29 ALA MB 5.170 . 5.170 4.108 3.505 4.796 . 0 0 "[ . 1 . 2]" 1
12 1 24 ASN H 1 25 MET HA 5.630 . 5.630 4.866 4.224 5.634 0.004 16 0 "[ . 1 . 2]" 1
13 1 114 PHE HD2 1 121 MET HB2 5.930 . 5.930 5.846 5.576 5.940 0.010 14 0 "[ . 1 . 2]" 1
14 1 57 PHE HZ 1 121 MET HB2 5.960 . 5.960 5.505 5.290 5.690 . 0 0 "[ . 1 . 2]" 1
15 1 55 ILE H 1 125 VAL HB 5.990 . 5.990 5.042 4.732 5.702 . 0 0 "[ . 1 . 2]" 1
16 1 110 LYS HB3 1 110 LYS HD3 3.040 . 3.040 2.537 2.331 3.049 0.009 5 0 "[ . 1 . 2]" 1
17 1 54 ILE MD 1 70 MET ME 3.020 . 3.020 2.073 2.000 2.182 . 0 0 "[ . 1 . 2]" 1
18 1 54 ILE MG 1 70 MET ME 4.410 . 4.410 4.330 4.117 4.466 0.056 3 0 "[ . 1 . 2]" 1
19 1 70 MET HB3 1 70 MET ME 2.900 . 2.900 2.341 2.195 2.495 . 0 0 "[ . 1 . 2]" 1
20 1 45 MET HB2 1 45 MET ME 3.050 . 3.050 2.213 2.193 2.231 . 0 0 "[ . 1 . 2]" 1
21 1 70 MET HB2 1 70 MET ME 3.080 . 3.080 2.421 2.291 2.554 . 0 0 "[ . 1 . 2]" 1
22 1 70 MET ME 1 70 MET HG2 3.410 . 3.410 2.659 2.619 2.695 . 0 0 "[ . 1 . 2]" 1
23 1 45 MET ME 1 45 MET HG3 3.030 . 3.030 2.424 2.407 2.455 . 0 0 "[ . 1 . 2]" 1
24 1 67 ARG HA 1 70 MET ME 3.240 . 3.240 2.282 2.115 2.463 . 0 0 "[ . 1 . 2]" 1
25 1 45 MET ME 1 47 GLY HA2 3.570 . 3.570 3.226 2.996 3.520 . 0 0 "[ . 1 . 2]" 1
26 1 66 TYR HD2 1 70 MET ME 4.480 . 4.480 4.410 4.222 4.489 0.009 19 0 "[ . 1 . 2]" 1
27 1 66 TYR HE2 1 70 MET ME 3.580 . 3.580 3.617 3.583 3.646 0.066 5 0 "[ . 1 . 2]" 1
28 1 27 HIS HA 1 28 MET HG2 5.450 . 5.450 4.678 3.288 5.195 . 0 0 "[ . 1 . 2]" 1
29 1 82 MET HB2 1 91 PHE QE 5.470 . 5.470 3.377 2.962 4.001 . 0 0 "[ . 1 . 2]" 1
30 1 98 ILE MD 1 101 LYS HB3 5.290 . 5.290 4.517 4.017 4.744 . 0 0 "[ . 1 . 2]" 1
31 1 98 ILE HA 1 101 LYS HB2 3.620 . 3.620 2.421 2.139 2.585 . 0 0 "[ . 1 . 2]" 1
32 1 4 ASP HA 1 5 PRO HD2 3.960 . 3.960 2.597 2.517 2.720 . 0 0 "[ . 1 . 2]" 1
33 1 4 ASP HA 1 5 PRO HD3 3.960 . 3.960 2.473 2.345 2.596 . 0 0 "[ . 1 . 2]" 1
34 1 20 LYS HA 1 21 PRO HG2 5.910 . 5.910 4.429 4.028 4.567 . 0 0 "[ . 1 . 2]" 1
35 1 20 LYS HA 1 21 PRO HG3 5.910 . 5.910 4.647 4.561 4.778 . 0 0 "[ . 1 . 2]" 1
36 1 18 PRO HG2 1 20 LYS H 5.640 . 5.640 4.967 3.530 5.662 0.022 7 0 "[ . 1 . 2]" 1
37 1 53 PRO HG2 1 125 VAL MG1 4.210 . 4.210 2.897 2.087 3.174 . 0 0 "[ . 1 . 2]" 1
38 1 53 PRO HG2 1 55 ILE HG12 4.230 . 4.230 2.956 2.653 3.390 . 0 0 "[ . 1 . 2]" 1
39 1 53 PRO HG2 1 55 ILE HG13 4.680 . 4.680 3.824 3.543 4.254 . 0 0 "[ . 1 . 2]" 1
40 1 53 PRO HG2 1 55 ILE MG 6.000 . 6.000 5.470 5.249 5.715 . 0 0 "[ . 1 . 2]" 1
41 1 35 GLY HA3 1 45 MET HB3 3.690 . 3.690 2.606 2.538 2.774 . 0 0 "[ . 1 . 2]" 1
42 1 35 GLY HA3 1 45 MET HB2 4.740 . 4.740 4.297 4.212 4.471 . 0 0 "[ . 1 . 2]" 1
43 1 38 VAL HB 1 40 GLY HA3 4.370 . 4.370 4.049 3.939 4.149 . 0 0 "[ . 1 . 2]" 1
44 1 35 GLY HA3 1 44 TYR HA 4.470 . 4.470 2.340 2.245 2.458 . 0 0 "[ . 1 . 2]" 1
45 1 33 ALA HA 1 43 GLY HA3 3.970 . 3.970 2.558 2.436 2.728 . 0 0 "[ . 1 . 2]" 1
46 1 35 GLY HA3 1 79 TYR HD1 6.000 . 6.000 6.083 5.829 6.265 0.265 3 0 "[ . 1 . 2]" 1
47 1 43 GLY HA3 1 44 TYR HD1 4.560 . 4.560 4.257 4.048 4.550 . 0 0 "[ . 1 . 2]" 1
48 1 39 GLY H 1 40 GLY HA3 5.360 . 5.360 5.229 5.185 5.272 . 0 0 "[ . 1 . 2]" 1
49 1 47 GLY HA3 1 79 TYR HD1 6.000 . 6.000 5.556 5.301 5.900 . 0 0 "[ . 1 . 2]" 1
50 1 47 GLY HA3 1 79 TYR HD2 6.000 . 6.000 5.324 4.996 5.529 . 0 0 "[ . 1 . 2]" 1
51 1 40 GLY HA3 1 78 TYR HD2 6.000 . 6.000 5.570 4.858 5.726 . 0 0 "[ . 1 . 2]" 1
52 1 40 GLY HA3 1 78 TYR HE2 4.880 . 4.880 4.594 4.112 4.711 . 0 0 "[ . 1 . 2]" 1
53 1 110 LYS HA 1 110 LYS HD3 3.410 . 3.410 2.191 1.876 2.423 . 0 0 "[ . 1 . 2]" 1
54 1 22 LYS HA 1 22 LYS HG2 3.160 . 3.160 2.819 2.472 3.271 0.111 15 0 "[ . 1 . 2]" 1
55 1 143 GLN HB3 1 144 ARG H 5.070 . 5.070 2.766 2.681 2.862 . 0 0 "[ . 1 . 2]" 1
56 1 121 MET HA 1 121 MET HG2 4.220 . 4.220 3.282 3.220 3.392 . 0 0 "[ . 1 . 2]" 1
57 1 143 GLN HG2 1 144 ARG HA 4.440 . 4.440 3.942 3.816 4.123 . 0 0 "[ . 1 . 2]" 1
58 1 139 GLN HG2 1 142 TYR HD2 4.960 . 4.960 3.861 3.207 4.326 . 0 0 "[ . 1 . 2]" 1
59 1 35 GLY HA2 1 45 MET HB3 4.010 . 4.010 2.899 2.740 3.115 . 0 0 "[ . 1 . 2]" 1
60 1 110 LYS HB3 1 111 GLY HA2 5.730 . 5.730 5.657 5.648 5.678 . 0 0 "[ . 1 . 2]" 1
61 1 37 VAL MG1 1 42 GLY HA3 4.510 . 4.510 3.704 3.421 4.294 . 0 0 "[ . 1 . 2]" 1
62 1 144 ARG HB2 1 145 GLY HA2 6.000 . 6.000 5.142 5.000 5.522 . 0 0 "[ . 1 . 2]" 1
63 1 144 ARG HB2 1 145 GLY HA3 6.000 . 6.000 4.862 4.689 5.260 . 0 0 "[ . 1 . 2]" 1
64 1 11 THR HA 1 11 THR MG 3.450 . 3.450 2.591 2.320 3.260 . 0 0 "[ . 1 . 2]" 1
65 1 22 LYS HB3 1 23 THR HB 5.740 . 5.740 5.054 4.503 5.727 . 0 0 "[ . 1 . 2]" 1
66 1 11 THR MG 1 12 HIS HA 5.630 . 5.630 4.720 3.713 5.644 0.014 5 0 "[ . 1 . 2]" 1
67 1 23 THR MG 1 24 ASN HA 5.890 . 5.890 4.136 3.703 5.436 . 0 0 "[ . 1 . 2]" 1
68 1 79 TYR HA 1 79 TYR HD1 4.660 . 4.660 4.013 3.959 4.089 . 0 0 "[ . 1 . 2]" 1
69 1 79 TYR HA 1 99 THR H 6.000 . 6.000 4.525 4.276 5.012 . 0 0 "[ . 1 . 2]" 1
70 1 11 THR H 1 12 HIS HA 5.690 . 5.690 4.864 4.514 5.410 . 0 0 "[ . 1 . 2]" 1
71 1 48 SER HA 1 49 ALA MB 4.860 . 4.860 4.078 3.981 4.159 . 0 0 "[ . 1 . 2]" 1
72 1 51 SER HA 1 51 SER HB2 3.050 . 3.050 2.494 2.483 2.505 . 0 0 "[ . 1 . 2]" 1
73 1 50 MET HA 1 51 SER HB2 5.380 . 5.380 4.620 4.521 4.678 . 0 0 "[ . 1 . 2]" 1
74 1 66 TYR HD2 1 67 ARG HB3 6.000 . 6.000 5.138 4.956 5.379 . 0 0 "[ . 1 . 2]" 1
75 1 67 ARG HB3 1 69 ASN H 6.000 . 6.000 5.488 5.278 5.640 . 0 0 "[ . 1 . 2]" 1
76 1 121 MET H 1 124 ARG HB2 6.000 . 6.000 5.524 5.320 5.708 . 0 0 "[ . 1 . 2]" 1
77 1 66 TYR HD2 1 67 ARG HB2 4.980 . 4.980 4.595 4.039 4.905 . 0 0 "[ . 1 . 2]" 1
78 1 57 PHE QD 1 120 LYS HD2 5.230 . 5.230 4.090 2.949 4.692 . 0 0 "[ . 1 . 2]" 1
79 1 52 ARG HB2 1 66 TYR HE2 6.000 . 6.000 4.790 3.959 5.450 . 0 0 "[ . 1 . 2]" 1
80 1 52 ARG HB2 1 66 TYR HE1 6.000 . 6.000 5.135 5.103 5.146 . 0 0 "[ . 1 . 2]" 1
81 1 125 VAL H 1 127 GLU HB2 5.840 . 5.840 5.179 4.932 5.405 . 0 0 "[ . 1 . 2]" 1
82 1 127 GLU HB2 1 129 MET H 6.000 . 6.000 5.371 5.276 5.422 . 0 0 "[ . 1 . 2]" 1
83 1 123 GLU HB3 1 124 ARG H 5.100 . 5.100 3.891 3.184 3.994 . 0 0 "[ . 1 . 2]" 1
84 1 142 TYR HD2 1 143 GLN HB3 5.790 . 5.790 4.748 4.300 5.197 . 0 0 "[ . 1 . 2]" 1
85 1 100 ILE H 1 123 GLU HB2 5.950 . 5.950 4.925 4.624 5.216 . 0 0 "[ . 1 . 2]" 1
86 1 66 TYR HD2 1 67 ARG HG3 4.930 . 4.930 3.856 2.343 4.622 . 0 0 "[ . 1 . 2]" 1
87 1 139 GLN HB2 1 142 TYR HD2 5.320 . 5.320 5.248 4.998 5.326 0.006 19 0 "[ . 1 . 2]" 1
88 1 14 GLN HA 1 14 GLN HG3 4.190 . 4.190 3.710 3.678 3.728 . 0 0 "[ . 1 . 2]" 1
89 1 46 LEU MD1 1 76 GLN HG3 4.370 . 4.370 2.271 2.206 2.373 . 0 0 "[ . 1 . 2]" 1
90 1 14 GLN HB2 1 14 GLN HG2 3.110 . 3.110 2.492 2.452 2.596 . 0 0 "[ . 1 . 2]" 1
91 1 65 TYR HE2 1 121 MET HB3 5.320 . 5.320 5.251 4.490 5.880 0.560 19 1 "[ . 1 . +2]" 1
92 1 82 MET HG2 1 91 PHE HZ 5.530 . 5.530 4.932 4.097 5.541 0.011 8 0 "[ . 1 . 2]" 1
93 1 82 MET HG3 1 91 PHE HZ 5.530 . 5.530 5.165 2.414 5.662 0.132 1 0 "[ . 1 . 2]" 1
94 1 26 LYS HB3 1 27 HIS HD2 5.710 . 5.710 5.135 2.868 5.713 0.003 20 0 "[ . 1 . 2]" 1
95 1 114 PHE HD2 1 122 MET HG2 5.660 . 5.660 4.722 4.504 5.193 . 0 0 "[ . 1 . 2]" 1
96 1 76 GLN HB2 1 76 GLN HE22 5.220 . 5.220 3.616 3.597 3.653 . 0 0 "[ . 1 . 2]" 1
97 1 73 TYR HD2 1 122 MET HG2 5.080 . 5.080 4.505 4.190 4.669 . 0 0 "[ . 1 . 2]" 1
98 1 15 TRP HA 1 15 TRP HE3 3.810 . 3.810 4.271 2.265 4.645 0.835 10 16 "[****.- **+****.** **]" 1
99 1 56 HIS HB3 1 56 HIS HD2 3.920 . 3.920 3.709 3.556 3.969 0.049 5 0 "[ . 1 . 2]" 1
100 1 70 MET HB3 1 71 HIS HB2 5.560 . 5.560 4.779 4.582 4.932 . 0 0 "[ . 1 . 2]" 1
101 1 15 TRP HE3 1 16 ASN HA 4.950 . 4.950 3.938 2.869 4.707 . 0 0 "[ . 1 . 2]" 1
102 1 15 TRP HZ3 1 16 ASN HA 6.000 . 6.000 4.979 4.018 6.002 0.002 15 0 "[ . 1 . 2]" 1
103 1 62 GLU QG 1 65 TYR HB2 5.110 . 5.110 4.756 4.693 4.817 . 0 0 "[ . 1 . 2]" 1
104 1 65 TYR HB2 1 121 MET ME 5.820 . 5.820 4.898 4.777 5.050 . 0 0 "[ . 1 . 2]" 1
105 1 64 ARG HG3 1 65 TYR HB2 4.590 . 4.590 3.953 3.766 4.270 . 0 0 "[ . 1 . 2]" 1
106 1 17 LYS HA 1 18 PRO HD2 3.100 . 3.100 2.603 2.359 2.863 . 0 0 "[ . 1 . 2]" 1
107 1 46 LEU HA 1 46 LEU HG 3.960 . 3.960 3.474 3.439 3.505 . 0 0 "[ . 1 . 2]" 1
108 1 16 ASN QD 1 17 LYS HA 5.180 . 5.180 4.631 4.188 5.046 . 0 0 "[ . 1 . 2]" 1
109 1 53 PRO HB2 1 55 ILE HG12 4.410 . 4.410 3.308 3.061 3.892 . 0 0 "[ . 1 . 2]" 1
110 1 53 PRO HB2 1 55 ILE HG13 5.270 . 5.270 4.444 4.167 4.906 . 0 0 "[ . 1 . 2]" 1
111 1 53 PRO HB2 1 55 ILE MG 6.000 . 6.000 5.449 5.241 5.551 . 0 0 "[ . 1 . 2]" 1
112 1 17 LYS HB3 1 18 PRO HD2 4.550 . 4.550 2.838 2.206 3.930 . 0 0 "[ . 1 . 2]" 1
113 1 120 LYS HB2 1 120 LYS HD3 3.490 . 3.490 2.257 2.013 2.497 . 0 0 "[ . 1 . 2]" 1
114 1 22 LYS HB3 1 22 LYS HD2 3.950 . 3.950 2.895 2.406 3.814 . 0 0 "[ . 1 . 2]" 1
115 1 22 LYS HB3 1 22 LYS HD3 3.950 . 3.950 2.866 2.373 3.668 . 0 0 "[ . 1 . 2]" 1
116 1 52 ARG HB2 1 54 ILE MD 4.740 . 4.740 4.007 3.534 4.509 . 0 0 "[ . 1 . 2]" 1
117 1 120 LYS HD2 1 121 MET HA 4.630 . 4.630 3.794 3.245 4.229 . 0 0 "[ . 1 . 2]" 1
118 1 120 LYS HD3 1 121 MET HA 4.830 . 4.830 3.472 3.040 3.842 . 0 0 "[ . 1 . 2]" 1
119 1 120 LYS HA 1 120 LYS HD3 4.310 . 4.310 4.085 3.947 4.330 0.020 10 0 "[ . 1 . 2]" 1
120 1 98 ILE HA 1 101 LYS HD3 4.000 . 4.000 2.896 2.214 3.327 . 0 0 "[ . 1 . 2]" 1
121 1 110 LYS HA 1 110 LYS HE2 4.130 . 4.130 2.986 2.255 4.040 . 0 0 "[ . 1 . 2]" 1
122 1 22 LYS HA 1 22 LYS HE2 6.000 . 6.000 4.966 4.424 6.012 0.012 12 0 "[ . 1 . 2]" 1
123 1 22 LYS HA 1 22 LYS HE3 6.000 . 6.000 5.011 4.390 5.858 . 0 0 "[ . 1 . 2]" 1
124 1 109 THR HB 1 110 LYS HE2 6.000 . 6.000 5.282 4.853 5.906 . 0 0 "[ . 1 . 2]" 1
125 1 57 PHE HB2 1 58 GLY HA2 4.530 . 4.530 4.219 4.071 4.325 . 0 0 "[ . 1 . 2]" 1
126 1 120 LYS HB2 1 120 LYS HE2 3.970 . 3.970 3.031 2.549 4.001 0.031 9 0 "[ . 1 . 2]" 1
127 1 110 LYS HD2 1 110 LYS HE3 2.950 . 2.950 2.376 2.302 2.440 . 0 0 "[ . 1 . 2]" 1
128 1 110 LYS HE2 1 110 LYS HG2 3.190 . 3.190 2.280 2.180 2.379 . 0 0 "[ . 1 . 2]" 1
129 1 17 LYS HG3 1 18 PRO HD2 5.670 . 5.670 4.630 3.743 5.002 . 0 0 "[ . 1 . 2]" 1
130 1 98 ILE HA 1 101 LYS HG3 5.660 . 5.660 4.399 4.055 5.063 . 0 0 "[ . 1 . 2]" 1
131 1 26 LYS H 1 26 LYS HG2 5.420 . 5.420 3.053 2.482 3.290 . 0 0 "[ . 1 . 2]" 1
132 1 16 ASN QD 1 18 PRO HA 6.000 . 6.000 4.250 3.010 7.963 1.963 2 2 "[ + . -1 . 2]" 1
133 1 89 ASN HA 1 92 VAL HB 4.210 . 4.210 4.099 3.879 4.211 0.001 20 0 "[ . 1 . 2]" 1
134 1 96 VAL HB 1 127 GLU HA 4.350 . 4.350 2.670 2.435 3.262 . 0 0 "[ . 1 . 2]" 1
135 1 35 GLY HA3 1 45 MET HG2 4.220 . 4.220 3.627 3.472 3.769 . 0 0 "[ . 1 . 2]" 1
136 1 131 ILE HA 1 133 GLN HG3 5.390 . 5.390 4.960 4.815 5.144 . 0 0 "[ . 1 . 2]" 1
137 1 73 TYR HE2 1 121 MET HB3 5.440 . 5.440 3.580 3.444 3.941 . 0 0 "[ . 1 . 2]" 1
138 1 45 MET HG3 1 79 TYR HE1 4.330 . 4.330 2.497 2.394 2.686 . 0 0 "[ . 1 . 2]" 1
139 1 18 PRO HB2 1 20 LYS H 5.210 . 5.210 4.392 2.587 5.239 0.029 2 0 "[ . 1 . 2]" 1
140 1 131 ILE H 1 133 GLN HG2 5.520 . 5.520 5.019 4.828 5.243 . 0 0 "[ . 1 . 2]" 1
141 1 96 VAL HB 1 99 THR H 5.530 . 5.530 5.521 5.141 5.808 0.278 10 0 "[ . 1 . 2]" 1
142 1 55 ILE HG12 1 125 VAL HB 4.670 . 4.670 3.827 3.514 4.612 . 0 0 "[ . 1 . 2]" 1
143 1 100 ILE MG 1 101 LYS HB2 4.930 . 4.930 4.020 3.907 4.143 . 0 0 "[ . 1 . 2]" 1
144 1 41 LEU MD1 1 101 LYS HB3 5.320 . 5.320 4.159 3.441 4.511 . 0 0 "[ . 1 . 2]" 1
145 1 55 ILE HG13 1 125 VAL HB 5.980 . 5.980 4.451 4.226 5.016 . 0 0 "[ . 1 . 2]" 1
146 1 117 THR MG 1 120 LYS HB3 6.000 . 6.000 5.718 5.467 5.843 . 0 0 "[ . 1 . 2]" 1
147 1 22 LYS HB3 1 22 LYS HE2 5.690 . 5.690 4.299 2.159 4.893 . 0 0 "[ . 1 . 2]" 1
148 1 22 LYS HB3 1 22 LYS HE3 5.690 . 5.690 4.285 2.947 4.707 . 0 0 "[ . 1 . 2]" 1
149 1 120 LYS HB2 1 120 LYS HE3 3.970 . 3.970 3.689 2.936 4.208 0.238 5 0 "[ . 1 . 2]" 1
150 1 20 LYS HB3 1 21 PRO HD2 4.780 . 4.780 4.319 4.107 4.737 . 0 0 "[ . 1 . 2]" 1
151 1 65 TYR HE2 1 121 MET HB2 5.230 . 5.230 4.900 4.046 5.433 0.203 19 0 "[ . 1 . 2]" 1
152 1 17 LYS HG2 1 18 PRO HD2 5.670 . 5.670 4.645 2.099 5.074 . 0 0 "[ . 1 . 2]" 1
153 1 17 LYS HB2 1 18 PRO HD2 4.550 . 4.550 3.596 2.199 4.365 . 0 0 "[ . 1 . 2]" 1
154 1 20 LYS HB2 1 21 PRO HD2 4.780 . 4.780 4.197 4.020 4.396 . 0 0 "[ . 1 . 2]" 1
155 1 20 LYS HA 1 21 PRO HD2 3.130 . 3.130 2.293 1.986 2.440 . 0 0 "[ . 1 . 2]" 1
156 1 17 LYS HA 1 18 PRO HD3 3.070 . 3.070 2.452 2.254 2.621 . 0 0 "[ . 1 . 2]" 1
157 1 57 PHE QD 1 124 ARG HG2 5.550 . 5.550 4.612 4.262 4.846 . 0 0 "[ . 1 . 2]" 1
158 1 57 PHE QE 1 124 ARG HG2 4.430 . 4.430 4.031 3.900 4.187 . 0 0 "[ . 1 . 2]" 1
159 1 55 ILE HG13 1 124 ARG HG2 5.890 . 5.890 6.012 6.003 6.028 0.138 10 0 "[ . 1 . 2]" 1
160 1 48 SER HA 1 76 GLN HB2 4.130 . 4.130 3.974 3.835 4.116 . 0 0 "[ . 1 . 2]" 1
161 1 48 SER HA 1 76 GLN HB3 4.220 . 4.220 4.218 4.185 4.229 0.009 14 0 "[ . 1 . 2]" 1
162 1 18 PRO HB2 1 19 SER HA 5.210 . 5.210 4.437 4.073 4.870 . 0 0 "[ . 1 . 2]" 1
163 1 82 MET HA 1 91 PHE HZ 5.050 . 5.050 3.252 2.222 3.756 . 0 0 "[ . 1 . 2]" 1
164 1 141 TYR HD2 1 146 SER HB2 6.000 . 6.000 4.146 2.389 5.863 . 0 0 "[ . 1 . 2]" 1
165 1 141 TYR HD2 1 146 SER HB3 6.000 . 6.000 4.130 2.194 5.671 . 0 0 "[ . 1 . 2]" 1
166 1 48 SER HA 1 48 SER HB3 3.130 . 3.130 2.364 2.243 2.426 . 0 0 "[ . 1 . 2]" 1
167 1 48 SER HB3 1 50 MET ME 5.820 . 5.820 4.663 4.263 5.195 . 0 0 "[ . 1 . 2]" 1
168 1 48 SER HB3 1 49 ALA MB 4.930 . 4.930 4.542 4.056 5.206 0.276 2 0 "[ . 1 . 2]" 1
169 1 20 LYS HA 1 20 LYS HG2 4.460 . 4.460 3.232 2.842 3.865 . 0 0 "[ . 1 . 2]" 1
170 1 20 LYS HA 1 20 LYS HG3 4.460 . 4.460 2.666 2.415 3.146 . 0 0 "[ . 1 . 2]" 1
171 1 101 LYS HA 1 101 LYS HD2 4.050 . 4.050 3.899 2.455 4.103 0.053 10 0 "[ . 1 . 2]" 1
172 1 98 ILE HA 1 101 LYS HD2 4.430 . 4.430 2.529 1.939 4.071 . 0 0 "[ . 1 . 2]" 1
173 1 98 ILE MD 1 101 LYS HD2 4.120 . 4.120 2.833 2.509 4.170 0.050 19 0 "[ . 1 . 2]" 1
174 1 57 PHE QE 1 120 LYS HG3 6.000 . 6.000 6.104 5.125 6.741 0.741 17 2 "[ . 1 . + -2]" 1
175 1 101 LYS HD3 1 101 LYS HG2 3.140 . 3.140 2.477 2.393 2.589 . 0 0 "[ . 1 . 2]" 1
176 1 119 VAL MG2 1 120 LYS HG2 4.950 . 4.950 4.454 4.255 4.633 . 0 0 "[ . 1 . 2]" 1
177 1 98 ILE MD 1 101 LYS HG3 5.140 . 5.140 4.699 4.461 5.141 0.001 19 0 "[ . 1 . 2]" 1
178 1 98 ILE MD 1 101 LYS HG2 5.280 . 5.280 4.608 3.327 4.987 . 0 0 "[ . 1 . 2]" 1
179 1 117 THR MG 1 120 LYS HG3 3.990 . 3.990 4.014 3.907 4.196 0.206 9 0 "[ . 1 . 2]" 1
180 1 25 MET HA 1 26 LYS HG2 4.480 . 4.480 3.576 3.312 3.739 . 0 0 "[ . 1 . 2]" 1
181 1 22 LYS HA 1 22 LYS HG3 3.820 . 3.820 3.428 3.051 3.902 0.082 15 0 "[ . 1 . 2]" 1
182 1 110 LYS HA 1 110 LYS HG2 3.950 . 3.950 2.935 2.771 3.029 . 0 0 "[ . 1 . 2]" 1
183 1 120 LYS HG3 1 121 MET HA 4.060 . 4.060 4.270 3.896 4.594 0.534 17 2 "[ . 1 . + -]" 1
184 1 117 THR HA 1 120 LYS HG2 4.300 . 4.300 2.442 2.270 2.600 . 0 0 "[ . 1 . 2]" 1
185 1 133 GLN HG3 1 134 TYR HA 4.410 . 4.410 3.508 3.345 3.693 . 0 0 "[ . 1 . 2]" 1
186 1 128 GLN QG 1 129 MET QG . . 4.560 4.955 4.389 5.437 0.877 14 8 "[*** * 1* +- *2]" 1
187 1 129 MET QG 1 132 THR MG 4.650 . 4.650 3.585 3.360 3.802 . 0 0 "[ . 1 . 2]" 1
188 1 143 GLN HA 1 143 GLN HB2 2.900 . 2.900 2.503 2.486 2.519 . 0 0 "[ . 1 . 2]" 1
189 1 26 LYS HA 1 26 LYS HG2 4.030 . 4.030 3.129 2.995 3.221 . 0 0 "[ . 1 . 2]" 1
190 1 109 THR MG 1 110 LYS HA 4.240 . 4.240 3.646 3.563 3.722 . 0 0 "[ . 1 . 2]" 1
191 1 89 ASN HA 1 92 VAL MG1 3.710 . 3.710 2.616 2.252 2.928 . 0 0 "[ . 1 . 2]" 1
192 1 120 LYS HD2 1 121 MET HG2 5.600 . 5.600 3.266 2.940 3.947 . 0 0 "[ . 1 . 2]" 1
193 1 110 LYS HA 1 110 LYS HE3 5.220 . 5.220 4.112 3.790 4.606 . 0 0 "[ . 1 . 2]" 1
194 1 117 THR HA 1 120 LYS HG3 4.490 . 4.490 2.934 2.662 3.310 . 0 0 "[ . 1 . 2]" 1
195 1 120 LYS HA 1 120 LYS HG3 4.210 . 4.210 3.607 3.582 3.638 . 0 0 "[ . 1 . 2]" 1
196 1 27 HIS HA 1 28 MET HG3 5.450 . 5.450 4.172 3.569 5.199 . 0 0 "[ . 1 . 2]" 1
197 1 70 MET HG2 1 71 HIS HB2 5.590 . 5.590 5.702 5.446 5.890 0.300 16 0 "[ . 1 . 2]" 1
198 1 69 ASN HA 1 69 ASN HD21 3.870 . 3.870 3.451 3.358 3.551 . 0 0 "[ . 1 . 2]" 1
199 1 52 ARG HA 1 53 PRO HD2 3.910 . 3.910 2.340 2.215 2.471 . 0 0 "[ . 1 . 2]" 1
200 1 52 ARG HA 1 53 PRO HD3 4.340 . 4.340 2.539 2.451 2.643 . 0 0 "[ . 1 . 2]" 1
201 1 122 MET ME 1 122 MET HG3 3.910 . 3.910 3.381 3.348 3.405 . 0 0 "[ . 1 . 2]" 1
202 1 38 VAL HB 1 41 LEU MD1 4.640 . 4.640 4.754 4.544 4.778 0.138 7 0 "[ . 1 . 2]" 1
203 1 33 ALA HA 1 37 VAL MG2 4.280 . 4.280 4.503 4.212 4.565 0.285 10 0 "[ . 1 . 2]" 1
204 1 49 ALA MB 1 50 MET HA 5.480 . 5.480 4.263 4.049 4.498 . 0 0 "[ . 1 . 2]" 1
205 1 49 ALA MB 1 75 ASN HA 4.670 . 4.670 4.441 4.307 4.610 . 0 0 "[ . 1 . 2]" 1
206 1 49 ALA MB 1 75 ASN HB3 4.320 . 4.320 2.472 2.189 2.837 . 0 0 "[ . 1 . 2]" 1
207 1 36 ALA MB 1 45 MET HB2 3.370 . 3.370 2.766 2.560 2.922 . 0 0 "[ . 1 . 2]" 1
208 1 58 GLY HA3 1 62 GLU QB . . 4.080 3.513 3.051 3.730 . 0 0 "[ . 1 . 2]" 1
209 1 111 GLY HA2 1 112 GLU HB2 5.380 . 5.380 5.094 4.921 5.277 . 0 0 "[ . 1 . 2]" 1
210 1 108 THR MG 1 111 GLY HA2 6.000 . 6.000 6.292 6.008 6.569 0.569 18 1 "[ . 1 . + 2]" 1
211 1 58 GLY HA3 1 59 SER HA 4.950 . 4.950 4.579 4.402 4.671 . 0 0 "[ . 1 . 2]" 1
212 1 43 GLY HA3 1 44 TYR HE1 4.730 . 4.730 4.476 4.219 4.725 . 0 0 "[ . 1 . 2]" 1
213 1 36 ALA HA 1 37 VAL HB 4.910 . 4.910 4.324 4.245 4.455 . 0 0 "[ . 1 . 2]" 1
214 1 36 ALA HA 1 45 MET HB2 5.640 . 5.640 5.191 4.809 5.359 . 0 0 "[ . 1 . 2]" 1
215 1 49 ALA HA 1 75 ASN HB3 4.690 . 4.690 3.398 2.896 3.768 . 0 0 "[ . 1 . 2]" 1
216 1 41 LEU MD2 1 45 MET HA 5.060 . 5.060 4.605 3.458 4.798 . 0 0 "[ . 1 . 2]" 1
217 1 46 LEU HA 1 78 TYR HD2 4.620 . 4.620 3.045 2.858 3.191 . 0 0 "[ . 1 . 2]" 1
218 1 46 LEU HA 1 78 TYR HE2 4.920 . 4.920 4.487 4.154 4.775 . 0 0 "[ . 1 . 2]" 1
219 1 46 LEU HA 1 79 TYR HE1 5.180 . 5.180 5.060 4.990 5.122 . 0 0 "[ . 1 . 2]" 1
220 1 37 VAL MG2 1 43 GLY HA2 4.780 . 4.780 3.138 2.827 3.468 . 0 0 "[ . 1 . 2]" 1
221 1 37 VAL HA 1 42 GLY HA2 4.120 . 4.120 3.370 3.020 3.896 . 0 0 "[ . 1 . 2]" 1
222 1 66 TYR HA 1 70 MET HB2 5.250 . 5.250 4.718 4.550 4.853 . 0 0 "[ . 1 . 2]" 1
223 1 38 VAL HA 1 38 VAL MG1 2.900 . 2.900 2.218 2.195 2.248 . 0 0 "[ . 1 . 2]" 1
224 1 37 VAL HA 1 37 VAL MG1 3.070 . 3.070 2.444 2.398 2.467 . 0 0 "[ . 1 . 2]" 1
225 1 38 VAL MG1 1 78 TYR HE2 3.560 . 3.560 2.328 2.098 3.518 . 0 0 "[ . 1 . 2]" 1
226 1 38 VAL MG2 1 45 MET HA 4.650 . 4.650 2.192 2.114 2.254 . 0 0 "[ . 1 . 2]" 1
227 1 36 ALA HA 1 37 VAL MG2 4.210 . 4.210 3.337 3.189 3.468 . 0 0 "[ . 1 . 2]" 1
228 1 37 VAL HA 1 37 VAL MG2 3.100 . 3.100 2.428 2.397 2.527 . 0 0 "[ . 1 . 2]" 1
229 1 105 VAL HA 1 105 VAL MG2 2.910 . 2.910 2.300 2.292 2.313 . 0 0 "[ . 1 . 2]" 1
230 1 38 VAL MG1 1 45 MET HA 4.790 . 4.790 4.428 4.374 4.484 . 0 0 "[ . 1 . 2]" 1
231 1 37 VAL MG1 1 42 GLY HA2 3.330 . 3.330 2.445 2.227 3.075 . 0 0 "[ . 1 . 2]" 1
232 1 96 VAL QG 1 130 CYS HB3 4.880 . 4.880 2.611 2.352 2.880 . 0 0 "[ . 1 . 2]" 1
233 1 38 VAL MG2 1 44 TYR HB2 4.560 . 4.560 3.715 3.584 4.352 . 0 0 "[ . 1 . 2]" 1
234 1 33 ALA MB 1 37 VAL MG2 4.110 . 4.110 2.437 2.236 2.581 . 0 0 "[ . 1 . 2]" 1
235 1 105 VAL MG2 1 109 THR MG 3.490 . 3.490 3.051 2.936 3.185 . 0 0 "[ . 1 . 2]" 1
236 1 38 VAL MG2 1 41 LEU HB2 3.790 . 3.790 3.104 2.911 3.631 . 0 0 "[ . 1 . 2]" 1
237 1 38 VAL MG1 1 46 LEU MD2 3.130 . 3.130 2.339 2.209 2.489 . 0 0 "[ . 1 . 2]" 1
238 1 62 GLU QG 1 117 THR MG 3.870 . 3.870 3.353 2.694 3.619 . 0 0 "[ . 1 . 2]" 1
239 1 117 THR MG 1 120 LYS HD2 4.380 . 4.380 3.604 3.239 4.305 . 0 0 "[ . 1 . 2]" 1
240 1 117 THR MG 1 120 LYS HG2 3.680 . 3.680 3.892 3.677 4.063 0.383 16 0 "[ . 1 . 2]" 1
241 1 117 THR MG 1 118 ASP HB3 5.700 . 5.700 5.769 5.596 6.002 0.302 4 0 "[ . 1 . 2]" 1
242 1 117 THR MG 1 118 ASP HA 4.410 . 4.410 3.966 3.825 4.161 . 0 0 "[ . 1 . 2]" 1
243 1 53 PRO HB3 1 55 ILE MD 4.700 . 4.700 3.931 3.657 4.090 . 0 0 "[ . 1 . 2]" 1
244 1 38 VAL MG1 1 46 LEU MD1 4.350 . 4.350 3.669 3.434 4.092 . 0 0 "[ . 1 . 2]" 1
245 1 57 PHE QD 1 117 THR MG 5.010 . 5.010 5.695 5.401 5.903 0.893 17 19 "[*** ************+-**]" 1
246 1 65 TYR HE2 1 117 THR MG 3.650 . 3.650 3.839 3.769 3.857 0.207 10 0 "[ . 1 . 2]" 1
247 1 92 VAL MG2 1 96 VAL H 5.420 . 5.420 4.726 4.435 5.065 . 0 0 "[ . 1 . 2]" 1
248 1 92 VAL MG2 1 95 CYS H 5.300 . 5.300 4.728 4.592 4.827 . 0 0 "[ . 1 . 2]" 1
249 1 37 VAL HB 1 43 GLY HA2 6.000 . 6.000 5.988 5.609 6.030 0.030 1 0 "[ . 1 . 2]" 1
250 1 57 PHE HA 1 58 GLY HA2 5.160 . 5.160 4.565 4.459 4.630 . 0 0 "[ . 1 . 2]" 1
251 1 47 GLY HA3 1 76 GLN HA 6.000 . 6.000 5.463 5.398 5.524 . 0 0 "[ . 1 . 2]" 1
252 1 48 SER HB2 1 76 GLN HA 6.000 . 6.000 5.852 5.632 6.007 0.007 13 0 "[ . 1 . 2]" 1
253 1 69 ASN HA 1 72 ARG HD3 4.960 . 4.960 4.092 2.858 4.390 . 0 0 "[ . 1 . 2]" 1
254 1 49 ALA MB 1 76 GLN HA 4.510 . 4.510 4.011 3.837 4.234 . 0 0 "[ . 1 . 2]" 1
255 1 41 LEU HB2 1 45 MET HA 6.000 . 6.000 5.376 5.123 5.575 . 0 0 "[ . 1 . 2]" 1
256 1 41 LEU HB2 1 42 GLY HA2 4.960 . 4.960 4.561 4.456 4.636 . 0 0 "[ . 1 . 2]" 1
257 1 41 LEU HB2 1 98 ILE MG 5.260 . 5.260 4.357 4.201 4.557 . 0 0 "[ . 1 . 2]" 1
258 1 38 VAL HB 1 41 LEU HB2 5.080 . 5.080 3.421 3.106 4.165 . 0 0 "[ . 1 . 2]" 1
259 1 41 LEU HB2 1 44 TYR HB2 5.250 . 5.250 2.965 2.798 3.173 . 0 0 "[ . 1 . 2]" 1
260 1 38 VAL HB 1 41 LEU HB3 5.940 . 5.940 5.101 4.817 5.742 . 0 0 "[ . 1 . 2]" 1
261 1 41 LEU HB2 1 44 TYR HE2 5.660 . 5.660 5.555 5.418 5.659 . 0 0 "[ . 1 . 2]" 1
262 1 41 LEU HB3 1 44 TYR HD2 4.330 . 4.330 2.272 2.165 2.441 . 0 0 "[ . 1 . 2]" 1
263 1 41 LEU HB3 1 44 TYR HE2 4.410 . 4.410 3.872 3.746 3.979 . 0 0 "[ . 1 . 2]" 1
264 1 41 LEU MD1 1 98 ILE MG 3.870 . 3.870 2.286 2.104 2.471 . 0 0 "[ . 1 . 2]" 1
265 1 41 LEU MD1 1 44 TYR HB2 4.820 . 4.820 3.889 3.761 4.078 . 0 0 "[ . 1 . 2]" 1
266 1 40 GLY HA3 1 41 LEU MD1 4.160 . 4.160 3.796 3.167 4.061 . 0 0 "[ . 1 . 2]" 1
267 1 41 LEU MD1 1 98 ILE HA 5.430 . 5.430 4.091 3.845 4.498 . 0 0 "[ . 1 . 2]" 1
268 1 41 LEU HA 1 41 LEU MD1 3.470 . 3.470 2.237 2.173 2.410 . 0 0 "[ . 1 . 2]" 1
269 1 41 LEU MD1 1 78 TYR HE2 5.200 . 5.200 5.135 4.305 5.248 0.048 8 0 "[ . 1 . 2]" 1
270 1 41 LEU MD2 1 78 TYR HE2 3.820 . 3.820 3.133 2.902 3.446 . 0 0 "[ . 1 . 2]" 1
271 1 40 GLY HA3 1 41 LEU MD2 4.110 . 4.110 2.835 2.724 3.258 . 0 0 "[ . 1 . 2]" 1
272 1 41 LEU MD2 1 44 TYR HB2 4.140 . 4.140 3.316 2.808 3.542 . 0 0 "[ . 1 . 2]" 1
273 1 38 VAL HB 1 41 LEU MD2 4.060 . 4.060 2.328 2.231 2.517 . 0 0 "[ . 1 . 2]" 1
274 1 41 LEU HB2 1 41 LEU MD2 3.130 . 3.130 2.229 2.007 2.268 . 0 0 "[ . 1 . 2]" 1
275 1 38 VAL MG1 1 41 LEU MD2 3.840 . 3.840 3.248 3.099 3.572 . 0 0 "[ . 1 . 2]" 1
276 1 41 LEU MD2 1 98 ILE MG 3.830 . 3.830 3.177 2.919 3.448 . 0 0 "[ . 1 . 2]" 1
277 1 41 LEU HG 1 44 TYR HA 5.980 . 5.980 5.337 5.066 5.549 . 0 0 "[ . 1 . 2]" 1
278 1 41 LEU HG 1 44 TYR HD2 4.430 . 4.430 2.284 2.106 2.482 . 0 0 "[ . 1 . 2]" 1
279 1 41 LEU HG 1 44 TYR HE2 4.820 . 4.820 4.584 4.375 4.805 . 0 0 "[ . 1 . 2]" 1
280 1 41 LEU MD2 1 42 GLY HA2 5.580 . 5.580 5.601 5.331 5.668 0.088 11 0 "[ . 1 . 2]" 1
281 1 43 GLY HA2 1 44 TYR HD1 5.430 . 5.430 5.036 4.883 5.259 . 0 0 "[ . 1 . 2]" 1
282 1 43 GLY HA2 1 44 TYR HE1 6.000 . 6.000 5.848 5.659 6.003 0.003 3 0 "[ . 1 . 2]" 1
283 1 94 ASP HA 1 97 ASN HB3 3.160 . 3.160 2.564 2.267 2.855 . 0 0 "[ . 1 . 2]" 1
284 1 94 ASP HA 1 97 ASN HB2 3.420 . 3.420 2.879 2.452 3.084 . 0 0 "[ . 1 . 2]" 1
285 1 41 LEU HB2 1 44 TYR HA 5.350 . 5.350 5.077 4.750 5.163 . 0 0 "[ . 1 . 2]" 1
286 1 60 ASP HA 1 64 ARG HB3 5.260 . 5.260 4.904 4.431 5.024 . 0 0 "[ . 1 . 2]" 1
287 1 60 ASP HA 1 64 ARG HG2 5.710 . 5.710 5.301 4.726 5.662 . 0 0 "[ . 1 . 2]" 1
288 1 82 MET HA 1 82 MET ME 5.380 . 5.380 4.445 3.954 4.688 . 0 0 "[ . 1 . 2]" 1
289 1 94 ASP HA 1 101 LYS HD2 6.000 . 6.000 5.847 5.373 6.975 0.975 14 2 "[ . 1 +. -2]" 1
290 1 65 TYR HE2 1 118 ASP HA 3.890 . 3.890 2.869 2.330 3.164 . 0 0 "[ . 1 . 2]" 1
291 1 141 TYR HD2 1 146 SER HA 4.370 . 4.370 3.139 2.319 4.883 0.513 19 1 "[ . 1 . +2]" 1
292 1 73 TYR HE2 1 118 ASP HA 5.270 . 5.270 4.622 4.330 4.794 . 0 0 "[ . 1 . 2]" 1
293 1 44 TYR HA 1 44 TYR HD1 3.790 . 3.790 2.261 2.201 2.357 . 0 0 "[ . 1 . 2]" 1
294 1 79 TYR HB2 1 95 CYS HA 4.810 . 4.810 2.969 2.736 3.523 . 0 0 "[ . 1 . 2]" 1
295 1 79 TYR HB3 1 95 CYS HA 5.160 . 5.160 2.923 2.471 3.431 . 0 0 "[ . 1 . 2]" 1
296 1 112 GLU HA 1 113 ASN HB2 4.620 . 4.620 4.021 3.935 4.076 . 0 0 "[ . 1 . 2]" 1
297 1 114 PHE HB2 1 118 ASP HB2 4.610 . 4.610 4.197 4.089 4.377 . 0 0 "[ . 1 . 2]" 1
298 1 107 THR MG 1 114 PHE HB2 4.410 . 4.410 3.824 3.418 4.251 . 0 0 "[ . 1 . 2]" 1
299 1 16 ASN HA 1 16 ASN QD 4.510 . 4.510 3.969 2.045 4.237 . 0 0 "[ . 1 . 2]" 1
300 1 45 MET HA 1 45 MET HG3 4.120 . 4.120 3.711 3.702 3.721 . 0 0 "[ . 1 . 2]" 1
301 1 113 ASN HA 1 114 PHE HB2 5.730 . 5.730 4.615 4.428 4.725 . 0 0 "[ . 1 . 2]" 1
302 1 46 LEU MD1 1 76 GLN HA 5.170 . 5.170 4.522 4.397 4.621 . 0 0 "[ . 1 . 2]" 1
303 1 37 VAL HA 1 45 MET HA 5.570 . 5.570 5.018 4.803 5.359 . 0 0 "[ . 1 . 2]" 1
304 1 38 VAL HA 1 45 MET HA 5.990 . 5.990 5.177 4.958 5.506 . 0 0 "[ . 1 . 2]" 1
305 1 35 GLY HA3 1 45 MET HA 4.580 . 4.580 3.721 3.573 3.878 . 0 0 "[ . 1 . 2]" 1
306 1 45 MET HB2 1 79 TYR HE1 5.100 . 5.100 4.470 4.367 4.547 . 0 0 "[ . 1 . 2]" 1
307 1 45 MET HB2 1 79 TYR HD1 5.470 . 5.470 4.851 4.792 4.927 . 0 0 "[ . 1 . 2]" 1
308 1 45 MET HB3 1 79 TYR HE1 5.710 . 5.710 5.220 5.107 5.365 . 0 0 "[ . 1 . 2]" 1
309 1 45 MET HB3 1 45 MET ME 4.380 . 4.380 3.310 3.271 3.341 . 0 0 "[ . 1 . 2]" 1
310 1 132 THR MG 1 133 GLN HG3 4.840 . 4.840 4.780 4.618 4.862 0.022 18 0 "[ . 1 . 2]" 1
311 1 45 MET HG3 1 46 LEU MD1 6.000 . 6.000 5.685 5.612 5.797 . 0 0 "[ . 1 . 2]" 1
312 1 48 SER HB2 1 50 MET HA 5.530 . 5.530 4.815 3.999 5.236 . 0 0 "[ . 1 . 2]" 1
313 1 46 LEU HB2 1 78 TYR HA 5.040 . 5.040 4.411 4.150 4.697 . 0 0 "[ . 1 . 2]" 1
314 1 46 LEU HB2 1 78 TYR HE2 4.520 . 4.520 3.043 2.881 3.173 . 0 0 "[ . 1 . 2]" 1
315 1 46 LEU HB2 1 78 TYR HD2 4.940 . 4.940 2.766 2.496 2.926 . 0 0 "[ . 1 . 2]" 1
316 1 46 LEU HB3 1 78 TYR HE2 4.700 . 4.700 4.649 4.512 4.704 0.004 8 0 "[ . 1 . 2]" 1
317 1 46 LEU HB3 1 78 TYR HD2 5.020 . 5.020 4.442 4.198 4.576 . 0 0 "[ . 1 . 2]" 1
318 1 46 LEU MD1 1 78 TYR HD2 3.970 . 3.970 2.970 2.806 3.121 . 0 0 "[ . 1 . 2]" 1
319 1 46 LEU MD1 1 78 TYR HE2 3.750 . 3.750 2.929 2.728 3.063 . 0 0 "[ . 1 . 2]" 1
320 1 46 LEU MD1 1 79 TYR HE1 6.000 . 6.000 6.034 6.007 6.090 0.090 10 0 "[ . 1 . 2]" 1
321 1 46 LEU MD1 1 78 TYR HA 4.010 . 4.010 3.253 3.017 3.507 . 0 0 "[ . 1 . 2]" 1
322 1 46 LEU HA 1 46 LEU MD1 3.310 . 3.310 2.286 2.199 2.354 . 0 0 "[ . 1 . 2]" 1
323 1 46 LEU HB2 1 46 LEU MD1 3.420 . 3.420 2.460 2.439 2.483 . 0 0 "[ . 1 . 2]" 1
324 1 46 LEU MD1 1 77 VAL HB 5.780 . 5.780 5.299 5.138 5.391 . 0 0 "[ . 1 . 2]" 1
325 1 46 LEU HB2 1 46 LEU MD2 3.310 . 3.310 2.286 2.264 2.302 . 0 0 "[ . 1 . 2]" 1
326 1 46 LEU HB3 1 46 LEU MD2 3.320 . 3.320 2.339 2.322 2.362 . 0 0 "[ . 1 . 2]" 1
327 1 46 LEU MD2 1 76 GLN HG3 4.700 . 4.700 3.882 3.707 4.097 . 0 0 "[ . 1 . 2]" 1
328 1 46 LEU MD2 1 78 TYR HD2 4.480 . 4.480 3.927 3.656 4.225 . 0 0 "[ . 1 . 2]" 1
329 1 46 LEU MD2 1 78 TYR HE2 3.920 . 3.920 2.589 2.363 2.795 . 0 0 "[ . 1 . 2]" 1
330 1 46 LEU HG 1 78 TYR HE2 5.290 . 5.290 5.032 4.866 5.123 . 0 0 "[ . 1 . 2]" 1
331 1 47 GLY HA2 1 79 TYR HE1 4.060 . 4.060 3.719 3.451 4.041 . 0 0 "[ . 1 . 2]" 1
332 1 45 MET HG3 1 47 GLY HA2 6.000 . 6.000 4.852 4.595 5.170 . 0 0 "[ . 1 . 2]" 1
333 1 46 LEU HB3 1 47 GLY HA2 5.890 . 5.890 5.080 5.035 5.136 . 0 0 "[ . 1 . 2]" 1
334 1 47 GLY HA2 1 77 VAL QG 5.700 . 5.700 4.479 4.112 4.704 . 0 0 "[ . 1 . 2]" 1
335 1 47 GLY HA2 1 50 MET ME 5.430 . 5.430 4.694 4.164 4.952 . 0 0 "[ . 1 . 2]" 1
336 1 46 LEU HG 1 47 GLY HA2 5.140 . 5.140 4.300 4.180 4.411 . 0 0 "[ . 1 . 2]" 1
337 1 46 LEU MD1 1 47 GLY HA2 5.100 . 5.100 4.181 4.123 4.230 . 0 0 "[ . 1 . 2]" 1
338 1 95 CYS HA 1 97 ASN H 5.400 . 5.400 4.367 4.299 4.457 . 0 0 "[ . 1 . 2]" 1
339 1 48 SER HB2 1 50 MET HB3 5.010 . 5.010 3.915 3.203 4.681 . 0 0 "[ . 1 . 2]" 1
340 1 48 SER HB2 1 50 MET ME 4.720 . 4.720 3.535 2.727 4.333 . 0 0 "[ . 1 . 2]" 1
341 1 41 LEU MD2 1 46 LEU HA 4.640 . 4.640 4.502 3.646 4.642 0.002 11 0 "[ . 1 . 2]" 1
342 1 49 ALA HA 1 76 GLN HB2 4.220 . 4.220 3.369 3.254 3.475 . 0 0 "[ . 1 . 2]" 1
343 1 49 ALA HA 1 50 MET ME 4.420 . 4.420 4.311 3.956 4.653 0.233 6 0 "[ . 1 . 2]" 1
344 1 49 ALA MB 1 76 GLN HB2 5.190 . 5.190 4.030 3.925 4.237 . 0 0 "[ . 1 . 2]" 1
345 1 100 ILE HB 1 104 THR MG 5.020 . 5.020 4.790 4.682 4.952 . 0 0 "[ . 1 . 2]" 1
346 1 99 THR HB 1 100 ILE HB 4.910 . 4.910 3.974 3.879 4.066 . 0 0 "[ . 1 . 2]" 1
347 1 97 ASN HA 1 100 ILE HB 5.210 . 5.210 4.260 4.035 4.456 . 0 0 "[ . 1 . 2]" 1
348 1 100 ILE HB 1 123 GLU HA 4.450 . 4.450 3.244 3.035 3.455 . 0 0 "[ . 1 . 2]" 1
349 1 54 ILE HB 1 55 ILE HA 5.460 . 5.460 4.685 4.469 4.784 . 0 0 "[ . 1 . 2]" 1
350 1 99 THR HB 1 126 ILE HB 5.130 . 5.130 4.377 4.216 4.583 . 0 0 "[ . 1 . 2]" 1
351 1 50 MET HA 1 50 MET ME 5.060 . 5.060 4.326 4.113 4.525 . 0 0 "[ . 1 . 2]" 1
352 1 47 GLY HA3 1 50 MET ME 4.310 . 4.310 3.530 3.094 3.809 . 0 0 "[ . 1 . 2]" 1
353 1 50 MET ME 1 76 GLN HA 3.690 . 3.690 3.641 3.404 3.713 0.023 15 0 "[ . 1 . 2]" 1
354 1 50 MET ME 1 79 TYR HD2 5.390 . 5.390 4.999 4.399 5.397 0.007 2 0 "[ . 1 . 2]" 1
355 1 70 MET HG2 1 72 ARG H 5.940 . 5.940 5.642 5.403 5.934 . 0 0 "[ . 1 . 2]" 1
356 1 70 MET HG2 1 73 TYR HD1 6.000 . 6.000 5.544 5.372 5.892 . 0 0 "[ . 1 . 2]" 1
357 1 67 ARG HA 1 70 MET HG2 5.650 . 5.650 5.242 4.870 5.592 . 0 0 "[ . 1 . 2]" 1
358 1 50 MET ME 1 77 VAL QG . . 3.300 2.150 1.970 2.488 . 0 0 "[ . 1 . 2]" 1
359 1 65 TYR HA 1 68 GLU HB2 3.790 . 3.790 3.165 2.923 3.372 . 0 0 "[ . 1 . 2]" 1
360 1 144 ARG HA 1 144 ARG HD3 4.220 . 4.220 3.015 2.095 3.826 . 0 0 "[ . 1 . 2]" 1
361 1 67 ARG HA 1 67 ARG HD2 3.900 . 3.900 2.967 2.375 3.907 0.007 16 0 "[ . 1 . 2]" 1
362 1 69 ASN HA 1 72 ARG HD2 4.320 . 4.320 3.363 3.190 4.062 . 0 0 "[ . 1 . 2]" 1
363 1 133 GLN HA 1 136 ARG QD . . 4.160 3.681 3.251 4.319 0.159 16 0 "[ . 1 . 2]" 1
364 1 67 ARG HD2 1 70 MET ME 3.650 . 3.650 2.794 2.247 3.661 0.011 16 0 "[ . 1 . 2]" 1
365 1 72 ARG HB3 1 72 ARG HD2 3.880 . 3.880 2.338 2.004 2.435 . 0 0 "[ . 1 . 2]" 1
366 1 54 ILE HA 1 67 ARG HD3 5.400 . 5.400 4.976 4.488 5.407 0.007 10 0 "[ . 1 . 2]" 1
367 1 67 ARG HA 1 67 ARG HD3 4.370 . 4.370 4.059 3.579 4.403 0.033 12 0 "[ . 1 . 2]" 1
368 1 72 ARG HD2 1 114 PHE HZ 5.080 . 5.080 4.576 4.317 5.081 0.001 19 0 "[ . 1 . 2]" 1
369 1 72 ARG HD2 1 73 TYR HD1 4.910 . 4.910 4.396 4.207 4.843 . 0 0 "[ . 1 . 2]" 1
370 1 72 ARG HD2 1 73 TYR HE1 5.370 . 5.370 4.551 4.171 5.200 . 0 0 "[ . 1 . 2]" 1
371 1 72 ARG HD3 1 73 TYR HE1 5.190 . 5.190 3.497 3.230 3.672 . 0 0 "[ . 1 . 2]" 1
372 1 66 TYR HD2 1 67 ARG HD3 5.430 . 5.430 4.554 4.132 5.343 . 0 0 "[ . 1 . 2]" 1
373 1 64 ARG HA 1 67 ARG HG3 3.990 . 3.990 2.960 2.328 3.492 . 0 0 "[ . 1 . 2]" 1
374 1 67 ARG HA 1 67 ARG HG2 3.530 . 3.530 2.395 2.136 2.678 . 0 0 "[ . 1 . 2]" 1
375 1 142 TYR HB3 1 143 GLN HB3 5.210 . 5.210 4.870 4.728 5.023 . 0 0 "[ . 1 . 2]" 1
376 1 115 THR MG 1 116 GLU HB3 4.350 . 4.350 3.996 3.836 4.137 . 0 0 "[ . 1 . 2]" 1
377 1 100 ILE MG 1 123 GLU HB3 3.950 . 3.950 3.522 3.290 4.070 0.120 16 0 "[ . 1 . 2]" 1
378 1 53 PRO HA 1 54 ILE HG12 4.580 . 4.580 3.502 3.374 3.652 . 0 0 "[ . 1 . 2]" 1
379 1 53 PRO HA 1 66 TYR HE2 6.000 . 6.000 5.620 5.291 5.877 . 0 0 "[ . 1 . 2]" 1
380 1 54 ILE HA 1 66 TYR HE2 3.680 . 3.680 2.467 2.119 2.796 . 0 0 "[ . 1 . 2]" 1
381 1 54 ILE HA 1 66 TYR HD2 4.310 . 4.310 3.914 3.669 4.215 . 0 0 "[ . 1 . 2]" 1
382 1 54 ILE HA 1 54 ILE HG12 3.890 . 3.890 3.371 3.309 3.489 . 0 0 "[ . 1 . 2]" 1
383 1 53 PRO HA 1 54 ILE MD 4.390 . 4.390 3.694 3.411 3.932 . 0 0 "[ . 1 . 2]" 1
384 1 54 ILE HA 1 54 ILE MD 3.290 . 3.290 2.359 2.249 2.526 . 0 0 "[ . 1 . 2]" 1
385 1 54 ILE MD 1 67 ARG HA 4.260 . 4.260 3.534 3.080 3.950 . 0 0 "[ . 1 . 2]" 1
386 1 54 ILE MD 1 67 ARG HD2 4.060 . 4.060 2.668 2.284 3.294 . 0 0 "[ . 1 . 2]" 1
387 1 54 ILE MD 1 66 TYR HE2 3.680 . 3.680 2.078 2.031 2.180 . 0 0 "[ . 1 . 2]" 1
388 1 54 ILE MD 1 66 TYR HD2 4.280 . 4.280 3.276 2.811 3.564 . 0 0 "[ . 1 . 2]" 1
389 1 54 ILE HB 1 66 TYR HE2 5.650 . 5.650 5.004 4.669 5.295 . 0 0 "[ . 1 . 2]" 1
390 1 73 TYR HD2 1 74 PRO HG2 4.560 . 4.560 4.408 4.147 4.654 0.094 2 0 "[ . 1 . 2]" 1
391 1 144 ARG HA 1 144 ARG HG3 4.400 . 4.400 3.778 3.713 3.838 . 0 0 "[ . 1 . 2]" 1
392 1 144 ARG HA 1 144 ARG HG2 3.610 . 3.610 3.049 2.857 3.286 . 0 0 "[ . 1 . 2]" 1
393 1 136 ARG HA 1 136 ARG HG2 3.960 . 3.960 2.910 2.504 3.210 . 0 0 "[ . 1 . 2]" 1
394 1 136 ARG HA 1 136 ARG HG3 4.210 . 4.210 2.710 2.442 3.426 . 0 0 "[ . 1 . 2]" 1
395 1 133 GLN HA 1 136 ARG HG2 5.770 . 5.770 4.930 4.286 5.563 . 0 0 "[ . 1 . 2]" 1
396 1 133 GLN HA 1 136 ARG HG3 5.990 . 5.990 5.192 4.079 5.710 . 0 0 "[ . 1 . 2]" 1
397 1 54 ILE HG12 1 54 ILE MG 3.730 . 3.730 3.242 3.211 3.258 . 0 0 "[ . 1 . 2]" 1
398 1 72 ARG HG2 1 73 TYR HB2 4.580 . 4.580 4.461 4.361 4.598 0.018 19 0 "[ . 1 . 2]" 1
399 1 72 ARG HG2 1 114 PHE HZ 4.960 . 4.960 2.902 2.740 3.161 . 0 0 "[ . 1 . 2]" 1
400 1 54 ILE HG13 1 66 TYR HE2 5.120 . 5.120 4.637 4.393 4.862 . 0 0 "[ . 1 . 2]" 1
401 1 72 ARG HG2 1 73 TYR HD1 4.370 . 4.370 2.373 2.175 2.580 . 0 0 "[ . 1 . 2]" 1
402 1 72 ARG HG2 1 73 TYR HE1 4.830 . 4.830 3.438 3.201 3.702 . 0 0 "[ . 1 . 2]" 1
403 1 54 ILE MG 1 66 TYR HD2 4.440 . 4.440 2.912 2.407 3.410 . 0 0 "[ . 1 . 2]" 1
404 1 54 ILE MG 1 66 TYR HE2 3.690 . 3.690 2.980 2.458 3.414 . 0 0 "[ . 1 . 2]" 1
405 1 55 ILE HA 1 57 PHE QE 5.400 . 5.400 4.823 4.723 4.922 . 0 0 "[ . 1 . 2]" 1
406 1 55 ILE HA 1 56 HIS HA 5.110 . 5.110 4.456 4.433 4.493 . 0 0 "[ . 1 . 2]" 1
407 1 54 ILE MG 1 55 ILE HA 4.970 . 4.970 3.955 3.830 4.195 . 0 0 "[ . 1 . 2]" 1
408 1 55 ILE HB 1 57 PHE QE 4.290 . 4.290 2.378 2.209 2.555 . 0 0 "[ . 1 . 2]" 1
409 1 55 ILE HB 1 57 PHE HZ 4.870 . 4.870 2.535 2.312 2.718 . 0 0 "[ . 1 . 2]" 1
410 1 55 ILE HB 1 57 PHE QD 4.880 . 4.880 4.277 4.171 4.388 . 0 0 "[ . 1 . 2]" 1
411 1 55 ILE MD 1 55 ILE MG 3.040 . 3.040 2.156 2.140 2.187 . 0 0 "[ . 1 . 2]" 1
412 1 55 ILE MD 1 128 GLN QG 3.550 . 3.550 2.274 2.158 2.448 . 0 0 "[ . 1 . 2]" 1
413 1 55 ILE MD 1 128 GLN HB3 3.570 . 3.570 3.629 3.274 3.925 0.355 5 0 "[ . 1 . 2]" 1
414 1 53 PRO HG2 1 55 ILE MD 3.560 . 3.560 3.279 2.738 3.652 0.092 8 0 "[ . 1 . 2]" 1
415 1 53 PRO HB2 1 55 ILE MD 3.570 . 3.570 2.622 2.324 2.752 . 0 0 "[ . 1 . 2]" 1
416 1 55 ILE HA 1 55 ILE MD 3.360 . 3.360 2.279 2.237 2.338 . 0 0 "[ . 1 . 2]" 1
417 1 55 ILE MD 1 125 VAL HA 3.470 . 3.470 3.682 3.319 3.841 0.371 8 0 "[ . 1 . 2]" 1
418 1 53 PRO HA 1 55 ILE MD 5.200 . 5.200 4.865 4.538 4.997 . 0 0 "[ . 1 . 2]" 1
419 1 55 ILE HG12 1 55 ILE MG 3.690 . 3.690 3.237 3.229 3.245 . 0 0 "[ . 1 . 2]" 1
420 1 55 ILE HG12 1 128 GLN QG . . 4.230 3.633 3.290 3.935 . 0 0 "[ . 1 . 2]" 1
421 1 55 ILE HA 1 55 ILE HG12 4.070 . 4.070 3.281 3.219 3.409 . 0 0 "[ . 1 . 2]" 1
422 1 53 PRO HA 1 55 ILE HG12 6.000 . 6.000 5.365 5.172 5.750 . 0 0 "[ . 1 . 2]" 1
423 1 54 ILE HA 1 55 ILE HG12 5.170 . 5.170 3.911 3.772 3.991 . 0 0 "[ . 1 . 2]" 1
424 1 55 ILE HG12 1 57 PHE QE 5.060 . 5.060 4.491 4.325 4.640 . 0 0 "[ . 1 . 2]" 1
425 1 55 ILE HG13 1 57 PHE QE 4.480 . 4.480 3.734 3.621 3.924 . 0 0 "[ . 1 . 2]" 1
426 1 55 ILE HA 1 55 ILE HG13 4.440 . 4.440 3.891 3.873 3.917 . 0 0 "[ . 1 . 2]" 1
427 1 55 ILE HG13 1 124 ARG HB2 5.650 . 5.650 5.753 5.606 5.905 0.255 9 0 "[ . 1 . 2]" 1
428 1 55 ILE HG13 1 55 ILE MG 3.450 . 3.450 2.334 2.275 2.379 . 0 0 "[ . 1 . 2]" 1
429 1 55 ILE MG 1 128 GLN HB3 4.420 . 4.420 4.484 4.249 4.664 0.244 1 0 "[ . 1 . 2]" 1
430 1 55 ILE MG 1 124 ARG HB2 4.770 . 4.770 4.882 4.710 5.026 0.256 17 0 "[ . 1 . 2]" 1
431 1 55 ILE MG 1 124 ARG HG3 4.340 . 4.340 3.882 3.714 4.087 . 0 0 "[ . 1 . 2]" 1
432 1 55 ILE MG 1 57 PHE HA 5.220 . 5.220 4.335 4.127 4.501 . 0 0 "[ . 1 . 2]" 1
433 1 55 ILE HA 1 55 ILE MG 3.310 . 3.310 2.352 2.299 2.376 . 0 0 "[ . 1 . 2]" 1
434 1 55 ILE MG 1 124 ARG HD3 4.130 . 4.130 3.500 3.027 3.735 . 0 0 "[ . 1 . 2]" 1
435 1 55 ILE MG 1 125 VAL HA 4.690 . 4.690 4.215 3.955 4.383 . 0 0 "[ . 1 . 2]" 1
436 1 55 ILE MG 1 57 PHE QD 3.950 . 3.950 2.989 2.827 3.329 . 0 0 "[ . 1 . 2]" 1
437 1 55 ILE MG 1 57 PHE QE 3.620 . 3.620 2.285 2.217 2.476 . 0 0 "[ . 1 . 2]" 1
438 1 56 HIS HA 1 57 PHE QE 5.420 . 5.420 4.453 4.058 4.734 . 0 0 "[ . 1 . 2]" 1
439 1 55 ILE MG 1 56 HIS HA 4.720 . 4.720 4.099 4.014 4.179 . 0 0 "[ . 1 . 2]" 1
440 1 142 TYR HA 1 142 TYR HD1 3.310 . 3.310 2.809 2.646 2.990 . 0 0 "[ . 1 . 2]" 1
441 1 57 PHE HA 1 57 PHE QD 3.610 . 3.610 2.737 2.558 2.926 . 0 0 "[ . 1 . 2]" 1
442 1 46 LEU HA 1 78 TYR HB2 5.160 . 5.160 4.788 4.728 4.897 . 0 0 "[ . 1 . 2]" 1
443 1 114 PHE HD2 1 118 ASP HB3 4.350 . 4.350 2.855 2.523 2.985 . 0 0 "[ . 1 . 2]" 1
444 1 65 TYR HE2 1 118 ASP HB3 4.540 . 4.540 4.212 3.928 4.421 . 0 0 "[ . 1 . 2]" 1
445 1 73 TYR HE2 1 118 ASP HB3 5.370 . 5.370 4.589 4.270 4.798 . 0 0 "[ . 1 . 2]" 1
446 1 114 PHE HB3 1 118 ASP HB3 5.200 . 5.200 3.763 3.597 3.921 . 0 0 "[ . 1 . 2]" 1
447 1 61 TYR HA 1 61 TYR QD 3.710 . 3.710 2.901 2.820 3.022 . 0 0 "[ . 1 . 2]" 1
448 1 61 TYR HA 1 64 ARG HG3 4.700 . 4.700 2.858 2.609 3.182 . 0 0 "[ . 1 . 2]" 1
449 1 61 TYR HB3 1 62 GLU QG 5.220 . 5.220 4.400 4.060 4.813 . 0 0 "[ . 1 . 2]" 1
450 1 61 TYR HB3 1 62 GLU QB 4.850 . 4.850 4.051 3.956 4.167 . 0 0 "[ . 1 . 2]" 1
451 1 61 TYR HB3 1 62 GLU HA 5.170 . 5.170 4.461 4.306 4.544 . 0 0 "[ . 1 . 2]" 1
452 1 65 TYR HB3 1 121 MET ME 4.370 . 4.370 3.501 3.330 3.643 . 0 0 "[ . 1 . 2]" 1
453 1 62 GLU QG 1 65 TYR HB3 4.260 . 4.260 3.774 3.685 3.886 . 0 0 "[ . 1 . 2]" 1
454 1 61 TYR HB2 1 62 GLU HA 6.000 . 6.000 5.610 5.562 5.643 . 0 0 "[ . 1 . 2]" 1
455 1 122 MET HA 1 126 ILE MD 5.070 . 5.070 5.041 4.925 5.197 0.127 14 0 "[ . 1 . 2]" 1
456 1 122 MET HA 1 122 MET HG2 4.200 . 4.200 3.869 3.830 3.920 . 0 0 "[ . 1 . 2]" 1
457 1 62 GLU HA 1 62 GLU QG 3.810 . 3.810 2.187 2.113 2.225 . 0 0 "[ . 1 . 2]" 1
458 1 122 MET HA 1 122 MET HG3 4.500 . 4.500 3.684 3.617 3.732 . 0 0 "[ . 1 . 2]" 1
459 1 62 GLU HA 1 65 TYR HB3 4.430 . 4.430 2.308 2.237 2.422 . 0 0 "[ . 1 . 2]" 1
460 1 61 TYR QE 1 62 GLU HA 4.580 . 4.580 4.038 3.827 4.226 . 0 0 "[ . 1 . 2]" 1
461 1 62 GLU HA 1 65 TYR HD2 3.940 . 3.940 3.076 2.935 3.283 . 0 0 "[ . 1 . 2]" 1
462 1 61 TYR QD 1 62 GLU HA 4.350 . 4.350 3.167 2.791 3.359 . 0 0 "[ . 1 . 2]" 1
463 1 66 TYR HE1 1 122 MET HA 4.900 . 4.900 3.689 3.186 3.988 . 0 0 "[ . 1 . 2]" 1
464 1 59 SER H 1 62 GLU HA 5.540 . 5.540 5.020 4.891 5.297 . 0 0 "[ . 1 . 2]" 1
465 1 57 PHE QD 1 124 ARG HB2 4.980 . 4.980 4.374 4.078 4.505 . 0 0 "[ . 1 . 2]" 1
466 1 57 PHE QE 1 124 ARG HB2 4.290 . 4.290 3.306 3.166 3.427 . 0 0 "[ . 1 . 2]" 1
467 1 62 GLU QB 1 65 TYR HB3 5.010 . 5.010 4.282 4.164 4.381 . 0 0 "[ . 1 . 2]" 1
468 1 62 GLU QB 1 65 TYR HD2 4.920 . 4.920 4.398 4.183 4.592 . 0 0 "[ . 1 . 2]" 1
469 1 57 PHE QD 1 62 GLU QB 5.040 . 5.040 3.111 2.840 3.306 . 0 0 "[ . 1 . 2]" 1
470 1 64 ARG HA 1 64 ARG HG3 4.190 . 4.190 3.649 3.621 3.676 . 0 0 "[ . 1 . 2]" 1
471 1 61 TYR QD 1 62 GLU QG . . 3.980 2.787 2.591 3.015 . 0 0 "[ . 1 . 2]" 1
472 1 62 GLU QG 1 65 TYR HD2 4.670 . 4.670 3.066 2.944 3.133 . 0 0 "[ . 1 . 2]" 1
473 1 57 PHE QD 1 62 GLU QG 5.050 . 5.050 4.094 3.934 4.512 . 0 0 "[ . 1 . 2]" 1
474 1 64 ARG HG3 1 65 TYR HB3 4.800 . 4.800 4.251 4.108 4.333 . 0 0 "[ . 1 . 2]" 1
475 1 64 ARG HG3 1 68 GLU HG3 4.980 . 4.980 5.159 4.623 5.280 0.300 14 0 "[ . 1 . 2]" 1
476 1 65 TYR HA 1 65 TYR HD1 3.640 . 3.640 2.501 2.380 2.839 . 0 0 "[ . 1 . 2]" 1
477 1 64 ARG HA 1 65 TYR HA 5.400 . 5.400 4.838 4.806 4.861 . 0 0 "[ . 1 . 2]" 1
478 1 62 GLU HA 1 65 TYR HB2 5.190 . 5.190 3.389 3.304 3.556 . 0 0 "[ . 1 . 2]" 1
479 1 66 TYR HA 1 69 ASN H 4.450 . 4.450 3.542 3.431 3.744 . 0 0 "[ . 1 . 2]" 1
480 1 57 PHE QE 1 66 TYR HB3 4.620 . 4.620 4.226 3.337 4.372 . 0 0 "[ . 1 . 2]" 1
481 1 66 TYR HB3 1 66 TYR HE2 5.240 . 5.240 4.708 4.674 4.727 . 0 0 "[ . 1 . 2]" 1
482 1 65 TYR HB3 1 66 TYR HB3 4.990 . 4.990 4.522 4.363 4.871 . 0 0 "[ . 1 . 2]" 1
483 1 66 TYR HD2 1 67 ARG HA 4.870 . 4.870 3.440 3.181 3.717 . 0 0 "[ . 1 . 2]" 1
484 1 67 ARG HA 1 67 ARG HG3 4.230 . 4.230 3.550 3.062 3.767 . 0 0 "[ . 1 . 2]" 1
485 1 57 PHE QE 1 124 ARG HB3 4.370 . 4.370 2.079 2.003 2.201 . 0 0 "[ . 1 . 2]" 1
486 1 67 ARG HB3 1 67 ARG HD2 3.770 . 3.770 2.515 2.128 2.877 . 0 0 "[ . 1 . 2]" 1
487 1 64 ARG HA 1 67 ARG HB3 4.040 . 4.040 3.736 3.184 4.043 0.003 17 0 "[ . 1 . 2]" 1
488 1 54 ILE MD 1 67 ARG HD3 4.450 . 4.450 2.482 2.179 2.847 . 0 0 "[ . 1 . 2]" 1
489 1 54 ILE MG 1 67 ARG HD3 4.620 . 4.620 2.434 2.155 3.262 . 0 0 "[ . 1 . 2]" 1
490 1 54 ILE HG13 1 67 ARG HD3 5.020 . 5.020 2.714 2.391 2.995 . 0 0 "[ . 1 . 2]" 1
491 1 54 ILE HG12 1 67 ARG HD3 4.560 . 4.560 4.273 3.993 4.564 0.004 3 0 "[ . 1 . 2]" 1
492 1 66 TYR HD2 1 67 ARG HG2 4.870 . 4.870 2.701 2.490 3.111 . 0 0 "[ . 1 . 2]" 1
493 1 100 ILE MG 1 123 GLU HB2 3.790 . 3.790 2.752 2.527 2.957 . 0 0 "[ . 1 . 2]" 1
494 1 54 ILE MG 1 67 ARG HG2 4.310 . 4.310 2.793 2.269 3.309 . 0 0 "[ . 1 . 2]" 1
495 1 54 ILE MD 1 67 ARG HG2 3.890 . 3.890 2.646 2.200 3.345 . 0 0 "[ . 1 . 2]" 1
496 1 54 ILE MD 1 67 ARG HG3 4.370 . 4.370 3.797 3.195 4.264 . 0 0 "[ . 1 . 2]" 1
497 1 66 TYR HE2 1 67 ARG HG3 5.830 . 5.830 5.228 3.635 5.573 . 0 0 "[ . 1 . 2]" 1
498 1 68 GLU HA 1 68 GLU HG3 3.970 . 3.970 2.952 2.787 3.197 . 0 0 "[ . 1 . 2]" 1
499 1 68 GLU HA 1 68 GLU HG2 3.230 . 3.230 2.624 2.458 2.768 . 0 0 "[ . 1 . 2]" 1
500 1 65 TYR HD1 1 68 GLU HB2 4.720 . 4.720 4.262 4.058 4.511 . 0 0 "[ . 1 . 2]" 1
501 1 65 TYR HA 1 68 GLU HG3 4.480 . 4.480 4.196 3.916 4.378 . 0 0 "[ . 1 . 2]" 1
502 1 116 GLU HA 1 116 GLU HG3 3.280 . 3.280 2.568 2.513 2.701 . 0 0 "[ . 1 . 2]" 1
503 1 116 GLU HG3 1 119 VAL MG2 4.340 . 4.340 3.434 3.315 3.652 . 0 0 "[ . 1 . 2]" 1
504 1 69 ASN HB3 1 72 ARG HG2 4.720 . 4.720 3.208 3.095 3.458 . 0 0 "[ . 1 . 2]" 1
505 1 70 MET HA 1 73 TYR HE1 4.630 . 4.630 4.075 3.937 4.306 . 0 0 "[ . 1 . 2]" 1
506 1 70 MET HA 1 73 TYR HA 5.190 . 5.190 4.814 4.656 4.964 . 0 0 "[ . 1 . 2]" 1
507 1 70 MET HA 1 73 TYR HD1 4.010 . 4.010 2.325 2.159 2.572 . 0 0 "[ . 1 . 2]" 1
508 1 66 TYR HE1 1 70 MET HA 4.660 . 4.660 4.235 3.964 4.661 0.001 17 0 "[ . 1 . 2]" 1
509 1 66 TYR HD1 1 70 MET HA 5.580 . 5.580 4.483 4.164 4.953 . 0 0 "[ . 1 . 2]" 1
510 1 70 MET HA 1 73 TYR HB2 4.140 . 4.140 2.336 2.152 2.530 . 0 0 "[ . 1 . 2]" 1
511 1 70 MET HA 1 70 MET HG3 4.290 . 4.290 2.429 2.366 2.529 . 0 0 "[ . 1 . 2]" 1
512 1 70 MET HA 1 70 MET ME 4.740 . 4.740 4.376 4.333 4.432 . 0 0 "[ . 1 . 2]" 1
513 1 70 MET HB2 1 73 TYR HD1 5.040 . 5.040 4.612 4.401 4.910 . 0 0 "[ . 1 . 2]" 1
514 1 66 TYR HE2 1 70 MET HB2 5.670 . 5.670 4.543 4.204 5.109 . 0 0 "[ . 1 . 2]" 1
515 1 66 TYR HE1 1 70 MET HB2 5.960 . 5.960 4.545 3.843 5.060 . 0 0 "[ . 1 . 2]" 1
516 1 45 MET ME 1 46 LEU MD1 5.570 . 5.570 5.358 5.301 5.438 . 0 0 "[ . 1 . 2]" 1
517 1 70 MET HG3 1 73 TYR HD1 5.190 . 5.190 4.460 4.280 4.793 . 0 0 "[ . 1 . 2]" 1
518 1 66 TYR HE1 1 70 MET HG3 5.360 . 5.360 3.986 3.756 4.367 . 0 0 "[ . 1 . 2]" 1
519 1 70 MET HG3 1 72 ARG H 5.690 . 5.690 5.469 5.367 5.564 . 0 0 "[ . 1 . 2]" 1
520 1 70 MET HG3 1 73 TYR HB2 4.490 . 4.490 2.729 2.565 2.880 . 0 0 "[ . 1 . 2]" 1
521 1 57 PHE QE 1 124 ARG HA 5.280 . 5.280 4.684 4.653 4.738 . 0 0 "[ . 1 . 2]" 1
522 1 72 ARG HA 1 73 TYR HD1 5.900 . 5.900 5.094 4.879 5.316 . 0 0 "[ . 1 . 2]" 1
523 1 55 ILE MG 1 124 ARG HB3 4.640 . 4.640 3.592 3.360 3.777 . 0 0 "[ . 1 . 2]" 1
524 1 72 ARG HB3 1 72 ARG HD3 4.260 . 4.260 3.557 3.133 3.608 . 0 0 "[ . 1 . 2]" 1
525 1 72 ARG HB3 1 73 TYR HD1 5.570 . 5.570 4.828 4.636 5.027 . 0 0 "[ . 1 . 2]" 1
526 1 72 ARG HB2 1 114 PHE HZ 4.900 . 4.900 4.621 4.405 4.830 . 0 0 "[ . 1 . 2]" 1
527 1 72 ARG HB2 1 73 TYR H 5.020 . 5.020 4.459 4.393 4.511 . 0 0 "[ . 1 . 2]" 1
528 1 72 ARG HB2 1 73 TYR HD1 6.000 . 6.000 5.155 4.874 5.385 . 0 0 "[ . 1 . 2]" 1
529 1 72 ARG HB2 1 72 ARG HD2 4.400 . 4.400 3.438 3.099 3.548 . 0 0 "[ . 1 . 2]" 1
530 1 72 ARG HD3 1 73 TYR HD1 4.560 . 4.560 4.034 3.627 4.211 . 0 0 "[ . 1 . 2]" 1
531 1 72 ARG HD3 1 114 PHE HZ 4.870 . 4.870 3.288 2.874 4.406 . 0 0 "[ . 1 . 2]" 1
532 1 72 ARG HG3 1 114 PHE HZ 5.080 . 5.080 2.414 2.229 2.599 . 0 0 "[ . 1 . 2]" 1
533 1 72 ARG HA 1 72 ARG HD2 5.130 . 5.130 4.674 4.342 4.740 . 0 0 "[ . 1 . 2]" 1
534 1 73 TYR HA 1 73 TYR HD1 4.500 . 4.500 3.422 3.267 3.628 . 0 0 "[ . 1 . 2]" 1
535 1 73 TYR HA 1 73 TYR HD2 4.750 . 4.750 3.491 3.267 3.604 . 0 0 "[ . 1 . 2]" 1
536 1 73 TYR HA 1 114 PHE HZ 5.030 . 5.030 3.630 3.190 3.980 . 0 0 "[ . 1 . 2]" 1
537 1 73 TYR HA 1 74 PRO HD3 4.110 . 4.110 2.570 2.528 2.673 . 0 0 "[ . 1 . 2]" 1
538 1 73 TYR HA 1 74 PRO HG2 5.170 . 5.170 4.651 4.594 4.690 . 0 0 "[ . 1 . 2]" 1
539 1 73 TYR HA 1 122 MET ME 4.570 . 4.570 3.718 3.538 4.027 . 0 0 "[ . 1 . 2]" 1
540 1 70 MET HB2 1 73 TYR HB2 4.490 . 4.490 4.383 4.176 4.588 0.098 8 0 "[ . 1 . 2]" 1
541 1 73 TYR HB3 1 74 PRO HG2 4.740 . 4.740 3.968 3.826 4.076 . 0 0 "[ . 1 . 2]" 1
542 1 70 MET ME 1 73 TYR HB2 5.960 . 5.960 5.596 5.493 5.716 . 0 0 "[ . 1 . 2]" 1
543 1 73 TYR HB3 1 74 PRO HB3 6.000 . 6.000 5.556 5.505 5.636 . 0 0 "[ . 1 . 2]" 1
544 1 73 TYR HB2 1 73 TYR HE1 5.550 . 5.550 4.886 4.842 4.918 . 0 0 "[ . 1 . 2]" 1
545 1 74 PRO HD2 1 122 MET ME 4.720 . 4.720 3.096 2.772 3.763 . 0 0 "[ . 1 . 2]" 1
546 1 74 PRO HD3 1 122 MET ME 5.060 . 5.060 3.012 2.808 3.415 . 0 0 "[ . 1 . 2]" 1
547 1 73 TYR HE2 1 74 PRO HD2 5.260 . 5.260 4.773 4.548 4.962 . 0 0 "[ . 1 . 2]" 1
548 1 49 ALA HA 1 76 GLN HB3 3.480 . 3.480 2.210 2.074 2.280 . 0 0 "[ . 1 . 2]" 1
549 1 46 LEU MD1 1 76 GLN HG2 4.520 . 4.520 3.671 3.619 3.728 . 0 0 "[ . 1 . 2]" 1
550 1 46 LEU MD1 1 76 GLN HB3 4.490 . 4.490 3.987 3.814 4.117 . 0 0 "[ . 1 . 2]" 1
551 1 46 LEU MD1 1 76 GLN HB2 4.090 . 4.090 2.721 2.496 2.871 . 0 0 "[ . 1 . 2]" 1
552 1 46 LEU MD2 1 76 GLN HB2 5.150 . 5.150 4.608 4.432 4.725 . 0 0 "[ . 1 . 2]" 1
553 1 76 GLN HB2 1 77 VAL QG 4.990 . 4.990 3.898 3.765 3.966 . 0 0 "[ . 1 . 2]" 1
554 1 76 GLN HA 1 76 GLN HG3 4.460 . 4.460 3.831 3.802 3.866 . 0 0 "[ . 1 . 2]" 1
555 1 49 ALA MB 1 76 GLN HB3 3.760 . 3.760 2.594 2.482 2.803 . 0 0 "[ . 1 . 2]" 1
556 1 49 ALA MB 1 76 GLN HG2 4.300 . 4.300 4.106 4.093 4.120 . 0 0 "[ . 1 . 2]" 1
557 1 77 VAL HA 1 99 THR MG 4.090 . 4.090 2.391 2.130 2.606 . 0 0 "[ . 1 . 2]" 1
558 1 76 GLN H 1 77 VAL HA 5.940 . 5.940 4.906 4.661 5.197 . 0 0 "[ . 1 . 2]" 1
559 1 77 VAL HA 1 78 TYR HD1 4.770 . 4.770 2.833 2.728 3.010 . 0 0 "[ . 1 . 2]" 1
560 1 77 VAL HA 1 78 TYR HE1 4.710 . 4.710 3.818 3.754 3.888 . 0 0 "[ . 1 . 2]" 1
561 1 77 VAL HB 1 78 TYR HE1 6.000 . 6.000 6.019 6.006 6.031 0.031 1 0 "[ . 1 . 2]" 1
562 1 139 GLN HB2 1 139 GLN HG3 2.970 . 2.970 2.435 2.379 2.530 . 0 0 "[ . 1 . 2]" 1
563 1 77 VAL HB 1 99 THR MG 4.470 . 4.470 2.880 2.500 3.205 . 0 0 "[ . 1 . 2]" 1
564 1 77 VAL QG 1 129 MET ME 3.890 . 3.890 2.514 1.972 3.346 . 0 0 "[ . 1 . 2]" 1
565 1 77 VAL QG 1 99 THR MG 3.830 . 3.830 2.271 2.159 2.501 . 0 0 "[ . 1 . 2]" 1
566 1 77 VAL QG 1 126 ILE MG 3.960 . 3.960 2.092 2.001 2.203 . 0 0 "[ . 1 . 2]" 1
567 1 77 VAL QG 1 78 TYR HD1 5.250 . 5.250 4.242 4.180 4.346 . 0 0 "[ . 1 . 2]" 1
568 1 77 VAL QG 1 78 TYR HE1 5.780 . 5.780 5.064 4.982 5.136 . 0 0 "[ . 1 . 2]" 1
569 1 47 GLY H 1 77 VAL QG 6.000 . 6.000 3.412 3.213 3.509 . 0 0 "[ . 1 . 2]" 1
570 1 77 VAL QG 1 79 TYR HE2 4.300 . 4.300 2.373 2.244 2.551 . 0 0 "[ . 1 . 2]" 1
571 1 76 GLN HA 1 77 VAL QG 4.500 . 4.500 2.976 2.892 3.057 . 0 0 "[ . 1 . 2]" 1
572 1 47 GLY HA3 1 77 VAL QG 4.420 . 4.420 3.056 2.688 3.294 . 0 0 "[ . 1 . 2]" 1
573 1 41 LEU MD2 1 78 TYR HA 4.810 . 4.810 4.447 3.740 4.753 . 0 0 "[ . 1 . 2]" 1
574 1 46 LEU HB3 1 78 TYR HA 5.780 . 5.780 5.331 5.165 5.544 . 0 0 "[ . 1 . 2]" 1
575 1 78 TYR HA 1 98 ILE HB 5.810 . 5.810 5.300 5.158 5.657 . 0 0 "[ . 1 . 2]" 1
576 1 77 VAL HB 1 78 TYR HA 5.240 . 5.240 4.539 4.462 4.601 . 0 0 "[ . 1 . 2]" 1
577 1 78 TYR HA 1 79 TYR HB3 5.320 . 5.320 4.812 4.776 4.864 . 0 0 "[ . 1 . 2]" 1
578 1 46 LEU HA 1 78 TYR HA 3.980 . 3.980 2.311 2.179 2.522 . 0 0 "[ . 1 . 2]" 1
579 1 118 ASP HB3 1 119 VAL MG1 4.950 . 4.950 4.090 3.993 4.179 . 0 0 "[ . 1 . 2]" 1
580 1 118 ASP HB3 1 122 MET ME 4.670 . 4.670 4.365 4.170 4.561 . 0 0 "[ . 1 . 2]" 1
581 1 41 LEU HG 1 78 TYR HB3 4.980 . 4.980 3.207 2.992 3.460 . 0 0 "[ . 1 . 2]" 1
582 1 78 TYR HB3 1 98 ILE MG 4.680 . 4.680 2.692 2.555 2.843 . 0 0 "[ . 1 . 2]" 1
583 1 78 TYR HB2 1 98 ILE MG 4.700 . 4.700 2.240 2.159 2.323 . 0 0 "[ . 1 . 2]" 1
584 1 41 LEU HG 1 78 TYR HB2 5.650 . 5.650 4.000 3.858 4.254 . 0 0 "[ . 1 . 2]" 1
585 1 78 TYR HB2 1 98 ILE HB 5.900 . 5.900 3.611 3.349 3.971 . 0 0 "[ . 1 . 2]" 1
586 1 44 TYR HD2 1 78 TYR HB2 5.140 . 5.140 5.392 5.204 5.413 0.273 2 0 "[ . 1 . 2]" 1
587 1 44 TYR HB2 1 98 ILE HG13 4.550 . 4.550 4.287 3.996 4.693 0.143 14 0 "[ . 1 . 2]" 1
588 1 128 GLN HE21 1 129 MET QG 4.530 . 4.530 3.611 2.830 4.185 . 0 0 "[ . 1 . 2]" 1
589 1 45 MET HG3 1 79 TYR HB2 5.960 . 5.960 5.300 5.202 5.360 . 0 0 "[ . 1 . 2]" 1
590 1 82 MET ME 1 138 SER HA 3.660 . 3.660 2.981 2.370 3.348 . 0 0 "[ . 1 . 2]" 1
591 1 82 MET ME 1 133 GLN QE 3.940 . 3.940 2.896 2.032 3.487 . 0 0 "[ . 1 . 2]" 1
592 1 82 MET ME 1 91 PHE HZ 5.220 . 5.220 3.915 2.928 4.686 . 0 0 "[ . 1 . 2]" 1
593 1 38 VAL HB 1 78 TYR HE2 4.470 . 4.470 3.717 3.406 4.188 . 0 0 "[ . 1 . 2]" 1
594 1 143 GLN HA 1 143 GLN HG3 3.160 . 3.160 2.554 2.468 2.635 . 0 0 "[ . 1 . 2]" 1
595 1 142 TYR HD2 1 143 GLN HA 4.350 . 4.350 3.563 3.393 3.788 . 0 0 "[ . 1 . 2]" 1
596 1 101 LYS HB2 1 101 LYS HD2 3.350 . 3.350 2.323 2.085 2.742 . 0 0 "[ . 1 . 2]" 1
597 1 97 ASN HA 1 100 ILE H 5.120 . 5.120 3.481 3.289 3.684 . 0 0 "[ . 1 . 2]" 1
598 1 97 ASN HA 1 99 THR H 5.410 . 5.410 4.375 4.209 4.572 . 0 0 "[ . 1 . 2]" 1
599 1 89 ASN HB2 1 90 ASN H 5.290 . 5.290 4.260 4.062 4.429 . 0 0 "[ . 1 . 2]" 1
600 1 89 ASN HB2 1 92 VAL MG1 4.660 . 4.660 4.057 3.737 4.425 . 0 0 "[ . 1 . 2]" 1
601 1 89 ASN HB3 1 92 VAL MG1 5.020 . 5.020 4.774 4.313 5.029 0.009 19 0 "[ . 1 . 2]" 1
602 1 140 ALA MB 1 142 TYR HB3 6.000 . 6.000 5.542 5.430 5.661 . 0 0 "[ . 1 . 2]" 1
603 1 139 GLN HB2 1 142 TYR HB3 5.190 . 5.190 4.877 4.737 4.927 . 0 0 "[ . 1 . 2]" 1
604 1 139 GLN HG2 1 142 TYR HB3 4.830 . 4.830 4.307 4.052 4.647 . 0 0 "[ . 1 . 2]" 1
605 1 139 GLN HA 1 142 TYR HB3 4.180 . 4.180 2.371 2.233 2.444 . 0 0 "[ . 1 . 2]" 1
606 1 138 SER HA 1 142 TYR HB3 5.730 . 5.730 5.231 5.016 5.361 . 0 0 "[ . 1 . 2]" 1
607 1 141 TYR HD1 1 142 TYR HB3 4.910 . 4.910 4.655 4.457 4.756 . 0 0 "[ . 1 . 2]" 1
608 1 92 VAL HA 1 95 CYS HB3 5.020 . 5.020 2.374 2.299 2.507 . 0 0 "[ . 1 . 2]" 1
609 1 82 MET HB3 1 91 PHE QE 5.470 . 5.470 3.479 3.082 4.921 . 0 0 "[ . 1 . 2]" 1
610 1 91 PHE QE 1 92 VAL HB 5.100 . 5.100 3.433 3.028 4.252 . 0 0 "[ . 1 . 2]" 1
611 1 92 VAL MG1 1 134 TYR HB2 4.960 . 4.960 3.523 3.317 3.733 . 0 0 "[ . 1 . 2]" 1
612 1 92 VAL MG1 1 134 TYR HB3 6.000 . 6.000 4.210 3.862 4.564 . 0 0 "[ . 1 . 2]" 1
613 1 92 VAL MG1 1 134 TYR QD 4.990 . 4.990 3.288 2.844 3.733 . 0 0 "[ . 1 . 2]" 1
614 1 92 VAL MG1 1 134 TYR QE 5.070 . 5.070 3.712 3.112 4.414 . 0 0 "[ . 1 . 2]" 1
615 1 92 VAL MG1 1 93 HIS HD2 4.240 . 4.240 4.554 3.848 4.752 0.512 8 1 "[ . + 1 . 2]" 1
616 1 92 VAL MG1 1 93 HIS HA 3.840 . 3.840 3.445 3.316 3.581 . 0 0 "[ . 1 . 2]" 1
617 1 92 VAL MG2 1 93 HIS HA 4.670 . 4.670 4.019 3.872 4.200 . 0 0 "[ . 1 . 2]" 1
618 1 92 VAL MG1 1 93 HIS HB2 4.570 . 4.570 3.217 3.110 3.340 . 0 0 "[ . 1 . 2]" 1
619 1 92 VAL MG1 1 93 HIS HB3 5.230 . 5.230 4.388 4.239 4.495 . 0 0 "[ . 1 . 2]" 1
620 1 93 HIS HB3 1 94 ASP HA 4.700 . 4.700 4.166 4.087 4.255 . 0 0 "[ . 1 . 2]" 1
621 1 90 ASN HA 1 93 HIS HB2 3.860 . 3.860 3.742 3.267 3.871 0.011 3 0 "[ . 1 . 2]" 1
622 1 92 VAL HA 1 95 CYS HA 5.590 . 5.590 4.979 4.819 5.135 . 0 0 "[ . 1 . 2]" 1
623 1 79 TYR HA 1 95 CYS HB3 5.320 . 5.320 5.480 5.294 5.772 0.452 13 0 "[ . 1 . 2]" 1
624 1 100 ILE HA 1 100 ILE HG13 4.500 . 4.500 2.969 2.862 3.048 . 0 0 "[ . 1 . 2]" 1
625 1 100 ILE HA 1 103 HIS HB2 4.630 . 4.630 2.159 2.013 2.329 . 0 0 "[ . 1 . 2]" 1
626 1 100 ILE HA 1 103 HIS HB3 4.310 . 4.310 3.631 3.342 3.966 . 0 0 "[ . 1 . 2]" 1
627 1 99 THR HB 1 100 ILE HA 4.510 . 4.510 4.231 4.173 4.325 . 0 0 "[ . 1 . 2]" 1
628 1 96 VAL QG 1 97 ASN HA 4.020 . 4.020 3.267 3.192 3.343 . 0 0 "[ . 1 . 2]" 1
629 1 96 VAL QG 1 127 GLU HA 3.320 . 3.320 1.844 1.782 1.886 . 0 0 "[ . 1 . 2]" 1
630 1 95 CYS HB3 1 96 VAL QG 4.760 . 4.760 3.099 2.927 3.294 . 0 0 "[ . 1 . 2]" 1
631 1 95 CYS H 1 96 VAL QG 4.620 . 4.620 3.780 3.721 3.853 . 0 0 "[ . 1 . 2]" 1
632 1 96 VAL QG 1 129 MET H 5.240 . 5.240 3.989 3.811 4.190 . 0 0 "[ . 1 . 2]" 1
633 1 97 ASN HB2 1 101 LYS HD2 5.630 . 5.630 4.875 4.532 5.358 . 0 0 "[ . 1 . 2]" 1
634 1 97 ASN HB2 1 100 ILE MG 5.230 . 5.230 4.143 4.012 4.331 . 0 0 "[ . 1 . 2]" 1
635 1 97 ASN HB3 1 100 ILE MG 4.990 . 4.990 4.408 4.313 4.492 . 0 0 "[ . 1 . 2]" 1
636 1 98 ILE HA 1 98 ILE HG13 4.350 . 4.350 3.705 3.669 3.749 . 0 0 "[ . 1 . 2]" 1
637 1 98 ILE HA 1 98 ILE HG12 4.260 . 4.260 3.361 3.166 3.471 . 0 0 "[ . 1 . 2]" 1
638 1 97 ASN HB3 1 98 ILE HA 4.540 . 4.540 4.170 3.919 4.316 . 0 0 "[ . 1 . 2]" 1
639 1 98 ILE HA 1 101 LYS HA 5.210 . 5.210 5.187 4.884 5.233 0.023 8 0 "[ . 1 . 2]" 1
640 1 44 TYR HE2 1 98 ILE HA 5.020 . 5.020 4.645 4.335 5.000 . 0 0 "[ . 1 . 2]" 1
641 1 44 TYR HD2 1 98 ILE HB 4.990 . 4.990 4.817 4.706 4.951 . 0 0 "[ . 1 . 2]" 1
642 1 98 ILE HB 1 99 THR H 5.420 . 5.420 2.656 2.590 2.854 . 0 0 "[ . 1 . 2]" 1
643 1 79 TYR HA 1 98 ILE HB 4.910 . 4.910 2.487 2.257 2.938 . 0 0 "[ . 1 . 2]" 1
644 1 98 ILE HB 1 99 THR HA 5.160 . 5.160 4.330 4.241 4.554 . 0 0 "[ . 1 . 2]" 1
645 1 79 TYR HB3 1 98 ILE HB 5.070 . 5.070 4.075 3.878 4.347 . 0 0 "[ . 1 . 2]" 1
646 1 98 ILE HB 1 98 ILE MD 3.730 . 3.730 3.282 3.268 3.311 . 0 0 "[ . 1 . 2]" 1
647 1 98 ILE MD 1 98 ILE MG 2.980 . 2.980 2.247 2.161 2.354 . 0 0 "[ . 1 . 2]" 1
648 1 98 ILE MD 1 101 LYS HB2 4.050 . 4.050 3.739 3.282 3.888 . 0 0 "[ . 1 . 2]" 1
649 1 98 ILE HA 1 98 ILE MD 3.420 . 3.420 2.135 2.053 2.176 . 0 0 "[ . 1 . 2]" 1
650 1 79 TYR HA 1 98 ILE MD 5.090 . 5.090 4.543 4.342 4.960 . 0 0 "[ . 1 . 2]" 1
651 1 94 ASP HA 1 98 ILE MD 4.890 . 4.890 4.129 3.593 4.528 . 0 0 "[ . 1 . 2]" 1
652 1 44 TYR HD2 1 98 ILE MD 3.770 . 3.770 3.177 2.927 3.396 . 0 0 "[ . 1 . 2]" 1
653 1 44 TYR HE2 1 98 ILE MD 3.690 . 3.690 2.388 2.232 2.473 . 0 0 "[ . 1 . 2]" 1
654 1 98 ILE MD 1 99 THR H 5.160 . 5.160 4.608 4.556 4.719 . 0 0 "[ . 1 . 2]" 1
655 1 44 TYR HE2 1 98 ILE HG12 5.410 . 5.410 5.127 4.838 5.166 . 0 0 "[ . 1 . 2]" 1
656 1 97 ASN HB3 1 98 ILE HG12 4.950 . 4.950 4.109 3.602 4.307 . 0 0 "[ . 1 . 2]" 1
657 1 44 TYR HD2 1 98 ILE MG 3.530 . 3.530 2.171 2.082 2.269 . 0 0 "[ . 1 . 2]" 1
658 1 44 TYR HE2 1 98 ILE MG 3.660 . 3.660 3.238 3.048 3.383 . 0 0 "[ . 1 . 2]" 1
659 1 78 TYR HA 1 98 ILE MG 5.260 . 5.260 4.305 4.210 4.431 . 0 0 "[ . 1 . 2]" 1
660 1 79 TYR HA 1 98 ILE MG 4.440 . 4.440 3.132 2.873 3.365 . 0 0 "[ . 1 . 2]" 1
661 1 98 ILE MG 1 99 THR HA 3.980 . 3.980 3.380 3.274 3.515 . 0 0 "[ . 1 . 2]" 1
662 1 98 ILE HA 1 98 ILE MG 3.720 . 3.720 2.463 2.431 2.503 . 0 0 "[ . 1 . 2]" 1
663 1 44 TYR HB2 1 98 ILE MG 3.830 . 3.830 2.838 2.685 3.079 . 0 0 "[ . 1 . 2]" 1
664 1 41 LEU HG 1 98 ILE MG 3.450 . 3.450 2.413 2.276 2.576 . 0 0 "[ . 1 . 2]" 1
665 1 98 ILE MG 1 101 LYS HB2 4.490 . 4.490 3.870 3.714 3.938 . 0 0 "[ . 1 . 2]" 1
666 1 98 ILE MG 1 101 LYS HB3 4.800 . 4.800 4.523 4.020 4.812 0.012 17 0 "[ . 1 . 2]" 1
667 1 98 ILE HG13 1 98 ILE MG 3.500 . 3.500 2.179 2.129 2.251 . 0 0 "[ . 1 . 2]" 1
668 1 77 VAL QG 1 99 THR HA 5.910 . 5.910 4.886 4.653 5.060 . 0 0 "[ . 1 . 2]" 1
669 1 99 THR HA 1 100 ILE MG 6.000 . 6.000 5.281 5.191 5.389 . 0 0 "[ . 1 . 2]" 1
670 1 41 LEU MD1 1 99 THR HA 5.320 . 5.320 4.379 3.918 4.645 . 0 0 "[ . 1 . 2]" 1
671 1 99 THR HA 1 101 LYS HB2 5.950 . 5.950 5.113 4.970 5.236 . 0 0 "[ . 1 . 2]" 1
672 1 99 THR HA 1 101 LYS HB3 6.000 . 6.000 6.161 5.729 6.454 0.454 9 0 "[ . 1 . 2]" 1
673 1 77 VAL HB 1 99 THR HA 5.060 . 5.060 4.797 4.453 5.061 0.001 13 0 "[ . 1 . 2]" 1
674 1 78 TYR HD1 1 99 THR HA 4.150 . 4.150 2.540 2.324 2.648 . 0 0 "[ . 1 . 2]" 1
675 1 77 VAL QG 1 99 THR HB 4.670 . 4.670 3.971 3.872 4.085 . 0 0 "[ . 1 . 2]" 1
676 1 100 ILE MD 1 114 PHE HD2 5.280 . 5.280 5.117 4.707 5.290 0.010 19 0 "[ . 1 . 2]" 1
677 1 100 ILE MD 1 122 MET H 4.680 . 4.680 4.287 4.187 4.405 . 0 0 "[ . 1 . 2]" 1
678 1 100 ILE H 1 100 ILE MD 4.640 . 4.640 4.121 3.989 4.199 . 0 0 "[ . 1 . 2]" 1
679 1 99 THR HB 1 100 ILE MD 5.340 . 5.340 5.051 4.806 5.262 . 0 0 "[ . 1 . 2]" 1
680 1 100 ILE MD 1 120 LYS HA 4.990 . 4.990 4.289 4.147 4.453 . 0 0 "[ . 1 . 2]" 1
681 1 100 ILE HA 1 100 ILE MD 3.300 . 3.300 2.142 2.005 2.172 . 0 0 "[ . 1 . 2]" 1
682 1 100 ILE MD 1 103 HIS HB2 4.840 . 4.840 2.670 2.272 3.065 . 0 0 "[ . 1 . 2]" 1
683 1 100 ILE MD 1 123 GLU HB3 3.720 . 3.720 2.480 2.321 3.364 . 0 0 "[ . 1 . 2]" 1
684 1 100 ILE HB 1 100 ILE MD 3.600 . 3.600 2.345 2.284 2.488 . 0 0 "[ . 1 . 2]" 1
685 1 100 ILE MD 1 122 MET HG3 3.730 . 3.730 2.201 2.056 2.608 . 0 0 "[ . 1 . 2]" 1
686 1 100 ILE MD 1 122 MET HG2 3.930 . 3.930 2.529 2.233 2.673 . 0 0 "[ . 1 . 2]" 1
687 1 100 ILE MD 1 104 THR MG 3.660 . 3.660 2.649 2.478 2.905 . 0 0 "[ . 1 . 2]" 1
688 1 100 ILE MD 1 119 VAL MG1 3.580 . 3.580 3.221 2.870 3.298 . 0 0 "[ . 1 . 2]" 1
689 1 100 ILE HG13 1 100 ILE MG 3.580 . 3.580 2.436 2.409 2.485 . 0 0 "[ . 1 . 2]" 1
690 1 133 GLN HA 1 136 ARG HB2 4.110 . 4.110 3.491 2.430 4.059 . 0 0 "[ . 1 . 2]" 1
691 1 133 GLN HA 1 136 ARG HB3 4.360 . 4.360 2.920 2.177 4.131 . 0 0 "[ . 1 . 2]" 1
692 1 100 ILE MG 1 104 THR MG 3.790 . 3.790 3.729 3.504 3.880 0.090 13 0 "[ . 1 . 2]" 1
693 1 100 ILE MG 1 101 LYS HD2 4.990 . 4.990 4.205 3.401 4.540 . 0 0 "[ . 1 . 2]" 1
694 1 100 ILE MG 1 103 HIS HB2 5.230 . 5.230 4.960 4.791 5.110 . 0 0 "[ . 1 . 2]" 1
695 1 100 ILE MG 1 101 LYS HA 3.670 . 3.670 3.290 3.091 3.426 . 0 0 "[ . 1 . 2]" 1
696 1 131 ILE MG 1 132 THR HA 4.230 . 4.230 3.248 3.145 3.349 . 0 0 "[ . 1 . 2]" 1
697 1 97 ASN HA 1 100 ILE MG 3.690 . 3.690 2.007 1.939 2.109 . 0 0 "[ . 1 . 2]" 1
698 1 99 THR HB 1 100 ILE MG 4.510 . 4.510 4.136 3.979 4.332 . 0 0 "[ . 1 . 2]" 1
699 1 100 ILE MG 1 104 THR H 5.420 . 5.420 5.068 4.844 5.238 . 0 0 "[ . 1 . 2]" 1
700 1 98 ILE H 1 100 ILE MG 5.170 . 5.170 4.482 4.359 4.609 . 0 0 "[ . 1 . 2]" 1
701 1 101 LYS HA 1 104 THR MG 4.350 . 4.350 3.897 3.833 3.980 . 0 0 "[ . 1 . 2]" 1
702 1 100 ILE HA 1 103 HIS HA 5.320 . 5.320 4.939 4.738 5.068 . 0 0 "[ . 1 . 2]" 1
703 1 103 HIS HB2 1 106 THR HB 5.660 . 5.660 4.881 4.729 4.988 . 0 0 "[ . 1 . 2]" 1
704 1 103 HIS HB3 1 106 THR HB 5.980 . 5.980 4.300 4.023 4.621 . 0 0 "[ . 1 . 2]" 1
705 1 103 HIS HB3 1 107 THR MG 5.720 . 5.720 3.188 2.650 4.524 . 0 0 "[ . 1 . 2]" 1
706 1 103 HIS HB3 1 119 VAL MG1 5.530 . 5.530 4.464 4.156 4.674 . 0 0 "[ . 1 . 2]" 1
707 1 103 HIS HB2 1 104 THR MG 5.290 . 5.290 4.295 4.039 4.530 . 0 0 "[ . 1 . 2]" 1
708 1 103 HIS HB3 1 122 MET ME 4.670 . 4.670 3.135 2.795 3.444 . 0 0 "[ . 1 . 2]" 1
709 1 99 THR MG 1 103 HIS HB3 5.510 . 5.510 4.574 4.246 4.782 . 0 0 "[ . 1 . 2]" 1
710 1 99 THR MG 1 103 HIS HB2 5.070 . 5.070 3.571 3.214 3.805 . 0 0 "[ . 1 . 2]" 1
711 1 100 ILE HG13 1 103 HIS HB3 5.520 . 5.520 5.198 4.885 5.521 0.001 8 0 "[ . 1 . 2]" 1
712 1 100 ILE HG13 1 103 HIS HB2 4.950 . 4.950 4.373 3.948 4.736 . 0 0 "[ . 1 . 2]" 1
713 1 131 ILE H 1 132 THR MG 4.380 . 4.380 4.240 4.101 4.358 . 0 0 "[ . 1 . 2]" 1
714 1 129 MET HA 1 132 THR MG 3.310 . 3.310 2.367 2.216 2.464 . 0 0 "[ . 1 . 2]" 1
715 1 100 ILE HA 1 104 THR MG 4.400 . 4.400 3.951 3.844 4.108 . 0 0 "[ . 1 . 2]" 1
716 1 132 THR MG 1 133 GLN HG2 4.500 . 4.500 4.038 3.836 4.095 . 0 0 "[ . 1 . 2]" 1
717 1 99 THR MG 1 126 ILE MG 3.980 . 3.980 2.668 2.391 2.836 . 0 0 "[ . 1 . 2]" 1
718 1 105 VAL MG1 1 109 THR MG 3.510 . 3.510 3.487 3.349 3.682 0.172 16 0 "[ . 1 . 2]" 1
719 1 104 THR H 1 105 VAL MG1 5.070 . 5.070 4.236 4.181 4.296 . 0 0 "[ . 1 . 2]" 1
720 1 114 PHE HD2 1 119 VAL MG2 5.450 . 5.450 4.474 4.355 4.699 . 0 0 "[ . 1 . 2]" 1
721 1 53 PRO HG2 1 125 VAL MG2 4.210 . 4.210 3.820 3.359 3.997 . 0 0 "[ . 1 . 2]" 1
722 1 103 HIS HA 1 106 THR HA 5.770 . 5.770 4.707 4.565 4.867 . 0 0 "[ . 1 . 2]" 1
723 1 106 THR HA 1 106 THR MG 2.900 . 2.900 2.362 2.353 2.373 . 0 0 "[ . 1 . 2]" 1
724 1 107 THR HA 1 110 LYS HB3 5.610 . 5.610 4.951 4.825 5.143 . 0 0 "[ . 1 . 2]" 1
725 1 107 THR HA 1 112 GLU HG2 5.880 . 5.880 4.645 4.325 5.523 . 0 0 "[ . 1 . 2]" 1
726 1 107 THR HA 1 110 LYS HB2 4.460 . 4.460 3.320 3.200 3.490 . 0 0 "[ . 1 . 2]" 1
727 1 107 THR HA 1 112 GLU HB2 4.230 . 4.230 3.787 3.413 4.362 0.132 6 0 "[ . 1 . 2]" 1
728 1 105 VAL MG1 1 106 THR HA 3.700 . 3.700 3.231 3.173 3.288 . 0 0 "[ . 1 . 2]" 1
729 1 107 THR HB 1 114 PHE HD1 5.440 . 5.440 3.847 2.516 5.156 . 0 0 "[ . 1 . 2]" 1
730 1 103 HIS HA 1 106 THR HB 3.780 . 3.780 1.977 1.896 2.060 . 0 0 "[ . 1 . 2]" 1
731 1 107 THR HB 1 114 PHE HB2 5.040 . 5.040 3.412 2.751 3.805 . 0 0 "[ . 1 . 2]" 1
732 1 107 THR HB 1 112 GLU HB2 5.150 . 5.150 3.334 2.749 4.664 . 0 0 "[ . 1 . 2]" 1
733 1 107 THR HB 1 112 GLU HB3 5.420 . 5.420 2.614 2.298 3.935 . 0 0 "[ . 1 . 2]" 1
734 1 107 THR HB 1 112 GLU HG2 5.370 . 5.370 2.916 2.487 4.647 . 0 0 "[ . 1 . 2]" 1
735 1 105 VAL MG1 1 109 THR HB 3.900 . 3.900 4.241 4.086 4.301 0.401 8 0 "[ . 1 . 2]" 1
736 1 108 THR MG 1 114 PHE HB2 3.890 . 3.890 2.676 2.390 2.904 . 0 0 "[ . 1 . 2]" 1
737 1 103 HIS HA 1 106 THR MG 3.780 . 3.780 3.594 3.480 3.686 . 0 0 "[ . 1 . 2]" 1
738 1 108 THR MG 1 113 ASN HA 3.810 . 3.810 2.420 2.243 2.880 . 0 0 "[ . 1 . 2]" 1
739 1 108 THR MG 1 114 PHE HD1 4.410 . 4.410 4.152 3.718 4.238 . 0 0 "[ . 1 . 2]" 1
740 1 106 THR HA 1 110 LYS HE2 5.350 . 5.350 4.967 4.486 5.088 . 0 0 "[ . 1 . 2]" 1
741 1 103 HIS HA 1 107 THR HA 5.530 . 5.530 5.377 4.871 5.549 0.019 10 0 "[ . 1 . 2]" 1
742 1 105 VAL HA 1 109 THR HB 4.760 . 4.760 4.517 4.388 4.664 . 0 0 "[ . 1 . 2]" 1
743 1 108 THR HA 1 108 THR MG 3.020 . 3.020 2.300 2.279 2.323 . 0 0 "[ . 1 . 2]" 1
744 1 108 THR HA 1 114 PHE HD1 5.730 . 5.730 5.305 4.571 5.450 . 0 0 "[ . 1 . 2]" 1
745 1 108 THR HB 1 113 ASN HA 5.280 . 5.280 3.927 3.770 4.062 . 0 0 "[ . 1 . 2]" 1
746 1 108 THR HB 1 112 GLU HB2 6.000 . 6.000 6.032 5.731 6.312 0.312 6 0 "[ . 1 . 2]" 1
747 1 108 THR HB 1 112 GLU HB3 6.000 . 6.000 4.917 4.729 5.150 . 0 0 "[ . 1 . 2]" 1
748 1 97 ASN HD21 1 104 THR MG 6.000 . 6.000 6.011 5.764 6.069 0.069 14 0 "[ . 1 . 2]" 1
749 1 105 VAL MG2 1 109 THR HB 4.260 . 4.260 2.514 2.392 2.584 . 0 0 "[ . 1 . 2]" 1
750 1 109 THR MG 1 110 LYS HE3 4.170 . 4.170 3.300 2.690 4.128 . 0 0 "[ . 1 . 2]" 1
751 1 108 THR MG 1 112 GLU HB3 3.770 . 3.770 3.253 3.013 3.603 . 0 0 "[ . 1 . 2]" 1
752 1 106 THR H 1 109 THR MG 4.410 . 4.410 4.238 4.184 4.309 . 0 0 "[ . 1 . 2]" 1
753 1 108 THR H 1 109 THR MG 4.980 . 4.980 4.422 4.315 4.483 . 0 0 "[ . 1 . 2]" 1
754 1 110 LYS HB2 1 110 LYS HE2 4.690 . 4.690 4.333 3.990 4.696 0.006 12 0 "[ . 1 . 2]" 1
755 1 108 THR HA 1 111 GLY HA2 5.020 . 5.020 4.962 4.720 5.286 0.266 18 0 "[ . 1 . 2]" 1
756 1 112 GLU HA 1 114 PHE HD1 4.830 . 4.830 4.651 4.451 4.933 0.103 6 0 "[ . 1 . 2]" 1
757 1 112 GLU HB3 1 114 PHE HD1 4.240 . 4.240 3.309 2.614 3.553 . 0 0 "[ . 1 . 2]" 1
758 1 112 GLU HB3 1 114 PHE HE1 4.710 . 4.710 4.575 3.749 4.724 0.014 5 0 "[ . 1 . 2]" 1
759 1 108 THR HA 1 112 GLU HB2 4.490 . 4.490 3.545 3.261 3.895 . 0 0 "[ . 1 . 2]" 1
760 1 108 THR HA 1 112 GLU HB3 4.760 . 4.760 2.611 2.506 2.860 . 0 0 "[ . 1 . 2]" 1
761 1 112 GLU HB3 1 113 ASN HA 4.640 . 4.640 4.108 3.991 4.202 . 0 0 "[ . 1 . 2]" 1
762 1 112 GLU HA 1 112 GLU HG3 3.310 . 3.310 2.493 2.108 2.806 . 0 0 "[ . 1 . 2]" 1
763 1 112 GLU HG2 1 114 PHE HD1 4.590 . 4.590 2.594 2.110 2.863 . 0 0 "[ . 1 . 2]" 1
764 1 112 GLU HG2 1 114 PHE HB2 5.210 . 5.210 4.402 4.157 4.846 . 0 0 "[ . 1 . 2]" 1
765 1 24 ASN HA 1 24 ASN HD22 4.840 . 4.840 3.925 3.457 4.835 . 0 0 "[ . 1 . 2]" 1
766 1 113 ASN HA 1 114 PHE HD1 5.020 . 5.020 4.501 4.446 4.595 . 0 0 "[ . 1 . 2]" 1
767 1 112 GLU HB3 1 113 ASN HB2 5.460 . 5.460 5.311 5.194 5.397 . 0 0 "[ . 1 . 2]" 1
768 1 108 THR MG 1 113 ASN HB2 5.330 . 5.330 4.726 4.521 5.221 . 0 0 "[ . 1 . 2]" 1
769 1 112 GLU HG3 1 113 ASN HB3 5.800 . 5.800 5.059 4.811 5.430 . 0 0 "[ . 1 . 2]" 1
770 1 112 GLU HB3 1 113 ASN HB3 6.000 . 6.000 5.882 5.674 6.010 0.010 4 0 "[ . 1 . 2]" 1
771 1 108 THR MG 1 113 ASN HB3 5.400 . 5.400 4.975 4.863 5.196 . 0 0 "[ . 1 . 2]" 1
772 1 108 THR MG 1 114 PHE HA 4.810 . 4.810 4.322 4.162 4.537 . 0 0 "[ . 1 . 2]" 1
773 1 114 PHE HA 1 118 ASP HB3 4.280 . 4.280 3.680 3.497 3.866 . 0 0 "[ . 1 . 2]" 1
774 1 114 PHE HA 1 118 ASP HB2 4.240 . 4.240 3.002 2.847 3.158 . 0 0 "[ . 1 . 2]" 1
775 1 114 PHE HA 1 114 PHE HD1 3.770 . 3.770 2.705 2.489 3.244 . 0 0 "[ . 1 . 2]" 1
776 1 114 PHE HB3 1 118 ASP HB2 4.620 . 4.620 2.630 2.473 2.828 . 0 0 "[ . 1 . 2]" 1
777 1 108 THR MG 1 114 PHE HB3 5.210 . 5.210 3.870 3.542 4.146 . 0 0 "[ . 1 . 2]" 1
778 1 114 PHE HB3 1 122 MET ME 5.450 . 5.450 4.205 4.054 4.355 . 0 0 "[ . 1 . 2]" 1
779 1 115 THR HA 1 115 THR MG 3.720 . 3.720 3.258 3.256 3.260 . 0 0 "[ . 1 . 2]" 1
780 1 115 THR HA 1 116 GLU HB2 5.480 . 5.480 4.759 4.709 4.829 . 0 0 "[ . 1 . 2]" 1
781 1 115 THR HA 1 116 GLU HA 4.960 . 4.960 4.324 4.313 4.337 . 0 0 "[ . 1 . 2]" 1
782 1 114 PHE HA 1 115 THR HA 4.900 . 4.900 4.437 4.416 4.446 . 0 0 "[ . 1 . 2]" 1
783 1 115 THR HA 1 119 VAL H 5.570 . 5.570 5.135 5.016 5.240 . 0 0 "[ . 1 . 2]" 1
784 1 115 THR HB 1 118 ASP H 5.300 . 5.300 4.934 4.825 5.041 . 0 0 "[ . 1 . 2]" 1
785 1 65 TYR HE2 1 115 THR MG 5.760 . 5.760 5.390 5.032 5.528 . 0 0 "[ . 1 . 2]" 1
786 1 114 PHE HA 1 115 THR MG 4.430 . 4.430 3.842 3.770 3.933 . 0 0 "[ . 1 . 2]" 1
787 1 115 THR MG 1 116 GLU HA 4.920 . 4.920 4.401 4.386 4.431 . 0 0 "[ . 1 . 2]" 1
788 1 115 THR MG 1 117 THR HB 4.350 . 4.350 2.404 2.283 2.597 . 0 0 "[ . 1 . 2]" 1
789 1 115 THR MG 1 118 ASP HB3 5.160 . 5.160 4.541 4.346 4.714 . 0 0 "[ . 1 . 2]" 1
790 1 115 THR MG 1 117 THR MG 4.530 . 4.530 3.727 3.641 3.853 . 0 0 "[ . 1 . 2]" 1
791 1 120 LYS HA 1 123 GLU HA 5.520 . 5.520 5.328 4.998 5.399 . 0 0 "[ . 1 . 2]" 1
792 1 101 LYS HA 1 101 LYS HG2 4.180 . 4.180 2.954 2.656 3.617 . 0 0 "[ . 1 . 2]" 1
793 1 116 GLU HA 1 119 VAL MG2 3.360 . 3.360 2.018 1.976 2.063 . 0 0 "[ . 1 . 2]" 1
794 1 143 GLN HB3 1 145 GLY H 5.720 . 5.720 4.952 4.836 5.109 . 0 0 "[ . 1 . 2]" 1
795 1 116 GLU HB2 1 116 GLU HG3 2.970 . 2.970 2.439 2.378 2.464 . 0 0 "[ . 1 . 2]" 1
796 1 134 TYR QD 1 135 GLU HG2 4.880 . 4.880 2.261 2.073 2.554 . 0 0 "[ . 1 . 2]" 1
797 1 135 GLU HA 1 135 GLU HG2 3.750 . 3.750 2.692 2.381 3.114 . 0 0 "[ . 1 . 2]" 1
798 1 116 GLU HA 1 116 GLU HG2 3.580 . 3.580 3.015 2.888 3.085 . 0 0 "[ . 1 . 2]" 1
799 1 134 TYR HA 1 135 GLU HG2 5.480 . 5.480 5.234 5.085 5.265 . 0 0 "[ . 1 . 2]" 1
800 1 116 GLU HB3 1 116 GLU HG2 2.980 . 2.980 2.496 2.477 2.571 . 0 0 "[ . 1 . 2]" 1
801 1 116 GLU HG2 1 120 LYS HG2 5.520 . 5.520 3.633 3.361 3.913 . 0 0 "[ . 1 . 2]" 1
802 1 116 GLU HA 1 117 THR HA 5.260 . 5.260 4.875 4.828 4.891 . 0 0 "[ . 1 . 2]" 1
803 1 116 GLU HG2 1 117 THR HA 4.870 . 4.870 3.925 3.779 4.046 . 0 0 "[ . 1 . 2]" 1
804 1 117 THR HA 1 117 THR MG 3.320 . 3.320 2.287 2.252 2.328 . 0 0 "[ . 1 . 2]" 1
805 1 118 ASP HA 1 121 MET HG3 3.940 . 3.940 2.991 2.862 3.348 . 0 0 "[ . 1 . 2]" 1
806 1 118 ASP HA 1 121 MET HB2 4.540 . 4.540 3.836 3.686 4.041 . 0 0 "[ . 1 . 2]" 1
807 1 118 ASP HA 1 122 MET ME 5.060 . 5.060 5.368 5.138 5.559 0.499 9 0 "[ . 1 . 2]" 1
808 1 114 PHE HD2 1 118 ASP HB2 3.830 . 3.830 2.732 2.437 2.885 . 0 0 "[ . 1 . 2]" 1
809 1 119 VAL HA 1 120 LYS HA 5.360 . 5.360 4.757 4.721 4.789 . 0 0 "[ . 1 . 2]" 1
810 1 119 VAL HA 1 122 MET HG3 5.030 . 5.030 4.274 4.037 4.533 . 0 0 "[ . 1 . 2]" 1
811 1 119 VAL HA 1 122 MET HG2 4.540 . 4.540 2.557 2.339 2.818 . 0 0 "[ . 1 . 2]" 1
812 1 119 VAL HA 1 122 MET ME 3.900 . 3.900 2.271 2.159 2.396 . 0 0 "[ . 1 . 2]" 1
813 1 119 VAL HA 1 119 VAL MG2 3.750 . 3.750 3.248 3.239 3.255 . 0 0 "[ . 1 . 2]" 1
814 1 100 ILE MD 1 119 VAL HA 4.090 . 4.090 3.297 3.098 3.535 . 0 0 "[ . 1 . 2]" 1
815 1 114 PHE HD2 1 119 VAL HB 5.600 . 5.600 4.435 4.285 4.673 . 0 0 "[ . 1 . 2]" 1
816 1 114 PHE HB3 1 119 VAL HB 5.520 . 5.520 5.086 4.950 5.329 . 0 0 "[ . 1 . 2]" 1
817 1 114 PHE HD2 1 119 VAL MG1 3.790 . 3.790 2.259 2.160 2.411 . 0 0 "[ . 1 . 2]" 1
818 1 73 TYR HE2 1 119 VAL MG1 6.000 . 6.000 5.532 5.188 5.755 . 0 0 "[ . 1 . 2]" 1
819 1 114 PHE HA 1 119 VAL MG1 4.690 . 4.690 4.345 4.227 4.526 . 0 0 "[ . 1 . 2]" 1
820 1 115 THR HA 1 119 VAL MG1 4.410 . 4.410 4.283 4.094 4.416 0.006 1 0 "[ . 1 . 2]" 1
821 1 116 GLU HA 1 119 VAL MG1 3.890 . 3.890 3.724 3.636 3.783 . 0 0 "[ . 1 . 2]" 1
822 1 119 VAL HA 1 119 VAL MG1 3.300 . 3.300 2.354 2.339 2.366 . 0 0 "[ . 1 . 2]" 1
823 1 114 PHE HB3 1 119 VAL MG1 3.900 . 3.900 2.196 2.118 2.386 . 0 0 "[ . 1 . 2]" 1
824 1 114 PHE HB2 1 119 VAL MG1 3.930 . 3.930 3.256 3.145 3.456 . 0 0 "[ . 1 . 2]" 1
825 1 119 VAL MG1 1 122 MET ME 3.550 . 3.550 2.467 2.317 2.693 . 0 0 "[ . 1 . 2]" 1
826 1 120 LYS HA 1 120 LYS HB3 3.130 . 3.130 2.438 2.409 2.483 . 0 0 "[ . 1 . 2]" 1
827 1 120 LYS HA 1 123 GLU HB3 3.040 . 3.040 3.286 2.142 3.372 0.332 10 0 "[ . 1 . 2]" 1
828 1 119 VAL MG2 1 120 LYS HA 3.920 . 3.920 3.475 3.413 3.551 . 0 0 "[ . 1 . 2]" 1
829 1 128 GLN HE21 1 129 MET HB2 4.520 . 4.520 2.678 2.437 3.233 . 0 0 "[ . 1 . 2]" 1
830 1 57 PHE QE 1 121 MET HA 4.300 . 4.300 2.808 2.307 3.482 . 0 0 "[ . 1 . 2]" 1
831 1 128 GLN HE21 1 129 MET HA 4.480 . 4.480 2.704 2.045 3.432 . 0 0 "[ . 1 . 2]" 1
832 1 121 MET HA 1 122 MET HA 5.210 . 5.210 4.639 4.612 4.659 . 0 0 "[ . 1 . 2]" 1
833 1 96 VAL QG 1 129 MET HA 5.610 . 5.610 5.538 5.334 5.744 0.134 20 0 "[ . 1 . 2]" 1
834 1 57 PHE QD 1 121 MET ME 3.650 . 3.650 2.335 2.095 2.492 . 0 0 "[ . 1 . 2]" 1
835 1 57 PHE QE 1 121 MET ME 3.230 . 3.230 2.203 2.020 3.100 . 0 0 "[ . 1 . 2]" 1
836 1 65 TYR HD2 1 121 MET ME 3.440 . 3.440 2.239 1.958 2.525 . 0 0 "[ . 1 . 2]" 1
837 1 121 MET HA 1 121 MET ME 4.180 . 4.180 3.564 3.251 4.080 . 0 0 "[ . 1 . 2]" 1
838 1 66 TYR HB3 1 121 MET ME 3.350 . 3.350 2.737 2.537 3.067 . 0 0 "[ . 1 . 2]" 1
839 1 121 MET ME 1 121 MET HG3 3.270 . 3.270 2.314 2.206 2.381 . 0 0 "[ . 1 . 2]" 1
840 1 62 GLU QG 1 121 MET ME 3.170 . 3.170 2.418 2.165 2.638 . 0 0 "[ . 1 . 2]" 1
841 1 120 LYS HD2 1 121 MET ME 4.540 . 4.540 3.942 3.463 4.152 . 0 0 "[ . 1 . 2]" 1
842 1 117 THR MG 1 121 MET ME 3.640 . 3.640 4.083 3.217 4.347 0.707 20 13 "[** *** *1****.-* +]" 1
843 1 117 THR MG 1 121 MET HG3 4.240 . 4.240 4.566 4.411 4.783 0.543 19 1 "[ . 1 . +2]" 1
844 1 121 MET HA 1 121 MET HG3 4.390 . 4.390 3.874 3.778 3.902 . 0 0 "[ . 1 . 2]" 1
845 1 73 TYR HE2 1 121 MET HG3 4.890 . 4.890 4.102 3.955 4.302 . 0 0 "[ . 1 . 2]" 1
846 1 66 TYR HD1 1 121 MET HG3 4.760 . 4.760 3.839 3.343 4.282 . 0 0 "[ . 1 . 2]" 1
847 1 57 PHE QD 1 121 MET HG3 5.810 . 5.810 5.194 4.934 5.398 . 0 0 "[ . 1 . 2]" 1
848 1 120 LYS HG2 1 121 MET HG2 5.430 . 5.430 4.665 4.432 4.774 . 0 0 "[ . 1 . 2]" 1
849 1 139 GLN HG2 1 140 ALA MB 5.800 . 5.800 4.934 4.583 5.110 . 0 0 "[ . 1 . 2]" 1
850 1 122 MET HG2 1 123 GLU HA 4.790 . 4.790 4.485 4.240 4.616 . 0 0 "[ . 1 . 2]" 1
851 1 122 MET ME 1 122 MET HG2 3.570 . 3.570 2.378 2.333 2.408 . 0 0 "[ . 1 . 2]" 1
852 1 122 MET HG2 1 126 ILE MD 4.950 . 4.950 4.975 4.685 5.140 0.190 10 0 "[ . 1 . 2]" 1
853 1 100 ILE MD 1 123 GLU HA 4.480 . 4.480 3.431 3.187 3.855 . 0 0 "[ . 1 . 2]" 1
854 1 100 ILE MG 1 123 GLU HA 3.990 . 3.990 4.174 3.941 4.400 0.410 14 0 "[ . 1 . 2]" 1
855 1 123 GLU HA 1 126 ILE HG13 4.470 . 4.470 3.306 3.218 3.457 . 0 0 "[ . 1 . 2]" 1
856 1 120 LYS HD3 1 123 GLU HG2 5.130 . 5.130 5.276 4.769 5.752 0.622 20 5 "[ . 1 * ** - +]" 1
857 1 120 LYS HB2 1 123 GLU HG2 3.930 . 3.930 3.731 3.512 4.059 0.129 16 0 "[ . 1 . 2]" 1
858 1 120 LYS HA 1 123 GLU HG2 4.210 . 4.210 2.217 2.034 3.053 . 0 0 "[ . 1 . 2]" 1
859 1 55 ILE MG 1 124 ARG HA 5.500 . 5.500 5.198 5.037 5.388 . 0 0 "[ . 1 . 2]" 1
860 1 55 ILE MD 1 124 ARG HA 6.000 . 6.000 6.447 6.295 6.581 0.581 9 5 "[ . -+** . * 2]" 1
861 1 124 ARG HA 1 124 ARG HG2 3.650 . 3.650 2.326 2.213 2.455 . 0 0 "[ . 1 . 2]" 1
862 1 124 ARG HA 1 124 ARG HD3 3.780 . 3.780 2.594 2.417 2.767 . 0 0 "[ . 1 . 2]" 1
863 1 57 PHE QD 1 124 ARG HB3 4.820 . 4.820 3.990 3.723 4.176 . 0 0 "[ . 1 . 2]" 1
864 1 55 ILE MD 1 124 ARG HB3 5.010 . 5.010 5.352 5.193 5.499 0.489 9 0 "[ . 1 . 2]" 1
865 1 57 PHE QD 1 124 ARG HD3 5.420 . 5.420 5.075 4.718 5.410 . 0 0 "[ . 1 . 2]" 1
866 1 57 PHE QE 1 124 ARG HD3 4.510 . 4.510 3.823 3.309 4.144 . 0 0 "[ . 1 . 2]" 1
867 1 55 ILE MD 1 124 ARG HD3 5.310 . 5.310 5.024 4.638 5.242 . 0 0 "[ . 1 . 2]" 1
868 1 55 ILE MG 1 124 ARG HD2 4.270 . 4.270 2.202 2.117 2.398 . 0 0 "[ . 1 . 2]" 1
869 1 55 ILE MD 1 124 ARG HD2 4.520 . 4.520 4.282 4.108 4.548 0.028 5 0 "[ . 1 . 2]" 1
870 1 55 ILE HB 1 124 ARG HD2 5.150 . 5.150 3.591 3.392 3.853 . 0 0 "[ . 1 . 2]" 1
871 1 124 ARG HB3 1 124 ARG HD2 3.660 . 3.660 2.452 2.249 2.801 . 0 0 "[ . 1 . 2]" 1
872 1 124 ARG HA 1 124 ARG HD2 4.140 . 4.140 3.547 3.288 3.971 . 0 0 "[ . 1 . 2]" 1
873 1 57 PHE HZ 1 124 ARG HD2 5.300 . 5.300 4.393 4.096 4.556 . 0 0 "[ . 1 . 2]" 1
874 1 57 PHE QD 1 124 ARG HD2 4.700 . 4.700 3.768 3.111 4.292 . 0 0 "[ . 1 . 2]" 1
875 1 57 PHE HZ 1 124 ARG HG3 5.250 . 5.250 4.574 4.297 4.863 . 0 0 "[ . 1 . 2]" 1
876 1 57 PHE QE 1 124 ARG HG3 4.330 . 4.330 2.704 2.459 3.031 . 0 0 "[ . 1 . 2]" 1
877 1 57 PHE QD 1 124 ARG HG3 5.040 . 5.040 2.901 2.525 3.140 . 0 0 "[ . 1 . 2]" 1
878 1 124 ARG HA 1 124 ARG HG3 4.120 . 4.120 3.573 3.524 3.639 . 0 0 "[ . 1 . 2]" 1
879 1 143 GLN HG2 1 144 ARG HG2 4.340 . 4.340 4.048 3.336 4.343 0.003 20 0 "[ . 1 . 2]" 1
880 1 143 GLN HB3 1 144 ARG HG2 4.320 . 4.320 3.059 2.412 3.568 . 0 0 "[ . 1 . 2]" 1
881 1 57 PHE QE 1 125 VAL HA 6.000 . 6.000 4.659 4.428 4.847 . 0 0 "[ . 1 . 2]" 1
882 1 125 VAL HA 1 128 GLN HE21 6.000 . 6.000 4.769 3.812 6.003 0.003 6 0 "[ . 1 . 2]" 1
883 1 125 VAL HA 1 128 GLN QG 4.540 . 4.540 3.065 2.789 3.466 . 0 0 "[ . 1 . 2]" 1
884 1 53 PRO HG2 1 125 VAL HA 3.810 . 3.810 2.977 2.711 3.586 . 0 0 "[ . 1 . 2]" 1
885 1 53 PRO HB2 1 125 VAL HA 4.940 . 4.940 4.771 4.534 5.189 0.249 5 0 "[ . 1 . 2]" 1
886 1 55 ILE HG13 1 125 VAL HA 3.990 . 3.990 2.423 2.134 2.604 . 0 0 "[ . 1 . 2]" 1
887 1 123 GLU HA 1 126 ILE MD 3.450 . 3.450 2.288 2.203 2.356 . 0 0 "[ . 1 . 2]" 1
888 1 99 THR HB 1 126 ILE MD 3.990 . 3.990 1.951 1.897 2.060 . 0 0 "[ . 1 . 2]" 1
889 1 99 THR HA 1 126 ILE MD 5.110 . 5.110 4.485 4.448 4.578 . 0 0 "[ . 1 . 2]" 1
890 1 125 VAL H 1 126 ILE MD 5.830 . 5.830 5.235 5.143 5.300 . 0 0 "[ . 1 . 2]" 1
891 1 100 ILE H 1 126 ILE MD 5.420 . 5.420 2.993 2.920 3.098 . 0 0 "[ . 1 . 2]" 1
892 1 100 ILE HB 1 126 ILE MD 3.690 . 3.690 2.692 2.547 2.823 . 0 0 "[ . 1 . 2]" 1
893 1 99 THR MG 1 126 ILE MD 3.640 . 3.640 2.409 2.207 2.538 . 0 0 "[ . 1 . 2]" 1
894 1 122 MET HB2 1 126 ILE MD 4.220 . 4.220 4.338 4.175 4.450 0.230 17 0 "[ . 1 . 2]" 1
895 1 126 ILE MD 1 126 ILE MG 3.340 . 3.340 2.113 2.096 2.130 . 0 0 "[ . 1 . 2]" 1
896 1 123 GLU HA 1 126 ILE HG12 4.300 . 4.300 2.196 2.049 2.406 . 0 0 "[ . 1 . 2]" 1
897 1 99 THR MG 1 126 ILE HG13 5.960 . 5.960 4.796 4.489 4.989 . 0 0 "[ . 1 . 2]" 1
898 1 99 THR HB 1 126 ILE HG13 5.260 . 5.260 4.402 4.305 4.591 . 0 0 "[ . 1 . 2]" 1
899 1 126 ILE MG 1 129 MET H 5.900 . 5.900 5.061 4.948 5.229 . 0 0 "[ . 1 . 2]" 1
900 1 126 ILE HA 1 126 ILE MG 3.460 . 3.460 2.354 2.321 2.375 . 0 0 "[ . 1 . 2]" 1
901 1 99 THR HB 1 126 ILE MG 4.020 . 4.020 3.873 3.708 3.959 . 0 0 "[ . 1 . 2]" 1
902 1 122 MET HB2 1 126 ILE MG 4.200 . 4.200 3.782 3.422 4.062 . 0 0 "[ . 1 . 2]" 1
903 1 126 ILE MG 1 129 MET ME 4.060 . 4.060 3.693 2.358 4.566 0.506 12 1 "[ . 1 + . 2]" 1
904 1 127 GLU HA 1 131 ILE MD 5.270 . 5.270 4.179 4.099 4.258 . 0 0 "[ . 1 . 2]" 1
905 1 124 ARG HA 1 127 GLU HB2 3.450 . 3.450 2.353 2.184 2.529 . 0 0 "[ . 1 . 2]" 1
906 1 55 ILE MD 1 128 GLN HB2 5.210 . 5.210 4.027 3.694 4.244 . 0 0 "[ . 1 . 2]" 1
907 1 55 ILE HG13 1 128 GLN HB3 4.540 . 4.540 4.163 3.703 4.536 . 0 0 "[ . 1 . 2]" 1
908 1 124 ARG HD2 1 128 GLN HB3 5.030 . 5.030 4.858 4.463 5.318 0.288 19 0 "[ . 1 . 2]" 1
909 1 139 GLN HA 1 139 GLN HB2 3.090 . 3.090 2.521 2.459 2.563 . 0 0 "[ . 1 . 2]" 1
910 1 55 ILE MG 1 128 GLN QG 4.910 . 4.910 4.025 3.572 4.336 . 0 0 "[ . 1 . 2]" 1
911 1 57 PHE HZ 1 121 MET HA 3.510 . 3.510 3.299 3.087 3.585 0.075 17 0 "[ . 1 . 2]" 1
912 1 130 CYS HA 1 133 GLN QB 4.630 . 4.630 3.973 3.827 4.155 . 0 0 "[ . 1 . 2]" 1
913 1 96 VAL QG 1 130 CYS HB2 4.880 . 4.880 1.998 1.953 2.121 . 0 0 "[ . 1 . 2]" 1
914 1 131 ILE HA 1 131 ILE HG12 4.310 . 4.310 2.589 2.557 2.647 . 0 0 "[ . 1 . 2]" 1
915 1 131 ILE HA 1 134 TYR HA 5.550 . 5.550 5.218 5.060 5.454 . 0 0 "[ . 1 . 2]" 1
916 1 131 ILE HA 1 134 TYR QD 5.210 . 5.210 4.288 3.954 4.505 . 0 0 "[ . 1 . 2]" 1
917 1 129 MET H 1 131 ILE HB 5.970 . 5.970 4.963 4.890 5.052 . 0 0 "[ . 1 . 2]" 1
918 1 131 ILE HB 1 132 THR HA 4.910 . 4.910 4.319 4.238 4.378 . 0 0 "[ . 1 . 2]" 1
919 1 128 GLN HA 1 131 ILE MD 4.640 . 4.640 2.315 2.223 2.368 . 0 0 "[ . 1 . 2]" 1
920 1 131 ILE HB 1 131 ILE MD 3.120 . 3.120 2.398 2.375 2.418 . 0 0 "[ . 1 . 2]" 1
921 1 131 ILE HG12 1 131 ILE MG 3.750 . 3.750 2.337 2.322 2.351 . 0 0 "[ . 1 . 2]" 1
922 1 131 ILE HG13 1 132 THR MG 6.000 . 6.000 5.992 5.875 6.054 0.054 8 0 "[ . 1 . 2]" 1
923 1 128 GLN HA 1 131 ILE HG13 4.280 . 4.280 3.469 3.384 3.560 . 0 0 "[ . 1 . 2]" 1
924 1 131 ILE MG 1 135 GLU HG2 5.070 . 5.070 3.536 2.647 4.550 . 0 0 "[ . 1 . 2]" 1
925 1 131 ILE HA 1 131 ILE MG 3.540 . 3.540 2.469 2.427 2.484 . 0 0 "[ . 1 . 2]" 1
926 1 131 ILE MG 1 134 TYR QD 4.630 . 4.630 3.863 3.356 4.157 . 0 0 "[ . 1 . 2]" 1
927 1 131 ILE MG 1 134 TYR QE 6.000 . 6.000 5.360 4.927 5.603 . 0 0 "[ . 1 . 2]" 1
928 1 100 ILE MG 1 124 ARG H 6.000 . 6.000 6.427 6.249 6.559 0.559 4 5 "[ +. * - *. *]" 1
929 1 131 ILE MG 1 132 THR H 4.740 . 4.740 3.451 3.402 3.499 . 0 0 "[ . 1 . 2]" 1
930 1 132 THR HA 1 135 GLU HG3 4.900 . 4.900 3.851 3.171 4.523 . 0 0 "[ . 1 . 2]" 1
931 1 132 THR HA 1 135 GLU HB2 4.590 . 4.590 3.332 2.752 3.874 . 0 0 "[ . 1 . 2]" 1
932 1 128 GLN HB2 1 132 THR HB 4.800 . 4.800 4.037 3.830 4.191 . 0 0 "[ . 1 . 2]" 1
933 1 131 ILE HB 1 132 THR HB 4.870 . 4.870 4.349 4.166 4.496 . 0 0 "[ . 1 . 2]" 1
934 1 131 ILE MG 1 132 THR HB 5.190 . 5.190 4.332 4.146 4.464 . 0 0 "[ . 1 . 2]" 1
935 1 109 THR MG 1 110 LYS HD3 4.790 . 4.790 4.136 3.153 4.501 . 0 0 "[ . 1 . 2]" 1
936 1 132 THR MG 1 133 GLN QB 3.500 . 3.500 3.212 3.110 3.321 . 0 0 "[ . 1 . 2]" 1
937 1 104 THR HA 1 104 THR MG 3.200 . 3.200 2.306 2.265 2.340 . 0 0 "[ . 1 . 2]" 1
938 1 128 GLN HE21 1 132 THR MG 4.310 . 4.310 4.050 3.018 4.811 0.501 14 2 "[ - 1 +. 2]" 1
939 1 132 THR HA 1 133 GLN HA 5.640 . 5.640 4.642 4.619 4.669 . 0 0 "[ . 1 . 2]" 1
940 1 133 GLN HA 1 136 ARG HA 6.000 . 6.000 5.221 4.954 5.364 . 0 0 "[ . 1 . 2]" 1
941 1 128 GLN HA 1 131 ILE HB 4.120 . 4.120 2.245 2.114 2.432 . 0 0 "[ . 1 . 2]" 1
942 1 132 THR MG 1 133 GLN HA 5.000 . 5.000 3.439 3.344 3.537 . 0 0 "[ . 1 . 2]" 1
943 1 134 TYR HA 1 134 TYR QE 5.330 . 5.330 4.708 4.556 4.864 . 0 0 "[ . 1 . 2]" 1
944 1 133 GLN QE 1 134 TYR HA 5.310 . 5.310 3.610 2.992 4.125 . 0 0 "[ . 1 . 2]" 1
945 1 92 VAL MG1 1 134 TYR HA 5.450 . 5.450 5.281 4.960 5.466 0.016 19 0 "[ . 1 . 2]" 1
946 1 133 GLN HG3 1 134 TYR HB2 5.450 . 5.450 3.642 3.516 3.810 . 0 0 "[ . 1 . 2]" 1
947 1 131 ILE MG 1 134 TYR HB2 5.370 . 5.370 4.555 4.085 4.883 . 0 0 "[ . 1 . 2]" 1
948 1 134 TYR QD 1 135 GLU HB2 6.000 . 6.000 4.661 4.450 4.877 . 0 0 "[ . 1 . 2]" 1
949 1 131 ILE MG 1 135 GLU HB2 5.520 . 5.520 4.304 3.763 4.910 . 0 0 "[ . 1 . 2]" 1
950 1 131 ILE MG 1 135 GLU HG3 4.450 . 4.450 3.037 2.436 3.536 . 0 0 "[ . 1 . 2]" 1
951 1 134 TYR QE 1 135 GLU HG3 6.000 . 6.000 5.329 4.897 5.470 . 0 0 "[ . 1 . 2]" 1
952 1 134 TYR QD 1 135 GLU HG3 4.780 . 4.780 3.481 2.760 4.004 . 0 0 "[ . 1 . 2]" 1
953 1 64 ARG HA 1 67 ARG HB2 3.320 . 3.320 2.161 1.979 2.349 . 0 0 "[ . 1 . 2]" 1
954 1 64 ARG HA 1 68 GLU HG3 4.840 . 4.840 3.943 3.463 4.341 . 0 0 "[ . 1 . 2]" 1
955 1 64 ARG HA 1 66 TYR HD2 6.000 . 6.000 5.447 4.996 5.654 . 0 0 "[ . 1 . 2]" 1
956 1 137 GLU HA 1 137 GLU HG3 4.100 . 4.100 2.644 2.226 3.838 . 0 0 "[ . 1 . 2]" 1
957 1 137 GLU HA 1 137 GLU HG2 4.100 . 4.100 3.253 2.585 3.659 . 0 0 "[ . 1 . 2]" 1
958 1 138 SER HA 1 141 TYR HD1 4.220 . 4.220 2.098 1.912 2.286 . 0 0 "[ . 1 . 2]" 1
959 1 133 GLN QE 1 138 SER HA 5.680 . 5.680 4.841 4.399 5.253 . 0 0 "[ . 1 . 2]" 1
960 1 133 GLN QE 1 138 SER HB2 5.240 . 5.240 3.649 2.917 4.525 . 0 0 "[ . 1 . 2]" 1
961 1 138 SER HB2 1 141 TYR HD1 5.820 . 5.820 4.547 3.846 4.993 . 0 0 "[ . 1 . 2]" 1
962 1 134 TYR QE 1 138 SER HB2 5.180 . 5.180 5.111 4.215 5.763 0.583 2 1 "[ + . 1 . 2]" 1
963 1 134 TYR HA 1 138 SER HB2 5.250 . 5.250 2.706 1.993 3.633 . 0 0 "[ . 1 . 2]" 1
964 1 134 TYR HA 1 138 SER HB3 5.250 . 5.250 2.523 2.023 3.622 . 0 0 "[ . 1 . 2]" 1
965 1 133 GLN QE 1 138 SER HB3 5.240 . 5.240 4.268 3.618 4.471 . 0 0 "[ . 1 . 2]" 1
966 1 138 SER HB3 1 141 TYR HD1 5.820 . 5.820 4.716 4.009 5.024 . 0 0 "[ . 1 . 2]" 1
967 1 134 TYR QE 1 138 SER HB3 5.180 . 5.180 4.660 4.002 5.357 0.177 10 0 "[ . 1 . 2]" 1
968 1 139 GLN HA 1 139 GLN HG3 3.460 . 3.460 2.571 2.454 2.720 . 0 0 "[ . 1 . 2]" 1
969 1 140 ALA HA 1 141 TYR HD1 6.000 . 6.000 5.881 5.633 6.008 0.008 5 0 "[ . 1 . 2]" 1
970 1 139 GLN HG2 1 140 ALA HA 4.200 . 4.200 4.026 3.761 4.196 . 0 0 "[ . 1 . 2]" 1
971 1 140 ALA MB 1 144 ARG HB2 4.970 . 4.970 4.637 4.208 4.982 0.012 7 0 "[ . 1 . 2]" 1
972 1 140 ALA MB 1 144 ARG HG3 4.450 . 4.450 4.070 3.643 4.420 . 0 0 "[ . 1 . 2]" 1
973 1 137 GLU HA 1 140 ALA MB 3.560 . 3.560 2.651 2.370 2.952 . 0 0 "[ . 1 . 2]" 1
974 1 140 ALA MB 1 141 TYR HD1 4.850 . 4.850 4.316 4.089 4.571 . 0 0 "[ . 1 . 2]" 1
975 1 65 TYR HE2 1 66 TYR HB2 4.720 . 4.720 4.662 4.044 4.736 0.016 8 0 "[ . 1 . 2]" 1
976 1 141 TYR HD1 1 142 TYR HB2 4.660 . 4.660 4.267 4.101 4.550 . 0 0 "[ . 1 . 2]" 1
977 1 66 TYR HB2 1 121 MET HG2 4.980 . 4.980 4.712 4.249 4.981 0.001 17 0 "[ . 1 . 2]" 1
978 1 124 ARG HD2 1 128 GLN QG 5.880 . 5.880 4.777 4.435 5.109 . 0 0 "[ . 1 . 2]" 1
979 1 144 ARG HA 1 144 ARG HD2 4.220 . 4.220 2.519 2.082 3.213 . 0 0 "[ . 1 . 2]" 1
980 1 54 ILE MD 1 54 ILE MG 2.900 . 2.900 2.153 2.121 2.179 . 0 0 "[ . 1 . 2]" 1
981 1 54 ILE HG13 1 54 ILE MG 3.290 . 3.290 2.340 2.286 2.384 . 0 0 "[ . 1 . 2]" 1
982 1 54 ILE MG 1 67 ARG HD2 4.420 . 4.420 3.650 3.220 4.276 . 0 0 "[ . 1 . 2]" 1
983 1 54 ILE MG 1 67 ARG HA 5.270 . 5.270 4.537 3.911 5.144 . 0 0 "[ . 1 . 2]" 1
984 1 54 ILE HA 1 54 ILE MG 3.300 . 3.300 2.336 2.275 2.379 . 0 0 "[ . 1 . 2]" 1
985 1 110 LYS HB3 1 111 GLY HA3 4.850 . 4.850 4.668 4.643 4.704 . 0 0 "[ . 1 . 2]" 1
986 1 54 ILE MG 1 67 ARG HG3 4.560 . 4.560 3.168 2.757 3.645 . 0 0 "[ . 1 . 2]" 1
987 1 65 TYR HA 1 69 ASN HB2 5.560 . 5.560 4.756 4.605 4.908 . 0 0 "[ . 1 . 2]" 1
988 1 64 ARG HG3 1 65 TYR HA 4.120 . 4.120 3.834 3.468 4.120 . 0 0 "[ . 1 . 2]" 1
989 1 66 TYR HA 1 69 ASN HB2 4.400 . 4.400 2.911 2.735 3.226 . 0 0 "[ . 1 . 2]" 1
990 1 66 TYR HA 1 121 MET ME 4.470 . 4.470 3.753 3.661 3.890 . 0 0 "[ . 1 . 2]" 1
991 1 66 TYR HE2 1 67 ARG HA 4.730 . 4.730 4.144 3.846 4.334 . 0 0 "[ . 1 . 2]" 1
992 1 60 ASP HA 1 64 ARG H 4.880 . 4.880 3.678 3.536 3.928 . 0 0 "[ . 1 . 2]" 1
993 1 61 TYR HA 1 64 ARG H 4.460 . 4.460 3.898 3.725 4.061 . 0 0 "[ . 1 . 2]" 1
994 1 64 ARG H 1 64 ARG HG3 4.160 . 4.160 2.642 2.325 2.966 . 0 0 "[ . 1 . 2]" 1
995 1 64 ARG H 1 64 ARG HG2 3.970 . 3.970 3.218 2.802 3.457 . 0 0 "[ . 1 . 2]" 1
996 1 64 ARG H 1 64 ARG HB3 3.300 . 3.300 2.491 2.375 2.577 . 0 0 "[ . 1 . 2]" 1
997 1 64 ARG H 1 66 TYR H 5.490 . 5.490 4.423 4.276 4.510 . 0 0 "[ . 1 . 2]" 1
998 1 100 ILE MD 1 123 GLU H 4.510 . 4.510 3.308 3.195 3.433 . 0 0 "[ . 1 . 2]" 1
999 1 100 ILE MG 1 123 GLU H 5.420 . 5.420 5.437 5.250 5.588 0.168 4 0 "[ . 1 . 2]" 1
1000 1 123 GLU H 1 123 GLU HB3 3.750 . 3.750 2.332 2.047 2.410 . 0 0 "[ . 1 . 2]" 1
1001 1 3 MET HA 1 4 ASP H 3.570 . 3.570 2.326 2.134 3.048 . 0 0 "[ . 1 . 2]" 1
1002 1 32 ALA HA 1 33 ALA H 2.930 . 2.930 2.330 2.141 2.834 . 0 0 "[ . 1 . 2]" 1
1003 1 31 ALA HA 1 32 ALA H 3.700 . 3.700 2.593 2.133 3.551 . 0 0 "[ . 1 . 2]" 1
1004 1 4 ASP H 1 4 ASP HB2 4.310 . 4.310 2.898 2.328 3.770 . 0 0 "[ . 1 . 2]" 1
1005 1 4 ASP H 1 4 ASP HB3 4.310 . 4.310 3.301 2.680 3.721 . 0 0 "[ . 1 . 2]" 1
1006 1 5 PRO HA 1 6 GLY H 3.820 . 3.820 2.278 2.188 2.394 . 0 0 "[ . 1 . 2]" 1
1007 1 5 PRO HG2 1 6 GLY H 4.950 . 4.950 4.645 4.355 4.953 0.003 19 0 "[ . 1 . 2]" 1
1008 1 5 PRO HB2 1 7 GLN H 6.000 . 6.000 5.251 2.972 6.700 0.700 8 1 "[ . + 1 . 2]" 1
1009 1 7 GLN H 1 8 GLY H 4.700 . 4.700 4.402 3.831 4.679 . 0 0 "[ . 1 . 2]" 1
1010 1 11 THR H 1 11 THR HB 4.260 . 4.260 3.341 2.571 3.937 . 0 0 "[ . 1 . 2]" 1
1011 1 10 GLY HA2 1 11 THR H 3.740 . 3.740 2.630 2.235 3.504 . 0 0 "[ . 1 . 2]" 1
1012 1 11 THR H 1 11 THR MG 4.470 . 4.470 3.037 2.104 3.971 . 0 0 "[ . 1 . 2]" 1
1013 1 146 SER HA 1 147 SER H 4.020 . 4.020 2.586 2.261 3.407 . 0 0 "[ . 1 . 2]" 1
1014 1 146 SER H 1 146 SER HB2 4.000 . 4.000 2.883 2.422 3.967 . 0 0 "[ . 1 . 2]" 1
1015 1 146 SER H 1 146 SER HB3 4.000 . 4.000 3.336 2.407 4.019 0.019 10 0 "[ . 1 . 2]" 1
1016 1 144 ARG HB2 1 145 GLY H 3.930 . 3.930 3.199 2.925 3.749 . 0 0 "[ . 1 . 2]" 1
1017 1 144 ARG HG2 1 145 GLY H 4.820 . 4.820 4.664 4.430 4.983 0.163 19 0 "[ . 1 . 2]" 1
1018 1 144 ARG H 1 145 GLY H 3.640 . 3.640 2.425 2.246 2.778 . 0 0 "[ . 1 . 2]" 1
1019 1 143 GLN HG3 1 144 ARG H 4.990 . 4.990 4.959 4.882 4.996 0.006 19 0 "[ . 1 . 2]" 1
1020 1 143 GLN HB2 1 144 ARG H 4.310 . 4.310 3.938 3.891 3.995 . 0 0 "[ . 1 . 2]" 1
1021 1 144 ARG H 1 144 ARG HB2 3.420 . 3.420 2.405 2.241 2.608 . 0 0 "[ . 1 . 2]" 1
1022 1 144 ARG H 1 144 ARG HG2 3.750 . 3.750 2.634 2.456 2.842 . 0 0 "[ . 1 . 2]" 1
1023 1 139 GLN HB3 1 139 GLN HE22 5.280 . 5.280 4.070 3.623 4.678 . 0 0 "[ . 1 . 2]" 1
1024 1 143 GLN HB3 1 143 GLN HE22 5.460 . 5.460 3.691 3.498 4.106 . 0 0 "[ . 1 . 2]" 1
1025 1 143 GLN HB2 1 143 GLN HE22 4.860 . 4.860 3.720 3.517 4.357 . 0 0 "[ . 1 . 2]" 1
1026 1 140 ALA HA 1 143 GLN HE22 6.000 . 6.000 4.546 3.877 5.203 . 0 0 "[ . 1 . 2]" 1
1027 1 97 ASN HA 1 97 ASN HD22 4.870 . 4.870 3.400 3.343 3.465 . 0 0 "[ . 1 . 2]" 1
1028 1 97 ASN HB3 1 97 ASN HD22 4.270 . 4.270 4.052 3.824 4.122 . 0 0 "[ . 1 . 2]" 1
1029 1 97 ASN HD22 1 100 ILE MG 5.470 . 5.470 2.950 2.778 3.209 . 0 0 "[ . 1 . 2]" 1
1030 1 97 ASN HD22 1 98 ILE MD 6.000 . 6.000 5.696 5.331 6.009 0.009 17 0 "[ . 1 . 2]" 1
1031 1 142 TYR HD2 1 143 GLN H 4.860 . 4.860 3.223 2.874 3.616 . 0 0 "[ . 1 . 2]" 1
1032 1 140 ALA H 1 143 GLN H 5.340 . 5.340 4.714 4.654 4.776 . 0 0 "[ . 1 . 2]" 1
1033 1 142 TYR HB2 1 143 GLN H 4.560 . 4.560 3.922 3.853 4.048 . 0 0 "[ . 1 . 2]" 1
1034 1 142 TYR HB3 1 143 GLN H 4.060 . 4.060 2.549 2.432 2.720 . 0 0 "[ . 1 . 2]" 1
1035 1 139 GLN HG2 1 143 GLN H 4.500 . 4.500 4.200 4.041 4.534 0.034 8 0 "[ . 1 . 2]" 1
1036 1 143 GLN H 1 143 GLN HB2 3.360 . 3.360 2.418 2.358 2.472 . 0 0 "[ . 1 . 2]" 1
1037 1 140 ALA MB 1 143 GLN H 5.680 . 5.680 4.688 4.589 4.803 . 0 0 "[ . 1 . 2]" 1
1038 1 142 TYR H 1 142 TYR HB3 3.590 . 3.590 2.325 2.190 2.408 . 0 0 "[ . 1 . 2]" 1
1039 1 142 TYR H 1 142 TYR HB2 3.740 . 3.740 2.666 2.537 2.846 . 0 0 "[ . 1 . 2]" 1
1040 1 66 TYR HB3 1 67 ARG H 4.450 . 4.450 2.794 2.580 2.902 . 0 0 "[ . 1 . 2]" 1
1041 1 139 GLN HG2 1 142 TYR H 5.620 . 5.620 5.436 5.281 5.667 0.047 4 0 "[ . 1 . 2]" 1
1042 1 140 ALA MB 1 142 TYR H 5.200 . 5.200 4.324 4.294 4.382 . 0 0 "[ . 1 . 2]" 1
1043 1 139 GLN HA 1 142 TYR H 4.530 . 4.530 3.607 3.515 3.729 . 0 0 "[ . 1 . 2]" 1
1044 1 142 TYR H 1 142 TYR HD2 5.080 . 5.080 4.510 4.230 4.664 . 0 0 "[ . 1 . 2]" 1
1045 1 139 GLN HB3 1 140 ALA H 3.760 . 3.760 2.772 2.695 2.850 . 0 0 "[ . 1 . 2]" 1
1046 1 140 ALA H 1 140 ALA MB 3.430 . 3.430 2.245 2.229 2.264 . 0 0 "[ . 1 . 2]" 1
1047 1 139 GLN HG2 1 140 ALA H 5.090 . 5.090 4.176 3.991 4.318 . 0 0 "[ . 1 . 2]" 1
1048 1 139 GLN HG3 1 140 ALA H 5.380 . 5.380 5.035 4.827 5.129 . 0 0 "[ . 1 . 2]" 1
1049 1 136 ARG HA 1 140 ALA H 5.220 . 5.220 4.768 4.563 5.176 . 0 0 "[ . 1 . 2]" 1
1050 1 137 GLU H 1 140 ALA H 5.490 . 5.490 4.475 4.284 4.643 . 0 0 "[ . 1 . 2]" 1
1051 1 138 SER H 1 140 ALA H 5.820 . 5.820 3.991 3.829 4.108 . 0 0 "[ . 1 . 2]" 1
1052 1 143 GLN HB2 1 143 GLN HE21 4.800 . 4.800 2.476 1.862 3.774 . 0 0 "[ . 1 . 2]" 1
1053 1 139 GLN H 1 139 GLN HB2 3.980 . 3.980 2.420 2.353 2.539 . 0 0 "[ . 1 . 2]" 1
1054 1 139 GLN H 1 139 GLN HB3 4.090 . 4.090 2.596 2.452 2.668 . 0 0 "[ . 1 . 2]" 1
1055 1 139 GLN H 1 139 GLN HG2 5.040 . 5.040 4.516 4.466 4.541 . 0 0 "[ . 1 . 2]" 1
1056 1 138 SER HB3 1 139 GLN H 5.480 . 5.480 3.048 2.460 4.038 . 0 0 "[ . 1 . 2]" 1
1057 1 138 SER HB2 1 139 GLN H 5.480 . 5.480 3.629 2.471 4.258 . 0 0 "[ . 1 . 2]" 1
1058 1 111 GLY HA2 1 112 GLU H 3.710 . 3.710 2.921 2.749 3.101 . 0 0 "[ . 1 . 2]" 1
1059 1 138 SER H 1 139 GLN H 3.930 . 3.930 2.739 2.519 2.923 . 0 0 "[ . 1 . 2]" 1
1060 1 74 PRO HB3 1 75 ASN H 4.650 . 4.650 3.783 3.640 3.925 . 0 0 "[ . 1 . 2]" 1
1061 1 75 ASN H 1 76 GLN HG2 4.990 . 4.990 3.738 3.378 3.948 . 0 0 "[ . 1 . 2]" 1
1062 1 82 MET ME 1 138 SER H 4.440 . 4.440 4.125 3.517 4.461 0.021 3 0 "[ . 1 . 2]" 1
1063 1 136 ARG H 1 138 SER H 5.230 . 5.230 4.295 4.102 4.544 . 0 0 "[ . 1 . 2]" 1
1064 1 135 GLU H 1 138 SER H 5.620 . 5.620 4.932 4.632 5.058 . 0 0 "[ . 1 . 2]" 1
1065 1 136 ARG H 1 137 GLU H 4.450 . 4.450 2.710 2.615 2.837 . 0 0 "[ . 1 . 2]" 1
1066 1 112 GLU HG2 1 113 ASN H 4.190 . 4.190 3.418 2.274 3.642 . 0 0 "[ . 1 . 2]" 1
1067 1 112 GLU HB3 1 113 ASN H 3.330 . 3.330 3.039 2.809 3.237 . 0 0 "[ . 1 . 2]" 1
1068 1 113 ASN H 1 113 ASN HB2 3.410 . 3.410 2.938 2.661 2.985 . 0 0 "[ . 1 . 2]" 1
1069 1 133 GLN HA 1 136 ARG H 5.190 . 5.190 3.239 3.069 3.362 . 0 0 "[ . 1 . 2]" 1
1070 1 135 GLU HB2 1 136 ARG H 4.850 . 4.850 2.738 2.524 3.025 . 0 0 "[ . 1 . 2]" 1
1071 1 136 ARG H 1 136 ARG HB2 4.360 . 4.360 2.477 2.290 2.634 . 0 0 "[ . 1 . 2]" 1
1072 1 136 ARG H 1 136 ARG HG2 5.680 . 5.680 4.331 3.668 4.530 . 0 0 "[ . 1 . 2]" 1
1073 1 135 GLU H 1 136 ARG H 4.310 . 4.310 2.559 2.396 2.747 . 0 0 "[ . 1 . 2]" 1
1074 1 132 THR HA 1 135 GLU H 4.520 . 4.520 3.466 3.302 3.627 . 0 0 "[ . 1 . 2]" 1
1075 1 131 ILE HA 1 135 GLU H 5.520 . 5.520 4.332 4.008 4.644 . 0 0 "[ . 1 . 2]" 1
1076 1 134 TYR HB2 1 135 GLU H 4.890 . 4.890 3.828 3.739 3.927 . 0 0 "[ . 1 . 2]" 1
1077 1 134 TYR HB3 1 135 GLU H 4.810 . 4.810 2.480 2.397 2.561 . 0 0 "[ . 1 . 2]" 1
1078 1 135 GLU H 1 135 GLU HG2 3.740 . 3.740 2.599 2.016 3.212 . 0 0 "[ . 1 . 2]" 1
1079 1 135 GLU H 1 135 GLU HB3 4.380 . 4.380 3.593 3.554 3.649 . 0 0 "[ . 1 . 2]" 1
1080 1 135 GLU H 1 136 ARG HB2 4.900 . 4.900 4.819 4.654 5.043 0.143 5 0 "[ . 1 . 2]" 1
1081 1 131 ILE MG 1 135 GLU H 5.530 . 5.530 3.972 3.674 4.270 . 0 0 "[ . 1 . 2]" 1
1082 1 134 TYR H 1 135 GLU H 4.200 . 4.200 2.618 2.523 2.692 . 0 0 "[ . 1 . 2]" 1
1083 1 131 ILE HA 1 134 TYR H 4.990 . 4.990 3.343 3.241 3.517 . 0 0 "[ . 1 . 2]" 1
1084 1 133 GLN HG2 1 134 TYR H 5.200 . 5.200 3.617 3.368 3.839 . 0 0 "[ . 1 . 2]" 1
1085 1 133 GLN QB 1 134 TYR H 4.900 . 4.900 3.737 3.684 3.761 . 0 0 "[ . 1 . 2]" 1
1086 1 130 CYS HA 1 133 GLN QE . . 5.830 4.797 4.465 5.109 . 0 0 "[ . 1 . 2]" 1
1087 1 133 GLN QE 1 137 GLU HA 6.000 . 6.000 6.129 5.709 6.520 0.520 11 2 "[ . -+ . 2]" 1
1088 1 131 ILE MD 1 132 THR H 4.760 . 4.760 4.629 4.521 4.705 . 0 0 "[ . 1 . 2]" 1
1089 1 132 THR H 1 132 THR MG 4.310 . 4.310 2.300 2.229 2.362 . 0 0 "[ . 1 . 2]" 1
1090 1 131 ILE HB 1 132 THR H 3.900 . 3.900 2.704 2.628 2.790 . 0 0 "[ . 1 . 2]" 1
1091 1 128 GLN HB2 1 132 THR H 5.000 . 5.000 4.370 4.225 4.475 . 0 0 "[ . 1 . 2]" 1
1092 1 132 THR H 1 132 THR HB 3.900 . 3.900 2.565 2.497 2.624 . 0 0 "[ . 1 . 2]" 1
1093 1 129 MET HA 1 132 THR H 4.690 . 4.690 3.701 3.523 3.813 . 0 0 "[ . 1 . 2]" 1
1094 1 132 THR H 1 133 GLN H 4.140 . 4.140 2.799 2.744 2.887 . 0 0 "[ . 1 . 2]" 1
1095 1 130 CYS H 1 131 ILE H 4.430 . 4.430 2.411 2.221 2.594 . 0 0 "[ . 1 . 2]" 1
1096 1 131 ILE H 1 132 THR H 3.940 . 3.940 2.758 2.719 2.797 . 0 0 "[ . 1 . 2]" 1
1097 1 131 ILE H 1 131 ILE HB 3.780 . 3.780 2.518 2.499 2.568 . 0 0 "[ . 1 . 2]" 1
1098 1 128 GLN HB2 1 131 ILE H 5.680 . 5.680 5.161 5.055 5.252 . 0 0 "[ . 1 . 2]" 1
1099 1 131 ILE H 1 131 ILE HG13 4.350 . 4.350 2.230 2.195 2.290 . 0 0 "[ . 1 . 2]" 1
1100 1 131 ILE H 1 131 ILE MD 3.830 . 3.830 3.512 3.467 3.565 . 0 0 "[ . 1 . 2]" 1
1101 1 130 CYS H 1 131 ILE HB 5.260 . 5.260 4.665 4.436 4.932 . 0 0 "[ . 1 . 2]" 1
1102 1 128 GLN QG 1 130 CYS H 5.410 . 5.410 5.069 4.883 5.300 . 0 0 "[ . 1 . 2]" 1
1103 1 128 GLN HA 1 130 CYS H 4.830 . 4.830 4.343 4.077 4.594 . 0 0 "[ . 1 . 2]" 1
1104 1 128 GLN H 1 130 CYS H 5.040 . 5.040 4.687 4.524 4.859 . 0 0 "[ . 1 . 2]" 1
1105 1 129 MET H 1 130 CYS H 3.920 . 3.920 2.697 2.618 2.759 . 0 0 "[ . 1 . 2]" 1
1106 1 130 CYS H 1 132 THR H 4.870 . 4.870 4.171 3.943 4.374 . 0 0 "[ . 1 . 2]" 1
1107 1 116 GLU HA 1 119 VAL H 4.730 . 4.730 3.478 3.426 3.540 . 0 0 "[ . 1 . 2]" 1
1108 1 126 ILE HA 1 129 MET H 4.940 . 4.940 3.190 3.088 3.411 . 0 0 "[ . 1 . 2]" 1
1109 1 128 GLN QG 1 129 MET H 4.470 . 4.470 2.600 2.394 2.830 . 0 0 "[ . 1 . 2]" 1
1110 1 129 MET H 1 132 THR MG 4.750 . 4.750 4.490 4.400 4.572 . 0 0 "[ . 1 . 2]" 1
1111 1 119 VAL H 1 119 VAL MG2 3.350 . 3.350 2.080 2.068 2.101 . 0 0 "[ . 1 . 2]" 1
1112 1 115 THR H 1 119 VAL H 4.970 . 4.970 4.218 4.042 4.364 . 0 0 "[ . 1 . 2]" 1
1113 1 55 ILE MD 1 128 GLN HE21 5.390 . 5.390 4.515 3.702 4.999 . 0 0 "[ . 1 . 2]" 1
1114 1 128 GLN HE21 1 129 MET HB3 4.550 . 4.550 4.142 3.947 4.462 . 0 0 "[ . 1 . 2]" 1
1115 1 128 GLN HB2 1 128 GLN HE21 4.550 . 4.550 3.916 3.348 4.301 . 0 0 "[ . 1 . 2]" 1
1116 1 53 PRO HD3 1 128 GLN HE21 5.290 . 5.290 4.095 3.389 4.684 . 0 0 "[ . 1 . 2]" 1
1117 1 53 PRO HD3 1 128 GLN HE22 5.210 . 5.210 4.099 3.255 4.655 . 0 0 "[ . 1 . 2]" 1
1118 1 128 GLN HE22 1 129 MET QG 4.290 . 4.290 3.763 3.067 4.597 0.307 6 0 "[ . 1 . 2]" 1
1119 1 53 PRO HG3 1 128 GLN HE22 4.430 . 4.430 2.857 2.273 3.257 . 0 0 "[ . 1 . 2]" 1
1120 1 55 ILE MD 1 128 GLN HE22 5.140 . 5.140 4.644 4.110 5.079 . 0 0 "[ . 1 . 2]" 1
1121 1 124 ARG HA 1 128 GLN H 5.270 . 5.270 4.371 4.160 4.577 . 0 0 "[ . 1 . 2]" 1
1122 1 128 GLN H 1 128 GLN QG 3.980 . 3.980 2.278 2.096 2.420 . 0 0 "[ . 1 . 2]" 1
1123 1 128 GLN H 1 128 GLN HB3 3.470 . 3.470 2.491 2.434 2.553 . 0 0 "[ . 1 . 2]" 1
1124 1 126 ILE MG 1 128 GLN H 6.000 . 6.000 5.809 5.743 5.885 . 0 0 "[ . 1 . 2]" 1
1125 1 128 GLN H 1 131 ILE HG13 6.000 . 6.000 5.208 5.070 5.305 . 0 0 "[ . 1 . 2]" 1
1126 1 128 GLN H 1 131 ILE MD 4.810 . 4.810 3.913 3.856 3.977 . 0 0 "[ . 1 . 2]" 1
1127 1 55 ILE MD 1 128 GLN H 5.730 . 5.730 4.819 4.614 4.948 . 0 0 "[ . 1 . 2]" 1
1128 1 128 GLN H 1 129 MET H 4.190 . 4.190 2.719 2.654 2.783 . 0 0 "[ . 1 . 2]" 1
1129 1 127 GLU H 1 128 GLN H 4.260 . 4.260 2.793 2.747 2.851 . 0 0 "[ . 1 . 2]" 1
1130 1 128 GLN H 1 128 GLN HE22 6.000 . 6.000 5.574 5.235 5.867 . 0 0 "[ . 1 . 2]" 1
1131 1 126 ILE H 1 128 GLN H 5.720 . 5.720 4.628 4.469 4.799 . 0 0 "[ . 1 . 2]" 1
1132 1 126 ILE H 1 127 GLU H 4.430 . 4.430 2.401 2.318 2.491 . 0 0 "[ . 1 . 2]" 1
1133 1 125 VAL H 1 127 GLU H 4.900 . 4.900 3.820 3.768 3.902 . 0 0 "[ . 1 . 2]" 1
1134 1 124 ARG HA 1 127 GLU H 5.180 . 5.180 3.051 2.934 3.187 . 0 0 "[ . 1 . 2]" 1
1135 1 127 GLU H 1 127 GLU HG2 4.780 . 4.780 4.507 4.467 4.545 . 0 0 "[ . 1 . 2]" 1
1136 1 127 GLU H 1 127 GLU HG3 4.780 . 4.780 4.403 4.322 4.474 . 0 0 "[ . 1 . 2]" 1
1137 1 126 ILE MD 1 127 GLU H 5.380 . 5.380 4.281 4.226 4.331 . 0 0 "[ . 1 . 2]" 1
1138 1 126 ILE H 1 126 ILE HB 4.180 . 4.180 3.717 3.695 3.741 . 0 0 "[ . 1 . 2]" 1
1139 1 126 ILE H 1 126 ILE HG12 4.640 . 4.640 2.026 1.964 2.079 . 0 0 "[ . 1 . 2]" 1
1140 1 122 MET HA 1 126 ILE H 4.740 . 4.740 4.328 4.019 4.484 . 0 0 "[ . 1 . 2]" 1
1141 1 125 VAL H 1 126 ILE H 4.170 . 4.170 2.604 2.548 2.682 . 0 0 "[ . 1 . 2]" 1
1142 1 57 PHE QE 1 125 VAL H 5.340 . 5.340 4.452 4.285 4.582 . 0 0 "[ . 1 . 2]" 1
1143 1 122 MET HA 1 125 VAL H 4.520 . 4.520 3.435 3.141 3.608 . 0 0 "[ . 1 . 2]" 1
1144 1 124 ARG HB3 1 125 VAL H 3.890 . 3.890 2.932 2.839 3.061 . 0 0 "[ . 1 . 2]" 1
1145 1 124 ARG HB2 1 125 VAL H 3.970 . 3.970 3.536 3.434 3.596 . 0 0 "[ . 1 . 2]" 1
1146 1 125 VAL H 1 126 ILE HG12 4.880 . 4.880 4.046 3.934 4.110 . 0 0 "[ . 1 . 2]" 1
1147 1 55 ILE MD 1 125 VAL H 5.460 . 5.460 5.880 5.577 6.007 0.547 8 6 "[ *. +*1 - .* * 2]" 1
1148 1 124 ARG H 1 124 ARG HB3 3.760 . 3.760 3.035 2.921 3.100 . 0 0 "[ . 1 . 2]" 1
1149 1 124 ARG H 1 124 ARG HG3 5.140 . 5.140 4.425 4.282 4.492 . 0 0 "[ . 1 . 2]" 1
1150 1 124 ARG H 1 126 ILE HG12 5.450 . 5.450 4.402 4.317 4.504 . 0 0 "[ . 1 . 2]" 1
1151 1 124 ARG H 1 124 ARG HB2 3.670 . 3.670 2.121 2.040 2.167 . 0 0 "[ . 1 . 2]" 1
1152 1 123 GLU H 1 124 ARG H 4.010 . 4.010 2.603 2.487 2.754 . 0 0 "[ . 1 . 2]" 1
1153 1 124 ARG H 1 125 VAL H 3.890 . 3.890 2.601 2.465 2.686 . 0 0 "[ . 1 . 2]" 1
1154 1 124 ARG H 1 126 ILE H 5.130 . 5.130 4.099 4.029 4.168 . 0 0 "[ . 1 . 2]" 1
1155 1 121 MET H 1 123 GLU H 4.590 . 4.590 3.993 3.863 4.060 . 0 0 "[ . 1 . 2]" 1
1156 1 119 VAL HA 1 122 MET H 4.880 . 4.880 3.253 3.136 3.444 . 0 0 "[ . 1 . 2]" 1
1157 1 121 MET HG3 1 122 MET H 5.390 . 5.390 4.775 4.670 4.887 . 0 0 "[ . 1 . 2]" 1
1158 1 118 ASP HA 1 122 MET H 6.000 . 6.000 5.128 4.956 5.340 . 0 0 "[ . 1 . 2]" 1
1159 1 122 MET H 1 126 ILE MD 6.000 . 6.000 6.040 6.004 6.069 0.069 7 0 "[ . 1 . 2]" 1
1160 1 122 MET H 1 122 MET HG2 3.900 . 3.900 2.520 2.370 2.791 . 0 0 "[ . 1 . 2]" 1
1161 1 121 MET HB2 1 122 MET H 3.730 . 3.730 2.568 2.457 2.687 . 0 0 "[ . 1 . 2]" 1
1162 1 121 MET H 1 122 MET H 3.870 . 3.870 2.625 2.516 2.711 . 0 0 "[ . 1 . 2]" 1
1163 1 120 LYS H 1 122 MET H 5.110 . 5.110 4.406 4.333 4.527 . 0 0 "[ . 1 . 2]" 1
1164 1 122 MET H 1 124 ARG H 5.170 . 5.170 4.201 4.089 4.320 . 0 0 "[ . 1 . 2]" 1
1165 1 121 MET H 1 124 ARG H 5.440 . 5.440 4.957 4.873 5.101 . 0 0 "[ . 1 . 2]" 1
1166 1 118 ASP H 1 121 MET H 5.620 . 5.620 5.024 4.952 5.092 . 0 0 "[ . 1 . 2]" 1
1167 1 57 PHE QE 1 121 MET H 5.570 . 5.570 5.235 4.788 5.745 0.175 19 0 "[ . 1 . 2]" 1
1168 1 121 MET H 1 121 MET HG3 4.220 . 4.220 3.576 3.526 3.661 . 0 0 "[ . 1 . 2]" 1
1169 1 121 MET H 1 121 MET HB3 4.300 . 4.300 3.654 3.642 3.667 . 0 0 "[ . 1 . 2]" 1
1170 1 121 MET H 1 122 MET HG2 4.810 . 4.810 4.573 4.370 4.811 0.001 9 0 "[ . 1 . 2]" 1
1171 1 119 VAL H 1 120 LYS H 3.720 . 3.720 2.604 2.574 2.639 . 0 0 "[ . 1 . 2]" 1
1172 1 117 THR HA 1 120 LYS H 4.610 . 4.610 4.038 3.912 4.173 . 0 0 "[ . 1 . 2]" 1
1173 1 62 GLU H 1 62 GLU QB 3.500 . 3.500 2.030 2.002 2.082 . 0 0 "[ . 1 . 2]" 1
1174 1 120 LYS H 1 120 LYS HB3 3.830 . 3.830 2.632 2.524 2.709 . 0 0 "[ . 1 . 2]" 1
1175 1 119 VAL HB 1 120 LYS H 4.360 . 4.360 4.010 3.932 4.081 . 0 0 "[ . 1 . 2]" 1
1176 1 120 LYS H 1 120 LYS HG2 4.220 . 4.220 3.081 2.762 3.264 . 0 0 "[ . 1 . 2]" 1
1177 1 117 THR MG 1 120 LYS H 5.540 . 5.540 5.291 5.195 5.382 . 0 0 "[ . 1 . 2]" 1
1178 1 117 THR MG 1 118 ASP H 4.300 . 4.300 3.952 3.821 4.060 . 0 0 "[ . 1 . 2]" 1
1179 1 118 ASP H 1 119 VAL MG2 4.650 . 4.650 3.786 3.727 3.854 . 0 0 "[ . 1 . 2]" 1
1180 1 118 ASP H 1 118 ASP HB3 4.340 . 4.340 3.624 3.612 3.633 . 0 0 "[ . 1 . 2]" 1
1181 1 114 PHE HB3 1 118 ASP H 5.530 . 5.530 4.655 4.524 4.817 . 0 0 "[ . 1 . 2]" 1
1182 1 118 ASP H 1 118 ASP HB2 4.040 . 4.040 2.522 2.504 2.551 . 0 0 "[ . 1 . 2]" 1
1183 1 117 THR HB 1 118 ASP H 3.920 . 3.920 2.837 2.693 2.911 . 0 0 "[ . 1 . 2]" 1
1184 1 114 PHE HA 1 118 ASP H 5.080 . 5.080 4.851 4.696 5.005 . 0 0 "[ . 1 . 2]" 1
1185 1 118 ASP H 1 120 LYS H 4.910 . 4.910 3.998 3.906 4.117 . 0 0 "[ . 1 . 2]" 1
1186 1 118 ASP H 1 119 VAL H 3.870 . 3.870 2.475 2.427 2.544 . 0 0 "[ . 1 . 2]" 1
1187 1 115 THR H 1 117 THR H 4.970 . 4.970 4.726 4.611 4.851 . 0 0 "[ . 1 . 2]" 1
1188 1 116 GLU H 1 117 THR H 3.800 . 3.800 2.764 2.704 2.819 . 0 0 "[ . 1 . 2]" 1
1189 1 117 THR H 1 118 ASP H 3.730 . 3.730 2.784 2.716 2.827 . 0 0 "[ . 1 . 2]" 1
1190 1 115 THR HB 1 117 THR H 4.910 . 4.910 4.769 4.694 4.841 . 0 0 "[ . 1 . 2]" 1
1191 1 115 THR HA 1 117 THR H 4.770 . 4.770 4.699 4.619 4.769 . 0 0 "[ . 1 . 2]" 1
1192 1 117 THR H 1 117 THR HB 3.520 . 3.520 2.753 2.684 2.841 . 0 0 "[ . 1 . 2]" 1
1193 1 117 THR H 1 118 ASP HB2 5.360 . 5.360 5.144 5.085 5.193 . 0 0 "[ . 1 . 2]" 1
1194 1 116 GLU HG2 1 117 THR H 4.950 . 4.950 3.866 3.743 3.937 . 0 0 "[ . 1 . 2]" 1
1195 1 116 GLU HB3 1 117 THR H 3.680 . 3.680 2.493 2.415 2.537 . 0 0 "[ . 1 . 2]" 1
1196 1 115 THR MG 1 117 THR H 4.260 . 4.260 2.107 2.039 2.182 . 0 0 "[ . 1 . 2]" 1
1197 1 117 THR H 1 117 THR MG 4.400 . 4.400 3.688 3.639 3.715 . 0 0 "[ . 1 . 2]" 1
1198 1 115 THR MG 1 116 GLU H 3.770 . 3.770 2.925 2.854 3.017 . 0 0 "[ . 1 . 2]" 1
1199 1 116 GLU H 1 116 GLU HB3 3.380 . 3.380 2.597 2.544 2.631 . 0 0 "[ . 1 . 2]" 1
1200 1 116 GLU H 1 117 THR HB 5.850 . 5.850 5.139 5.013 5.305 . 0 0 "[ . 1 . 2]" 1
1201 1 115 THR HA 1 116 GLU H 3.560 . 3.560 2.691 2.656 2.715 . 0 0 "[ . 1 . 2]" 1
1202 1 115 THR HB 1 116 GLU H 4.100 . 4.100 3.698 3.679 3.713 . 0 0 "[ . 1 . 2]" 1
1203 1 116 GLU H 1 118 ASP H 5.520 . 5.520 4.169 4.090 4.270 . 0 0 "[ . 1 . 2]" 1
1204 1 116 GLU H 1 119 VAL H 5.640 . 5.640 4.962 4.912 4.990 . 0 0 "[ . 1 . 2]" 1
1205 1 115 THR H 1 116 GLU H 4.930 . 4.930 4.454 4.410 4.501 . 0 0 "[ . 1 . 2]" 1
1206 1 115 THR H 1 118 ASP H 4.340 . 4.340 3.161 3.036 3.256 . 0 0 "[ . 1 . 2]" 1
1207 1 114 PHE HD2 1 115 THR H 5.140 . 5.140 4.676 4.440 4.843 . 0 0 "[ . 1 . 2]" 1
1208 1 114 PHE HA 1 115 THR H 3.720 . 3.720 2.161 2.125 2.183 . 0 0 "[ . 1 . 2]" 1
1209 1 115 THR H 1 115 THR MG 3.690 . 3.690 2.193 2.161 2.235 . 0 0 "[ . 1 . 2]" 1
1210 1 108 THR MG 1 115 THR H 5.480 . 5.480 5.255 5.064 5.563 0.083 4 0 "[ . 1 . 2]" 1
1211 1 115 THR H 1 119 VAL MG1 4.980 . 4.980 4.059 3.948 4.153 . 0 0 "[ . 1 . 2]" 1
1212 1 115 THR H 1 118 ASP HB2 4.190 . 4.190 2.485 2.388 2.587 . 0 0 "[ . 1 . 2]" 1
1213 1 114 PHE HB3 1 115 THR H 4.270 . 4.270 3.197 3.041 3.427 . 0 0 "[ . 1 . 2]" 1
1214 1 114 PHE HB2 1 115 THR H 4.910 . 4.910 4.313 4.224 4.431 . 0 0 "[ . 1 . 2]" 1
1215 1 115 THR H 1 118 ASP HB3 4.290 . 4.290 3.822 3.688 3.927 . 0 0 "[ . 1 . 2]" 1
1216 1 113 ASN HA 1 114 PHE H 3.480 . 3.480 2.485 2.317 2.575 . 0 0 "[ . 1 . 2]" 1
1217 1 107 THR HB 1 114 PHE H 5.550 . 5.550 4.097 3.688 4.683 . 0 0 "[ . 1 . 2]" 1
1218 1 112 GLU HA 1 114 PHE H 6.000 . 6.000 4.946 4.762 5.281 . 0 0 "[ . 1 . 2]" 1
1219 1 114 PHE H 1 118 ASP HB2 5.650 . 5.650 5.389 5.303 5.503 . 0 0 "[ . 1 . 2]" 1
1220 1 114 PHE H 1 114 PHE HB3 4.200 . 4.200 3.474 3.454 3.504 . 0 0 "[ . 1 . 2]" 1
1221 1 114 PHE H 1 114 PHE HB2 3.580 . 3.580 2.169 2.150 2.200 . 0 0 "[ . 1 . 2]" 1
1222 1 108 THR MG 1 114 PHE H 4.470 . 4.470 1.987 1.838 2.125 . 0 0 "[ . 1 . 2]" 1
1223 1 114 PHE H 1 114 PHE HD1 4.170 . 4.170 2.709 2.637 2.796 . 0 0 "[ . 1 . 2]" 1
1224 1 114 PHE H 1 114 PHE HE1 5.170 . 5.170 5.149 5.028 5.251 0.081 10 0 "[ . 1 . 2]" 1
1225 1 114 PHE H 1 115 THR H 5.180 . 5.180 4.580 4.528 4.601 . 0 0 "[ . 1 . 2]" 1
1226 1 113 ASN HB2 1 113 ASN HD22 4.170 . 4.170 3.607 3.576 3.679 . 0 0 "[ . 1 . 2]" 1
1227 1 112 GLU HA 1 113 ASN HD21 5.310 . 5.310 5.234 4.483 5.323 0.013 10 0 "[ . 1 . 2]" 1
1228 1 112 GLU HB3 1 113 ASN HD21 5.920 . 5.920 5.565 5.156 5.613 . 0 0 "[ . 1 . 2]" 1
1229 1 108 THR MG 1 113 ASN HD21 5.340 . 5.340 3.654 3.324 4.214 . 0 0 "[ . 1 . 2]" 1
1230 1 113 ASN HD21 1 114 PHE H 5.460 . 5.460 4.526 4.306 4.623 . 0 0 "[ . 1 . 2]" 1
1231 1 113 ASN H 1 113 ASN HD21 4.920 . 4.920 4.388 3.927 4.453 . 0 0 "[ . 1 . 2]" 1
1232 1 137 GLU H 1 139 GLN H 4.300 . 4.300 3.984 3.762 4.226 . 0 0 "[ . 1 . 2]" 1
1233 1 113 ASN H 1 113 ASN HD22 6.000 . 6.000 5.810 5.484 5.853 . 0 0 "[ . 1 . 2]" 1
1234 1 26 LYS HA 1 27 HIS H 3.050 . 3.050 2.463 2.267 3.315 0.265 16 0 "[ . 1 . 2]" 1
1235 1 108 THR HA 1 113 ASN H 5.130 . 5.130 4.494 4.354 4.614 . 0 0 "[ . 1 . 2]" 1
1236 1 136 ARG QD 1 137 GLU H 6.000 . 6.000 4.177 2.927 4.732 . 0 0 "[ . 1 . 2]" 1
1237 1 26 LYS HG2 1 27 HIS H 6.000 . 6.000 4.974 4.510 5.146 . 0 0 "[ . 1 . 2]" 1
1238 1 137 GLU H 1 140 ALA MB 6.000 . 6.000 4.546 4.292 4.866 . 0 0 "[ . 1 . 2]" 1
1239 1 108 THR MG 1 113 ASN H 5.370 . 5.370 4.028 3.899 4.191 . 0 0 "[ . 1 . 2]" 1
1240 1 108 THR HB 1 112 GLU H 4.640 . 4.640 4.424 4.275 4.448 . 0 0 "[ . 1 . 2]" 1
1241 1 110 LYS HB2 1 112 GLU H 5.890 . 5.890 4.369 3.785 4.782 . 0 0 "[ . 1 . 2]" 1
1242 1 112 GLU H 1 112 GLU HB2 3.500 . 3.500 2.668 2.399 2.923 . 0 0 "[ . 1 . 2]" 1
1243 1 108 THR MG 1 112 GLU H 4.800 . 4.800 4.197 4.132 4.369 . 0 0 "[ . 1 . 2]" 1
1244 1 112 GLU H 1 114 PHE H 5.640 . 5.640 5.239 5.103 5.436 . 0 0 "[ . 1 . 2]" 1
1245 1 110 LYS H 1 111 GLY H 3.460 . 3.460 2.326 2.260 2.406 . 0 0 "[ . 1 . 2]" 1
1246 1 111 GLY H 1 112 GLU H 3.490 . 3.490 2.162 2.092 2.233 . 0 0 "[ . 1 . 2]" 1
1247 1 108 THR HA 1 111 GLY H 3.870 . 3.870 3.636 3.472 3.832 . 0 0 "[ . 1 . 2]" 1
1248 1 110 LYS HB3 1 111 GLY H 4.230 . 4.230 4.232 4.205 4.246 0.016 18 0 "[ . 1 . 2]" 1
1249 1 110 LYS HB2 1 111 GLY H 4.310 . 4.310 3.705 3.667 3.756 . 0 0 "[ . 1 . 2]" 1
1250 1 109 THR MG 1 111 GLY H 4.780 . 4.780 4.614 4.577 4.652 . 0 0 "[ . 1 . 2]" 1
1251 1 110 LYS HG2 1 111 GLY H 5.310 . 5.310 4.913 4.826 4.978 . 0 0 "[ . 1 . 2]" 1
1252 1 110 LYS H 1 110 LYS HB3 4.220 . 4.220 3.651 3.614 3.683 . 0 0 "[ . 1 . 2]" 1
1253 1 110 LYS H 1 110 LYS HB2 3.830 . 3.830 2.421 2.356 2.465 . 0 0 "[ . 1 . 2]" 1
1254 1 110 LYS H 1 110 LYS HD3 5.360 . 5.360 4.579 4.132 4.774 . 0 0 "[ . 1 . 2]" 1
1255 1 110 LYS H 1 110 LYS HG2 3.990 . 3.990 3.056 2.919 3.127 . 0 0 "[ . 1 . 2]" 1
1256 1 109 THR MG 1 110 LYS H 4.300 . 4.300 2.925 2.863 2.954 . 0 0 "[ . 1 . 2]" 1
1257 1 105 VAL MG2 1 110 LYS H 5.740 . 5.740 5.708 5.634 5.751 0.011 18 0 "[ . 1 . 2]" 1
1258 1 110 LYS H 1 111 GLY HA3 5.610 . 5.610 4.946 4.888 5.000 . 0 0 "[ . 1 . 2]" 1
1259 1 109 THR H 1 110 LYS H 3.590 . 3.590 2.750 2.700 2.796 . 0 0 "[ . 1 . 2]" 1
1260 1 109 THR H 1 109 THR HB 3.270 . 3.270 2.452 2.401 2.479 . 0 0 "[ . 1 . 2]" 1
1261 1 109 THR H 1 110 LYS HB2 5.450 . 5.450 4.818 4.742 4.885 . 0 0 "[ . 1 . 2]" 1
1262 1 109 THR H 1 109 THR MG 3.450 . 3.450 2.395 2.362 2.449 . 0 0 "[ . 1 . 2]" 1
1263 1 105 VAL MG2 1 109 THR H 4.630 . 4.630 3.494 3.410 3.558 . 0 0 "[ . 1 . 2]" 1
1264 1 108 THR H 1 108 THR MG 3.490 . 3.490 2.160 2.112 2.234 . 0 0 "[ . 1 . 2]" 1
1265 1 105 VAL MG2 1 108 THR H 4.770 . 4.770 4.664 4.546 4.770 0.000 3 0 "[ . 1 . 2]" 1
1266 1 105 VAL HA 1 108 THR H 4.410 . 4.410 3.549 3.436 3.663 . 0 0 "[ . 1 . 2]" 1
1267 1 108 THR H 1 110 LYS H 4.600 . 4.600 4.162 4.094 4.207 . 0 0 "[ . 1 . 2]" 1
1268 1 108 THR H 1 109 THR H 3.630 . 3.630 2.830 2.713 2.884 . 0 0 "[ . 1 . 2]" 1
1269 1 108 THR H 1 112 GLU H 5.380 . 5.380 4.822 4.590 4.991 . 0 0 "[ . 1 . 2]" 1
1270 1 107 THR H 1 108 THR H 3.490 . 3.490 2.754 2.684 2.816 . 0 0 "[ . 1 . 2]" 1
1271 1 103 HIS HA 1 107 THR H 5.040 . 5.040 3.376 2.938 3.572 . 0 0 "[ . 1 . 2]" 1
1272 1 106 THR HB 1 107 THR H 3.990 . 3.990 2.828 2.771 2.912 . 0 0 "[ . 1 . 2]" 1
1273 1 107 THR H 1 107 THR HB 4.250 . 4.250 3.576 2.714 3.645 . 0 0 "[ . 1 . 2]" 1
1274 1 105 VAL HA 1 107 THR H 4.450 . 4.450 4.176 4.065 4.255 . 0 0 "[ . 1 . 2]" 1
1275 1 105 VAL HB 1 107 THR H 6.000 . 6.000 5.981 5.919 6.009 0.009 2 0 "[ . 1 . 2]" 1
1276 1 107 THR H 1 112 GLU HB2 6.000 . 6.000 6.039 5.578 6.679 0.679 6 1 "[ .+ 1 . 2]" 1
1277 1 106 THR MG 1 107 THR H 4.690 . 4.690 3.706 3.668 3.750 . 0 0 "[ . 1 . 2]" 1
1278 1 107 THR H 1 109 THR MG 5.010 . 5.010 4.403 4.348 4.444 . 0 0 "[ . 1 . 2]" 1
1279 1 106 THR H 1 106 THR MG 4.620 . 4.620 3.815 3.804 3.832 . 0 0 "[ . 1 . 2]" 1
1280 1 22 LYS HA 1 23 THR H 3.220 . 3.220 2.326 2.179 2.512 . 0 0 "[ . 1 . 2]" 1
1281 1 103 HIS HA 1 106 THR H 4.580 . 4.580 3.004 2.841 3.187 . 0 0 "[ . 1 . 2]" 1
1282 1 104 THR HB 1 105 VAL H 3.950 . 3.950 3.348 3.268 3.431 . 0 0 "[ . 1 . 2]" 1
1283 1 104 THR H 1 105 VAL H 3.680 . 3.680 2.862 2.809 2.905 . 0 0 "[ . 1 . 2]" 1
1284 1 105 VAL H 1 105 VAL HB 3.500 . 3.500 2.690 2.663 2.733 . 0 0 "[ . 1 . 2]" 1
1285 1 104 THR MG 1 105 VAL H 4.580 . 4.580 3.936 3.909 3.957 . 0 0 "[ . 1 . 2]" 1
1286 1 105 VAL H 1 105 VAL MG1 3.290 . 3.290 2.109 2.074 2.132 . 0 0 "[ . 1 . 2]" 1
1287 1 103 HIS HB3 1 104 THR H 4.340 . 4.340 3.664 3.431 3.871 . 0 0 "[ . 1 . 2]" 1
1288 1 103 HIS HB2 1 104 THR H 4.700 . 4.700 3.324 3.095 3.481 . 0 0 "[ . 1 . 2]" 1
1289 1 101 LYS HB3 1 104 THR H 6.000 . 6.000 6.008 5.985 6.025 0.025 1 0 "[ . 1 . 2]" 1
1290 1 104 THR H 1 104 THR MG 4.060 . 4.060 2.296 2.219 2.382 . 0 0 "[ . 1 . 2]" 1
1291 1 104 THR H 1 119 VAL MG1 5.490 . 5.490 4.618 4.419 4.813 . 0 0 "[ . 1 . 2]" 1
1292 1 101 LYS H 1 103 HIS H 5.150 . 5.150 4.105 4.035 4.219 . 0 0 "[ . 1 . 2]" 1
1293 1 99 THR HA 1 103 HIS H 5.300 . 5.300 4.610 4.412 5.057 . 0 0 "[ . 1 . 2]" 1
1294 1 100 ILE HA 1 103 HIS H 5.320 . 5.320 3.061 2.928 3.366 . 0 0 "[ . 1 . 2]" 1
1295 1 103 HIS H 1 103 HIS HB3 4.130 . 4.130 3.536 3.442 3.606 . 0 0 "[ . 1 . 2]" 1
1296 1 101 LYS HB3 1 103 HIS H 5.190 . 5.190 5.029 4.758 5.202 0.012 8 0 "[ . 1 . 2]" 1
1297 1 99 THR MG 1 103 HIS H 5.580 . 5.580 4.406 4.206 4.910 . 0 0 "[ . 1 . 2]" 1
1298 1 103 HIS H 1 104 THR MG 5.890 . 5.890 4.387 4.163 4.565 . 0 0 "[ . 1 . 2]" 1
1299 1 103 HIS H 1 106 THR MG 6.000 . 6.000 5.451 5.325 5.553 . 0 0 "[ . 1 . 2]" 1
1300 1 101 LYS H 1 101 LYS HB2 3.330 . 3.330 2.127 2.059 2.201 . 0 0 "[ . 1 . 2]" 1
1301 1 100 ILE MG 1 101 LYS H 3.980 . 3.980 2.491 2.419 2.586 . 0 0 "[ . 1 . 2]" 1
1302 1 100 ILE MD 1 101 LYS H 5.400 . 5.400 4.777 4.730 4.846 . 0 0 "[ . 1 . 2]" 1
1303 1 101 LYS H 1 101 LYS HG3 4.940 . 4.940 3.426 3.026 4.332 . 0 0 "[ . 1 . 2]" 1
1304 1 97 ASN HA 1 101 LYS H 5.180 . 5.180 3.912 3.809 3.985 . 0 0 "[ . 1 . 2]" 1
1305 1 100 ILE H 1 101 LYS H 4.010 . 4.010 2.633 2.586 2.674 . 0 0 "[ . 1 . 2]" 1
1306 1 96 VAL HA 1 99 THR H 4.890 . 4.890 3.680 3.372 3.869 . 0 0 "[ . 1 . 2]" 1
1307 1 79 TYR HB3 1 99 THR H 6.000 . 6.000 5.030 4.815 5.381 . 0 0 "[ . 1 . 2]" 1
1308 1 120 LYS HG3 1 121 MET H 3.950 . 3.950 2.463 2.228 2.751 . 0 0 "[ . 1 . 2]" 1
1309 1 99 THR H 1 126 ILE MG 5.940 . 5.940 5.928 5.748 6.031 0.091 14 0 "[ . 1 . 2]" 1
1310 1 99 THR H 1 126 ILE MD 5.010 . 5.010 3.770 3.630 3.943 . 0 0 "[ . 1 . 2]" 1
1311 1 98 ILE MG 1 99 THR H 4.360 . 4.360 3.442 3.346 3.507 . 0 0 "[ . 1 . 2]" 1
1312 1 99 THR H 1 99 THR HB 4.120 . 4.120 2.544 2.484 2.572 . 0 0 "[ . 1 . 2]" 1
1313 1 78 TYR H 1 99 THR H 4.810 . 4.810 3.951 3.870 4.042 . 0 0 "[ . 1 . 2]" 1
1314 1 94 ASP HA 1 98 ILE H 5.380 . 5.380 4.160 3.773 4.391 . 0 0 "[ . 1 . 2]" 1
1315 1 97 ASN HD21 1 98 ILE H 5.660 . 5.660 4.824 4.299 5.135 . 0 0 "[ . 1 . 2]" 1
1316 1 94 ASP HA 1 97 ASN HD21 5.650 . 5.650 5.711 5.446 5.922 0.272 17 0 "[ . 1 . 2]" 1
1317 1 97 ASN HD21 1 100 ILE MG 5.420 . 5.420 2.147 1.966 2.382 . 0 0 "[ . 1 . 2]" 1
1318 1 97 ASN HD21 1 98 ILE MD 5.700 . 5.700 5.398 4.489 5.757 0.057 1 0 "[ . 1 . 2]" 1
1319 1 96 VAL QG 1 97 ASN H 4.260 . 4.260 2.399 2.382 2.426 . 0 0 "[ . 1 . 2]" 1
1320 1 97 ASN H 1 97 ASN HB2 3.630 . 3.630 2.371 2.182 2.488 . 0 0 "[ . 1 . 2]" 1
1321 1 94 ASP HA 1 97 ASN H 4.460 . 4.460 3.216 3.080 3.439 . 0 0 "[ . 1 . 2]" 1
1322 1 97 ASN H 1 97 ASN HD21 5.350 . 5.350 4.363 4.294 4.533 . 0 0 "[ . 1 . 2]" 1
1323 1 95 CYS H 1 97 ASN H 4.940 . 4.940 4.051 3.978 4.140 . 0 0 "[ . 1 . 2]" 1
1324 1 97 ASN H 1 98 ILE H 4.270 . 4.270 2.627 2.498 2.716 . 0 0 "[ . 1 . 2]" 1
1325 1 96 VAL H 1 97 ASN H 4.130 . 4.130 2.500 2.450 2.562 . 0 0 "[ . 1 . 2]" 1
1326 1 93 HIS HA 1 96 VAL H 6.000 . 6.000 3.965 3.442 4.488 . 0 0 "[ . 1 . 2]" 1
1327 1 96 VAL H 1 97 ASN HA 6.000 . 6.000 5.116 5.071 5.172 . 0 0 "[ . 1 . 2]" 1
1328 1 95 CYS HB3 1 96 VAL H 4.840 . 4.840 2.681 2.531 2.916 . 0 0 "[ . 1 . 2]" 1
1329 1 79 TYR HB3 1 96 VAL H 5.200 . 5.200 5.034 4.768 5.299 0.099 11 0 "[ . 1 . 2]" 1
1330 1 96 VAL H 1 96 VAL QG 3.780 . 3.780 1.826 1.800 1.873 . 0 0 "[ . 1 . 2]" 1
1331 1 95 CYS H 1 96 VAL H 4.290 . 4.290 2.988 2.909 3.084 . 0 0 "[ . 1 . 2]" 1
1332 1 94 ASP H 1 95 CYS H 4.120 . 4.120 2.401 2.253 2.611 . 0 0 "[ . 1 . 2]" 1
1333 1 95 CYS H 1 95 CYS HB3 4.110 . 4.110 2.139 2.081 2.231 . 0 0 "[ . 1 . 2]" 1
1334 1 92 VAL HA 1 95 CYS H 4.710 . 4.710 3.333 3.208 3.457 . 0 0 "[ . 1 . 2]" 1
1335 1 95 CYS H 1 95 CYS HB2 3.730 . 3.730 2.861 2.715 3.001 . 0 0 "[ . 1 . 2]" 1
1336 1 93 HIS HB3 1 94 ASP H 4.470 . 4.470 2.877 2.529 3.320 . 0 0 "[ . 1 . 2]" 1
1337 1 92 VAL HB 1 93 HIS H 4.490 . 4.490 4.075 4.014 4.111 . 0 0 "[ . 1 . 2]" 1
1338 1 93 HIS H 1 93 HIS HB3 4.050 . 4.050 2.823 2.597 3.063 . 0 0 "[ . 1 . 2]" 1
1339 1 90 ASN HA 1 93 HIS H 4.400 . 4.400 3.697 3.422 3.842 . 0 0 "[ . 1 . 2]" 1
1340 1 93 HIS H 1 94 ASP H 4.080 . 4.080 2.493 2.414 2.650 . 0 0 "[ . 1 . 2]" 1
1341 1 92 VAL H 1 93 HIS H 4.230 . 4.230 2.669 2.592 2.767 . 0 0 "[ . 1 . 2]" 1
1342 1 90 ASN H 1 93 HIS H 5.630 . 5.630 5.118 4.698 5.318 . 0 0 "[ . 1 . 2]" 1
1343 1 66 TYR H 1 66 TYR HD2 4.840 . 4.840 4.311 4.099 4.581 . 0 0 "[ . 1 . 2]" 1
1344 1 92 VAL H 1 94 ASP H 5.670 . 5.670 4.133 3.978 4.424 . 0 0 "[ . 1 . 2]" 1
1345 1 66 TYR H 1 66 TYR HB3 3.800 . 3.800 2.240 2.132 2.372 . 0 0 "[ . 1 . 2]" 1
1346 1 65 TYR HB3 1 66 TYR H 3.970 . 3.970 2.460 2.351 2.658 . 0 0 "[ . 1 . 2]" 1
1347 1 65 TYR HB2 1 66 TYR H 4.470 . 4.470 3.880 3.807 3.987 . 0 0 "[ . 1 . 2]" 1
1348 1 92 VAL H 1 92 VAL HB 4.250 . 4.250 2.472 2.402 2.553 . 0 0 "[ . 1 . 2]" 1
1349 1 66 TYR H 1 121 MET ME 4.230 . 4.230 3.120 2.880 3.392 . 0 0 "[ . 1 . 2]" 1
1350 1 90 ASN HA 1 90 ASN HD21 4.710 . 4.710 4.027 2.630 4.466 . 0 0 "[ . 1 . 2]" 1
1351 1 90 ASN H 1 90 ASN HD22 5.760 . 5.760 4.709 4.155 5.489 . 0 0 "[ . 1 . 2]" 1
1352 1 90 ASN HA 1 90 ASN HD22 4.820 . 4.820 4.299 3.495 4.675 . 0 0 "[ . 1 . 2]" 1
1353 1 90 ASN H 1 90 ASN HD21 5.220 . 5.220 3.590 2.784 4.230 . 0 0 "[ . 1 . 2]" 1
1354 1 89 ASN H 1 90 ASN H 3.970 . 3.970 2.610 2.528 2.817 . 0 0 "[ . 1 . 2]" 1
1355 1 90 ASN H 1 91 PHE QD 4.810 . 4.810 4.166 3.946 4.415 . 0 0 "[ . 1 . 2]" 1
1356 1 90 ASN H 1 90 ASN QB . . 3.910 2.219 2.106 2.341 . 0 0 "[ . 1 . 2]" 1
1357 1 89 ASN HB3 1 90 ASN H 4.640 . 4.640 3.978 3.818 4.188 . 0 0 "[ . 1 . 2]" 1
1358 1 48 SER HA 1 76 GLN HE22 4.340 . 4.340 4.195 4.007 4.344 0.004 1 0 "[ . 1 . 2]" 1
1359 1 89 ASN HB3 1 89 ASN HD22 4.130 . 4.130 3.530 3.476 3.592 . 0 0 "[ . 1 . 2]" 1
1360 1 76 GLN HB3 1 76 GLN HE22 4.510 . 4.510 3.686 3.608 3.770 . 0 0 "[ . 1 . 2]" 1
1361 1 46 LEU HG 1 76 GLN HE22 4.590 . 4.590 3.309 3.161 3.431 . 0 0 "[ . 1 . 2]" 1
1362 1 46 LEU MD1 1 76 GLN HE22 4.860 . 4.860 3.196 3.055 3.302 . 0 0 "[ . 1 . 2]" 1
1363 1 89 ASN HB3 1 89 ASN HD21 3.670 . 3.670 2.310 2.184 2.461 . 0 0 "[ . 1 . 2]" 1
1364 1 24 ASN HA 1 24 ASN HD21 4.840 . 4.840 2.973 2.007 4.512 . 0 0 "[ . 1 . 2]" 1
1365 1 89 ASN HD21 1 90 ASN HA 6.000 . 6.000 5.386 4.632 6.011 0.011 2 0 "[ . 1 . 2]" 1
1366 1 89 ASN HD21 1 90 ASN H 5.250 . 5.250 3.419 2.904 4.166 . 0 0 "[ . 1 . 2]" 1
1367 1 89 ASN H 1 89 ASN HD21 4.700 . 4.700 2.384 2.203 2.655 . 0 0 "[ . 1 . 2]" 1
1368 1 89 ASN H 1 89 ASN HD22 4.970 . 4.970 3.803 3.476 4.250 . 0 0 "[ . 1 . 2]" 1
1369 1 89 ASN H 1 91 PHE QE 6.000 . 6.000 5.758 5.547 5.852 . 0 0 "[ . 1 . 2]" 1
1370 1 88 GLN H 1 89 ASN H 4.040 . 4.040 3.017 2.879 3.186 . 0 0 "[ . 1 . 2]" 1
1371 1 89 ASN H 1 90 ASN QB 5.160 . 5.160 4.429 4.229 4.562 . 0 0 "[ . 1 . 2]" 1
1372 1 89 ASN H 1 89 ASN HB3 3.460 . 3.460 2.357 2.211 2.575 . 0 0 "[ . 1 . 2]" 1
1373 1 88 GLN H 1 89 ASN HD21 5.500 . 5.500 4.497 4.086 4.897 . 0 0 "[ . 1 . 2]" 1
1374 1 88 GLN H 1 91 PHE QE 6.000 . 6.000 5.441 4.685 5.573 . 0 0 "[ . 1 . 2]" 1
1375 1 88 GLN H 1 88 GLN HB2 4.220 . 4.220 2.329 2.081 2.616 . 0 0 "[ . 1 . 2]" 1
1376 1 88 GLN H 1 88 GLN HB3 4.220 . 4.220 3.123 2.511 3.646 . 0 0 "[ . 1 . 2]" 1
1377 1 84 GLU HG2 1 85 TYR H 6.000 . 6.000 4.147 2.722 5.386 . 0 0 "[ . 1 . 2]" 1
1378 1 84 GLU HG3 1 85 TYR H 6.000 . 6.000 4.188 2.120 5.302 . 0 0 "[ . 1 . 2]" 1
1379 1 45 MET H 1 45 MET HG2 4.240 . 4.240 2.358 2.290 2.407 . 0 0 "[ . 1 . 2]" 1
1380 1 44 TYR HA 1 45 MET H 3.400 . 3.400 2.683 2.633 2.736 . 0 0 "[ . 1 . 2]" 1
1381 1 44 TYR HD1 1 45 MET H 4.960 . 4.960 4.316 4.130 4.483 . 0 0 "[ . 1 . 2]" 1
1382 1 45 MET H 1 79 TYR H 4.460 . 4.460 3.264 3.152 3.480 . 0 0 "[ . 1 . 2]" 1
1383 1 47 GLY H 1 79 TYR H 5.690 . 5.690 4.532 4.289 4.769 . 0 0 "[ . 1 . 2]" 1
1384 1 46 LEU H 1 79 TYR H 5.590 . 5.590 5.023 4.935 5.217 . 0 0 "[ . 1 . 2]" 1
1385 1 78 TYR HA 1 79 TYR H 3.990 . 3.990 2.279 2.253 2.309 . 0 0 "[ . 1 . 2]" 1
1386 1 46 LEU HA 1 79 TYR H 4.420 . 4.420 3.663 3.501 3.987 . 0 0 "[ . 1 . 2]" 1
1387 1 44 TYR HB2 1 79 TYR H 5.230 . 5.230 4.537 4.459 4.634 . 0 0 "[ . 1 . 2]" 1
1388 1 41 LEU HG 1 79 TYR H 5.690 . 5.690 5.249 4.833 5.564 . 0 0 "[ . 1 . 2]" 1
1389 1 79 TYR H 1 98 ILE HB 5.990 . 5.990 4.523 4.342 4.917 . 0 0 "[ . 1 . 2]" 1
1390 1 79 TYR H 1 98 ILE HG13 5.470 . 5.470 5.169 4.896 5.762 0.292 20 0 "[ . 1 . 2]" 1
1391 1 79 TYR H 1 98 ILE MG 5.590 . 5.590 3.768 3.594 4.024 . 0 0 "[ . 1 . 2]" 1
1392 1 46 LEU MD1 1 79 TYR H 5.510 . 5.510 5.040 4.854 5.312 . 0 0 "[ . 1 . 2]" 1
1393 1 78 TYR H 1 98 ILE MG 5.290 . 5.290 4.335 4.257 4.413 . 0 0 "[ . 1 . 2]" 1
1394 1 77 VAL QG 1 78 TYR H 4.440 . 4.440 3.045 2.932 3.146 . 0 0 "[ . 1 . 2]" 1
1395 1 78 TYR H 1 99 THR MG 4.270 . 4.270 2.843 2.666 2.933 . 0 0 "[ . 1 . 2]" 1
1396 1 77 VAL HB 1 78 TYR H 3.980 . 3.980 2.238 2.155 2.342 . 0 0 "[ . 1 . 2]" 1
1397 1 78 TYR H 1 99 THR HA 5.270 . 5.270 3.185 2.781 3.345 . 0 0 "[ . 1 . 2]" 1
1398 1 78 TYR H 1 99 THR HB 4.990 . 4.990 3.839 3.806 3.884 . 0 0 "[ . 1 . 2]" 1
1399 1 76 GLN H 1 77 VAL H 5.290 . 5.290 4.488 4.400 4.579 . 0 0 "[ . 1 . 2]" 1
1400 1 76 GLN HE22 1 77 VAL H 6.000 . 6.000 5.943 5.748 6.005 0.005 3 0 "[ . 1 . 2]" 1
1401 1 77 VAL H 1 78 TYR HD1 6.000 . 6.000 5.272 5.077 5.519 . 0 0 "[ . 1 . 2]" 1
1402 1 76 GLN HA 1 77 VAL H 3.860 . 3.860 2.377 2.305 2.434 . 0 0 "[ . 1 . 2]" 1
1403 1 47 GLY HA3 1 77 VAL H 5.540 . 5.540 3.743 3.623 3.848 . 0 0 "[ . 1 . 2]" 1
1404 1 76 GLN HB3 1 77 VAL H 4.470 . 4.470 3.819 3.708 3.894 . 0 0 "[ . 1 . 2]" 1
1405 1 76 GLN HB2 1 77 VAL H 4.630 . 4.630 2.481 2.294 2.568 . 0 0 "[ . 1 . 2]" 1
1406 1 77 VAL H 1 77 VAL QG . . 3.990 2.069 1.977 2.137 . 0 0 "[ . 1 . 2]" 1
1407 1 46 LEU MD1 1 77 VAL H 5.170 . 5.170 3.334 3.223 3.480 . 0 0 "[ . 1 . 2]" 1
1408 1 48 SER HA 1 76 GLN HE21 4.440 . 4.440 3.431 3.335 3.534 . 0 0 "[ . 1 . 2]" 1
1409 1 76 GLN HB3 1 76 GLN HE21 4.430 . 4.430 2.653 2.508 2.842 . 0 0 "[ . 1 . 2]" 1
1410 1 46 LEU HG 1 76 GLN HE21 5.210 . 5.210 2.963 2.888 3.113 . 0 0 "[ . 1 . 2]" 1
1411 1 46 LEU MD2 1 76 GLN HE21 4.650 . 4.650 3.268 3.118 3.390 . 0 0 "[ . 1 . 2]" 1
1412 1 46 LEU MD1 1 76 GLN HE21 4.880 . 4.880 2.448 2.360 2.524 . 0 0 "[ . 1 . 2]" 1
1413 1 74 PRO HB2 1 76 GLN H 4.580 . 4.580 3.121 2.878 3.438 . 0 0 "[ . 1 . 2]" 1
1414 1 76 GLN H 1 76 GLN HB3 4.200 . 4.200 3.142 2.916 3.335 . 0 0 "[ . 1 . 2]" 1
1415 1 75 ASN HB3 1 76 GLN H 4.030 . 4.030 3.150 2.771 3.365 . 0 0 "[ . 1 . 2]" 1
1416 1 76 GLN H 1 76 GLN HE21 5.430 . 5.430 5.162 4.937 5.290 . 0 0 "[ . 1 . 2]" 1
1417 1 75 ASN H 1 76 GLN H 3.420 . 3.420 2.350 2.127 2.508 . 0 0 "[ . 1 . 2]" 1
1418 1 49 ALA MB 1 76 GLN H 5.500 . 5.500 4.303 3.991 4.674 . 0 0 "[ . 1 . 2]" 1
1419 1 46 LEU MD1 1 76 GLN H 5.640 . 5.640 4.994 4.806 5.084 . 0 0 "[ . 1 . 2]" 1
1420 1 49 ALA MB 1 75 ASN QD . . 4.220 2.568 2.142 3.021 . 0 0 "[ . 1 . 2]" 1
1421 1 49 ALA HA 1 75 ASN QD . . 5.210 2.991 2.708 3.238 . 0 0 "[ . 1 . 2]" 1
1422 1 75 ASN QD 1 76 GLN H 6.000 . 6.000 4.333 4.242 4.395 . 0 0 "[ . 1 . 2]" 1
1423 1 52 ARG HG2 1 75 ASN QD 6.000 . 6.000 4.259 3.011 5.877 . 0 0 "[ . 1 . 2]" 1
1424 1 52 ARG HG3 1 75 ASN QD 6.000 . 6.000 4.351 3.082 4.974 . 0 0 "[ . 1 . 2]" 1
1425 1 74 PRO HB2 1 75 ASN H 4.090 . 4.090 3.140 2.861 3.396 . 0 0 "[ . 1 . 2]" 1
1426 1 49 ALA MB 1 75 ASN H 5.640 . 5.640 4.876 4.648 5.155 . 0 0 "[ . 1 . 2]" 1
1427 1 75 ASN H 1 75 ASN HB2 3.980 . 3.980 2.281 2.177 2.433 . 0 0 "[ . 1 . 2]" 1
1428 1 74 PRO HA 1 75 ASN H 3.510 . 3.510 2.234 2.168 2.339 . 0 0 "[ . 1 . 2]" 1
1429 1 75 ASN H 1 75 ASN QD 5.320 . 5.320 4.484 4.438 4.524 . 0 0 "[ . 1 . 2]" 1
1430 1 73 TYR H 1 73 TYR HE1 5.070 . 5.070 4.980 4.874 5.076 0.006 4 0 "[ . 1 . 2]" 1
1431 1 73 TYR H 1 73 TYR HD1 4.480 . 4.480 2.525 2.417 2.611 . 0 0 "[ . 1 . 2]" 1
1432 1 71 HIS H 1 73 TYR H 4.690 . 4.690 4.134 4.032 4.238 . 0 0 "[ . 1 . 2]" 1
1433 1 71 HIS HA 1 73 TYR H 5.060 . 5.060 4.112 3.971 4.300 . 0 0 "[ . 1 . 2]" 1
1434 1 70 MET HA 1 73 TYR H 4.850 . 4.850 3.045 2.838 3.212 . 0 0 "[ . 1 . 2]" 1
1435 1 73 TYR H 1 73 TYR HB2 3.530 . 3.530 2.238 2.206 2.272 . 0 0 "[ . 1 . 2]" 1
1436 1 72 ARG HB3 1 73 TYR H 4.680 . 4.680 4.292 4.140 4.483 . 0 0 "[ . 1 . 2]" 1
1437 1 72 ARG HG2 1 73 TYR H 4.120 . 4.120 3.012 2.800 3.266 . 0 0 "[ . 1 . 2]" 1
1438 1 72 ARG HG3 1 73 TYR H 5.020 . 5.020 4.214 4.011 4.669 . 0 0 "[ . 1 . 2]" 1
1439 1 72 ARG H 1 72 ARG HG3 4.590 . 4.590 3.905 3.877 3.963 . 0 0 "[ . 1 . 2]" 1
1440 1 72 ARG H 1 72 ARG HG2 3.730 . 3.730 2.443 2.382 2.530 . 0 0 "[ . 1 . 2]" 1
1441 1 72 ARG H 1 72 ARG HB3 4.120 . 4.120 2.679 2.596 2.902 . 0 0 "[ . 1 . 2]" 1
1442 1 72 ARG H 1 72 ARG HD2 4.180 . 4.180 3.355 3.169 3.559 . 0 0 "[ . 1 . 2]" 1
1443 1 70 MET HA 1 72 ARG H 5.380 . 5.380 3.704 3.593 3.812 . 0 0 "[ . 1 . 2]" 1
1444 1 69 ASN HA 1 72 ARG H 5.350 . 5.350 3.922 3.705 4.022 . 0 0 "[ . 1 . 2]" 1
1445 1 71 HIS H 1 72 ARG H 4.000 . 4.000 2.818 2.759 2.865 . 0 0 "[ . 1 . 2]" 1
1446 1 69 ASN HA 1 71 HIS H 5.070 . 5.070 3.496 3.373 3.588 . 0 0 "[ . 1 . 2]" 1
1447 1 71 HIS H 1 71 HIS HB3 3.930 . 3.930 2.677 2.482 2.837 . 0 0 "[ . 1 . 2]" 1
1448 1 70 MET HG2 1 71 HIS H 4.400 . 4.400 4.298 4.140 4.429 0.029 16 0 "[ . 1 . 2]" 1
1449 1 70 MET HG3 1 71 HIS H 4.830 . 4.830 4.793 4.675 4.904 0.074 1 0 "[ . 1 . 2]" 1
1450 1 70 MET HB3 1 71 HIS H 4.890 . 4.890 3.074 3.002 3.168 . 0 0 "[ . 1 . 2]" 1
1451 1 70 MET HB2 1 71 HIS H 4.970 . 4.970 4.146 4.088 4.221 . 0 0 "[ . 1 . 2]" 1
1452 1 70 MET ME 1 71 HIS H 5.300 . 5.300 4.871 4.636 5.099 . 0 0 "[ . 1 . 2]" 1
1453 1 70 MET H 1 73 TYR HE1 5.110 . 5.110 4.611 4.488 4.948 . 0 0 "[ . 1 . 2]" 1
1454 1 69 ASN HD21 1 70 MET H 4.870 . 4.870 4.754 4.687 4.801 . 0 0 "[ . 1 . 2]" 1
1455 1 69 ASN H 1 70 MET H 3.700 . 3.700 2.577 2.479 2.638 . 0 0 "[ . 1 . 2]" 1
1456 1 66 TYR HA 1 70 MET H 4.880 . 4.880 4.126 3.930 4.289 . 0 0 "[ . 1 . 2]" 1
1457 1 68 GLU HA 1 70 MET H 5.280 . 5.280 4.079 3.977 4.153 . 0 0 "[ . 1 . 2]" 1
1458 1 67 ARG HA 1 70 MET H 4.910 . 4.910 3.631 3.371 3.882 . 0 0 "[ . 1 . 2]" 1
1459 1 70 MET H 1 71 HIS HB3 6.000 . 6.000 5.392 5.165 5.612 . 0 0 "[ . 1 . 2]" 1
1460 1 70 MET H 1 70 MET HG2 4.970 . 4.970 4.550 4.469 4.591 . 0 0 "[ . 1 . 2]" 1
1461 1 69 ASN HB2 1 70 MET H 4.030 . 4.030 3.482 3.465 3.524 . 0 0 "[ . 1 . 2]" 1
1462 1 68 GLU HB2 1 70 MET H 5.480 . 5.480 4.787 4.646 4.920 . 0 0 "[ . 1 . 2]" 1
1463 1 70 MET H 1 70 MET ME 4.450 . 4.450 3.947 3.852 4.072 . 0 0 "[ . 1 . 2]" 1
1464 1 70 MET H 1 70 MET HB3 4.180 . 4.180 2.589 2.464 2.664 . 0 0 "[ . 1 . 2]" 1
1465 1 70 MET H 1 70 MET HB2 4.030 . 4.030 2.357 2.292 2.480 . 0 0 "[ . 1 . 2]" 1
1466 1 65 TYR HA 1 69 ASN HD22 5.040 . 5.040 4.212 4.065 4.376 . 0 0 "[ . 1 . 2]" 1
1467 1 68 GLU HB2 1 69 ASN HD22 4.500 . 4.500 3.745 3.518 3.937 . 0 0 "[ . 1 . 2]" 1
1468 1 68 GLU H 1 69 ASN HD22 5.540 . 5.540 5.539 5.528 5.546 0.006 4 0 "[ . 1 . 2]" 1
1469 1 65 TYR HA 1 69 ASN HD21 5.390 . 5.390 3.204 3.032 3.382 . 0 0 "[ . 1 . 2]" 1
1470 1 68 GLU HB2 1 69 ASN HD21 4.850 . 4.850 2.687 2.417 2.929 . 0 0 "[ . 1 . 2]" 1
1471 1 69 ASN H 1 69 ASN HB2 3.660 . 3.660 2.252 2.225 2.281 . 0 0 "[ . 1 . 2]" 1
1472 1 68 GLU HB2 1 69 ASN H 3.900 . 3.900 2.543 2.379 2.761 . 0 0 "[ . 1 . 2]" 1
1473 1 69 ASN H 1 70 MET HB3 5.060 . 5.060 5.019 4.896 5.062 0.002 3 0 "[ . 1 . 2]" 1
1474 1 69 ASN H 1 70 MET HB2 5.380 . 5.380 4.608 4.478 4.815 . 0 0 "[ . 1 . 2]" 1
1475 1 65 TYR HA 1 69 ASN H 5.200 . 5.200 4.087 3.943 4.168 . 0 0 "[ . 1 . 2]" 1
1476 1 69 ASN H 1 70 MET HA 5.270 . 5.270 4.976 4.849 5.096 . 0 0 "[ . 1 . 2]" 1
1477 1 69 ASN H 1 69 ASN HD21 3.930 . 3.930 2.348 2.284 2.431 . 0 0 "[ . 1 . 2]" 1
1478 1 69 ASN H 1 69 ASN HD22 4.590 . 4.590 3.931 3.850 4.012 . 0 0 "[ . 1 . 2]" 1
1479 1 66 TYR H 1 68 GLU H 5.580 . 5.580 4.335 4.257 4.406 . 0 0 "[ . 1 . 2]" 1
1480 1 68 GLU H 1 69 ASN H 3.820 . 3.820 2.511 2.404 2.628 . 0 0 "[ . 1 . 2]" 1
1481 1 68 GLU H 1 69 ASN HD21 4.540 . 4.540 3.974 3.915 4.020 . 0 0 "[ . 1 . 2]" 1
1482 1 65 TYR HD1 1 68 GLU H 5.380 . 5.380 5.392 5.370 5.404 0.024 10 0 "[ . 1 . 2]" 1
1483 1 68 GLU H 1 69 ASN HA 5.660 . 5.660 5.188 5.097 5.277 . 0 0 "[ . 1 . 2]" 1
1484 1 68 GLU H 1 68 GLU HG3 3.760 . 3.760 2.421 2.301 2.523 . 0 0 "[ . 1 . 2]" 1
1485 1 68 GLU H 1 68 GLU HB2 3.290 . 3.290 2.355 2.306 2.422 . 0 0 "[ . 1 . 2]" 1
1486 1 64 ARG HG3 1 68 GLU H 6.000 . 6.000 5.613 5.167 5.830 . 0 0 "[ . 1 . 2]" 1
1487 1 67 ARG H 1 67 ARG HG2 3.770 . 3.770 2.918 2.444 3.446 . 0 0 "[ . 1 . 2]" 1
1488 1 67 ARG H 1 67 ARG HG3 4.600 . 4.600 3.175 2.509 4.009 . 0 0 "[ . 1 . 2]" 1
1489 1 67 ARG H 1 121 MET ME 5.590 . 5.590 4.906 4.707 5.160 . 0 0 "[ . 1 . 2]" 1
1490 1 67 ARG H 1 69 ASN HD21 5.690 . 5.690 5.620 5.551 5.696 0.006 10 0 "[ . 1 . 2]" 1
1491 1 66 TYR HD2 1 67 ARG H 4.150 . 4.150 3.103 2.985 3.218 . 0 0 "[ . 1 . 2]" 1
1492 1 66 TYR H 1 67 ARG H 4.090 . 4.090 2.719 2.684 2.782 . 0 0 "[ . 1 . 2]" 1
1493 1 65 TYR H 1 66 TYR H 4.060 . 4.060 2.787 2.703 2.860 . 0 0 "[ . 1 . 2]" 1
1494 1 24 ASN H 1 25 MET H 4.540 . 4.540 2.970 2.210 3.831 . 0 0 "[ . 1 . 2]" 1
1495 1 65 TYR H 1 67 ARG H 5.120 . 5.120 4.026 3.929 4.096 . 0 0 "[ . 1 . 2]" 1
1496 1 62 GLU H 1 65 TYR H 5.440 . 5.440 4.622 4.526 4.673 . 0 0 "[ . 1 . 2]" 1
1497 1 65 TYR H 1 65 TYR HD2 5.140 . 5.140 4.509 4.220 4.596 . 0 0 "[ . 1 . 2]" 1
1498 1 24 ASN HA 1 25 MET H 3.720 . 3.720 2.797 2.216 3.452 . 0 0 "[ . 1 . 2]" 1
1499 1 23 THR HB 1 25 MET H 5.800 . 5.800 4.424 2.538 5.103 . 0 0 "[ . 1 . 2]" 1
1500 1 62 GLU HA 1 65 TYR H 4.350 . 4.350 3.469 3.332 3.566 . 0 0 "[ . 1 . 2]" 1
1501 1 65 TYR H 1 65 TYR HB3 3.740 . 3.740 2.291 2.207 2.331 . 0 0 "[ . 1 . 2]" 1
1502 1 65 TYR H 1 65 TYR HB2 4.280 . 4.280 2.785 2.682 2.984 . 0 0 "[ . 1 . 2]" 1
1503 1 64 ARG HG2 1 65 TYR H 4.630 . 4.630 3.898 3.593 4.059 . 0 0 "[ . 1 . 2]" 1
1504 1 64 ARG HG3 1 65 TYR H 4.210 . 4.210 2.263 2.172 2.448 . 0 0 "[ . 1 . 2]" 1
1505 1 61 TYR QD 1 62 GLU H 4.760 . 4.760 2.993 2.845 3.173 . 0 0 "[ . 1 . 2]" 1
1506 1 61 TYR HB3 1 62 GLU H 4.010 . 4.010 2.535 2.467 2.598 . 0 0 "[ . 1 . 2]" 1
1507 1 61 TYR HB2 1 62 GLU H 4.580 . 4.580 3.928 3.875 3.972 . 0 0 "[ . 1 . 2]" 1
1508 1 120 LYS H 1 120 LYS HG3 3.880 . 3.880 2.154 2.004 2.488 . 0 0 "[ . 1 . 2]" 1
1509 1 61 TYR H 1 64 ARG HG3 5.860 . 5.860 5.211 4.912 5.567 . 0 0 "[ . 1 . 2]" 1
1510 1 61 TYR H 1 62 GLU QB 5.190 . 5.190 4.461 4.279 4.569 . 0 0 "[ . 1 . 2]" 1
1511 1 61 TYR H 1 61 TYR HB2 3.440 . 3.440 2.670 2.592 2.808 . 0 0 "[ . 1 . 2]" 1
1512 1 61 TYR H 1 61 TYR HB3 3.490 . 3.490 2.369 2.272 2.456 . 0 0 "[ . 1 . 2]" 1
1513 1 61 TYR H 1 62 GLU HA 5.950 . 5.950 5.404 5.294 5.471 . 0 0 "[ . 1 . 2]" 1
1514 1 59 SER HA 1 61 TYR H 5.010 . 5.010 4.271 3.935 4.465 . 0 0 "[ . 1 . 2]" 1
1515 1 61 TYR H 1 61 TYR QD 5.090 . 5.090 4.179 4.105 4.220 . 0 0 "[ . 1 . 2]" 1
1516 1 61 TYR H 1 62 GLU H 3.860 . 3.860 2.785 2.630 2.896 . 0 0 "[ . 1 . 2]" 1
1517 1 60 ASP H 1 61 TYR H 3.880 . 3.880 2.672 2.384 2.837 . 0 0 "[ . 1 . 2]" 1
1518 1 60 ASP H 1 62 GLU H 5.280 . 5.280 4.381 4.120 4.548 . 0 0 "[ . 1 . 2]" 1
1519 1 59 SER H 1 60 ASP H 4.910 . 4.910 4.426 4.310 4.565 . 0 0 "[ . 1 . 2]" 1
1520 1 59 SER HA 1 60 ASP H 3.460 . 3.460 2.545 2.471 2.615 . 0 0 "[ . 1 . 2]" 1
1521 1 59 SER HB2 1 60 ASP H 4.200 . 4.200 3.508 3.196 3.929 . 0 0 "[ . 1 . 2]" 1
1522 1 59 SER HB3 1 60 ASP H 4.200 . 4.200 2.607 2.126 3.593 . 0 0 "[ . 1 . 2]" 1
1523 1 60 ASP H 1 61 TYR HB3 5.420 . 5.420 4.710 4.330 4.833 . 0 0 "[ . 1 . 2]" 1
1524 1 60 ASP H 1 60 ASP HB2 3.760 . 3.760 2.520 2.330 2.789 . 0 0 "[ . 1 . 2]" 1
1525 1 60 ASP H 1 60 ASP HB3 3.760 . 3.760 2.613 2.307 3.591 . 0 0 "[ . 1 . 2]" 1
1526 1 59 SER H 1 62 GLU QB 4.180 . 4.180 2.176 2.010 2.678 . 0 0 "[ . 1 . 2]" 1
1527 1 59 SER H 1 60 ASP HA 5.860 . 5.860 5.099 4.670 5.781 . 0 0 "[ . 1 . 2]" 1
1528 1 58 GLY HA3 1 59 SER H 3.750 . 3.750 2.574 2.113 2.861 . 0 0 "[ . 1 . 2]" 1
1529 1 59 SER H 1 61 TYR H 5.170 . 5.170 4.559 4.393 4.695 . 0 0 "[ . 1 . 2]" 1
1530 1 59 SER H 1 62 GLU H 4.650 . 4.650 3.120 3.003 3.377 . 0 0 "[ . 1 . 2]" 1
1531 1 58 GLY H 1 59 SER H 4.120 . 4.120 2.820 2.550 3.764 . 0 0 "[ . 1 . 2]" 1
1532 1 57 PHE H 1 57 PHE QD 4.070 . 4.070 3.195 2.991 3.337 . 0 0 "[ . 1 . 2]" 1
1533 1 56 HIS HD2 1 57 PHE H 5.180 . 5.180 4.742 4.394 5.454 0.274 5 0 "[ . 1 . 2]" 1
1534 1 57 PHE H 1 57 PHE QE 5.720 . 5.720 4.614 4.475 4.761 . 0 0 "[ . 1 . 2]" 1
1535 1 57 PHE H 1 58 GLY HA2 5.350 . 5.350 4.841 4.516 5.141 . 0 0 "[ . 1 . 2]" 1
1536 1 57 PHE H 1 58 GLY HA3 5.260 . 5.260 4.743 4.316 5.206 . 0 0 "[ . 1 . 2]" 1
1537 1 56 HIS HB3 1 57 PHE H 3.970 . 3.970 2.835 2.691 2.914 . 0 0 "[ . 1 . 2]" 1
1538 1 56 HIS HB2 1 57 PHE H 4.350 . 4.350 3.971 3.823 4.088 . 0 0 "[ . 1 . 2]" 1
1539 1 57 PHE H 1 121 MET ME 5.360 . 5.360 4.484 4.273 4.832 . 0 0 "[ . 1 . 2]" 1
1540 1 55 ILE MG 1 57 PHE H 5.700 . 5.700 4.868 4.779 5.052 . 0 0 "[ . 1 . 2]" 1
1541 1 38 VAL MG2 1 41 LEU H 4.470 . 4.470 3.934 3.864 3.993 . 0 0 "[ . 1 . 2]" 1
1542 1 55 ILE HB 1 56 HIS H 4.760 . 4.760 3.953 3.676 4.152 . 0 0 "[ . 1 . 2]" 1
1543 1 41 LEU H 1 41 LEU MD1 4.290 . 4.290 3.671 3.187 3.833 . 0 0 "[ . 1 . 2]" 1
1544 1 55 ILE MD 1 56 HIS H 4.470 . 4.470 4.008 3.935 4.111 . 0 0 "[ . 1 . 2]" 1
1545 1 55 ILE MG 1 56 HIS H 3.610 . 3.610 2.465 2.137 2.773 . 0 0 "[ . 1 . 2]" 1
1546 1 56 HIS H 1 56 HIS HB2 3.650 . 3.650 2.445 2.334 2.597 . 0 0 "[ . 1 . 2]" 1
1547 1 55 ILE HA 1 56 HIS H 3.170 . 3.170 2.274 2.200 2.466 . 0 0 "[ . 1 . 2]" 1
1548 1 38 VAL HA 1 41 LEU H 5.570 . 5.570 4.803 4.747 4.947 . 0 0 "[ . 1 . 2]" 1
1549 1 56 HIS H 1 56 HIS HD2 5.080 . 5.080 3.393 2.744 3.643 . 0 0 "[ . 1 . 2]" 1
1550 1 56 HIS H 1 57 PHE QE 5.580 . 5.580 4.773 4.354 5.130 . 0 0 "[ . 1 . 2]" 1
1551 1 41 LEU H 1 78 TYR HE2 5.620 . 5.620 5.622 5.614 5.632 0.012 7 0 "[ . 1 . 2]" 1
1552 1 55 ILE H 1 56 HIS H 5.170 . 5.170 4.428 4.332 4.529 . 0 0 "[ . 1 . 2]" 1
1553 1 55 ILE H 1 66 TYR HD2 5.000 . 5.000 4.397 4.154 4.632 . 0 0 "[ . 1 . 2]" 1
1554 1 55 ILE H 1 66 TYR HE2 4.320 . 4.320 3.824 3.390 4.292 . 0 0 "[ . 1 . 2]" 1
1555 1 54 ILE HA 1 55 ILE H 3.510 . 3.510 2.201 2.179 2.234 . 0 0 "[ . 1 . 2]" 1
1556 1 54 ILE HB 1 55 ILE H 4.980 . 4.980 4.288 4.042 4.384 . 0 0 "[ . 1 . 2]" 1
1557 1 54 ILE HG12 1 55 ILE H 6.000 . 6.000 5.378 5.335 5.403 . 0 0 "[ . 1 . 2]" 1
1558 1 55 ILE H 1 55 ILE HG12 3.650 . 3.650 2.774 2.526 2.927 . 0 0 "[ . 1 . 2]" 1
1559 1 54 ILE MG 1 55 ILE H 3.800 . 3.800 3.057 2.789 3.142 . 0 0 "[ . 1 . 2]" 1
1560 1 55 ILE H 1 55 ILE MD 4.690 . 4.690 3.701 3.346 3.897 . 0 0 "[ . 1 . 2]" 1
1561 1 55 ILE H 1 55 ILE MG 4.420 . 4.420 3.956 3.931 3.979 . 0 0 "[ . 1 . 2]" 1
1562 1 54 ILE H 1 54 ILE MD 4.120 . 4.120 3.342 3.195 3.435 . 0 0 "[ . 1 . 2]" 1
1563 1 54 ILE H 1 54 ILE MG 4.440 . 4.440 3.887 3.844 3.928 . 0 0 "[ . 1 . 2]" 1
1564 1 54 ILE H 1 54 ILE HG13 4.510 . 4.510 3.954 3.848 4.033 . 0 0 "[ . 1 . 2]" 1
1565 1 53 PRO HB3 1 54 ILE H 4.100 . 4.100 3.599 3.463 3.750 . 0 0 "[ . 1 . 2]" 1
1566 1 54 ILE H 1 54 ILE HB 3.440 . 3.440 2.678 2.573 2.816 . 0 0 "[ . 1 . 2]" 1
1567 1 53 PRO HB2 1 54 ILE H 3.930 . 3.930 2.636 2.345 2.901 . 0 0 "[ . 1 . 2]" 1
1568 1 54 ILE H 1 54 ILE HG12 3.900 . 3.900 2.503 2.353 2.621 . 0 0 "[ . 1 . 2]" 1
1569 1 53 PRO HA 1 54 ILE H 3.230 . 3.230 2.423 2.340 2.513 . 0 0 "[ . 1 . 2]" 1
1570 1 54 ILE H 1 55 ILE HA 5.470 . 5.470 4.933 4.754 5.100 . 0 0 "[ . 1 . 2]" 1
1571 1 54 ILE H 1 55 ILE H 4.890 . 4.890 4.298 4.235 4.376 . 0 0 "[ . 1 . 2]" 1
1572 1 54 ILE H 1 66 TYR HE2 5.610 . 5.610 4.996 4.787 5.168 . 0 0 "[ . 1 . 2]" 1
1573 1 51 SER H 1 52 ARG H 5.180 . 5.180 4.665 4.615 4.705 . 0 0 "[ . 1 . 2]" 1
1574 1 52 ARG H 1 75 ASN QD . . 5.040 4.393 3.399 5.237 0.197 12 0 "[ . 1 . 2]" 1
1575 1 52 ARG H 1 75 ASN HA 5.800 . 5.800 5.633 4.556 6.002 0.202 9 0 "[ . 1 . 2]" 1
1576 1 51 SER HA 1 52 ARG H 3.250 . 3.250 2.275 2.216 2.374 . 0 0 "[ . 1 . 2]" 1
1577 1 52 ARG H 1 52 ARG HB2 3.450 . 3.450 2.607 2.410 3.029 . 0 0 "[ . 1 . 2]" 1
1578 1 50 MET HB2 1 51 SER H 3.390 . 3.390 2.514 2.280 2.837 . 0 0 "[ . 1 . 2]" 1
1579 1 51 SER H 1 51 SER HB3 3.370 . 3.370 2.559 2.514 2.610 . 0 0 "[ . 1 . 2]" 1
1580 1 50 MET HA 1 51 SER H 3.330 . 3.330 2.409 2.317 2.498 . 0 0 "[ . 1 . 2]" 1
1581 1 50 MET H 1 51 SER H 5.450 . 5.450 4.562 4.398 4.680 . 0 0 "[ . 1 . 2]" 1
1582 1 50 MET H 1 77 VAL H 5.870 . 5.870 5.066 4.650 5.575 . 0 0 "[ . 1 . 2]" 1
1583 1 50 MET H 1 75 ASN QD . . 4.940 2.918 2.151 3.778 . 0 0 "[ . 1 . 2]" 1
1584 1 49 ALA HA 1 50 MET H 3.420 . 3.420 2.334 2.205 2.546 . 0 0 "[ . 1 . 2]" 1
1585 1 50 MET H 1 50 MET HB2 4.300 . 4.300 3.768 3.564 3.983 . 0 0 "[ . 1 . 2]" 1
1586 1 50 MET H 1 50 MET ME 4.090 . 4.090 3.342 2.626 4.007 . 0 0 "[ . 1 . 2]" 1
1587 1 50 MET H 1 76 GLN HB2 5.560 . 5.560 4.900 4.600 5.199 . 0 0 "[ . 1 . 2]" 1
1588 1 49 ALA MB 1 50 MET H 4.190 . 4.190 3.413 2.979 3.753 . 0 0 "[ . 1 . 2]" 1
1589 1 49 ALA H 1 49 ALA MB 3.230 . 3.230 2.239 2.208 2.265 . 0 0 "[ . 1 . 2]" 1
1590 1 49 ALA H 1 76 GLN HB3 4.480 . 4.480 3.603 3.472 3.728 . 0 0 "[ . 1 . 2]" 1
1591 1 48 SER HA 1 49 ALA H 3.190 . 3.190 2.393 2.340 2.470 . 0 0 "[ . 1 . 2]" 1
1592 1 49 ALA H 1 50 MET HA 5.990 . 5.990 5.150 4.942 5.392 . 0 0 "[ . 1 . 2]" 1
1593 1 49 ALA H 1 76 GLN HE21 4.960 . 4.960 4.257 4.061 4.404 . 0 0 "[ . 1 . 2]" 1
1594 1 49 ALA H 1 76 GLN HE22 5.370 . 5.370 4.809 4.500 5.089 . 0 0 "[ . 1 . 2]" 1
1595 1 49 ALA H 1 75 ASN QD 6.000 . 6.000 5.202 4.942 5.426 . 0 0 "[ . 1 . 2]" 1
1596 1 48 SER H 1 49 ALA H 5.030 . 5.030 4.615 4.581 4.637 . 0 0 "[ . 1 . 2]" 1
1597 1 47 GLY H 1 48 SER H 4.830 . 4.830 4.488 4.465 4.512 . 0 0 "[ . 1 . 2]" 1
1598 1 48 SER H 1 79 TYR HE2 5.370 . 5.370 5.159 4.715 5.371 0.001 4 0 "[ . 1 . 2]" 1
1599 1 47 GLY HA2 1 48 SER H 3.670 . 3.670 2.566 2.538 2.601 . 0 0 "[ . 1 . 2]" 1
1600 1 48 SER H 1 76 GLN HA 5.530 . 5.530 5.543 5.532 5.557 0.027 10 0 "[ . 1 . 2]" 1
1601 1 47 GLY HA3 1 48 SER H 3.330 . 3.330 2.541 2.503 2.579 . 0 0 "[ . 1 . 2]" 1
1602 1 48 SER H 1 50 MET ME 5.170 . 5.170 3.247 2.785 3.522 . 0 0 "[ . 1 . 2]" 1
1603 1 48 SER H 1 76 GLN HB3 5.530 . 5.530 5.700 5.557 5.768 0.238 7 0 "[ . 1 . 2]" 1
1604 1 46 LEU MD1 1 48 SER H 5.650 . 5.650 5.030 4.959 5.097 . 0 0 "[ . 1 . 2]" 1
1605 1 46 LEU HG 1 47 GLY H 5.240 . 5.240 3.350 3.245 3.467 . 0 0 "[ . 1 . 2]" 1
1606 1 46 LEU HB3 1 47 GLY H 5.200 . 5.200 4.200 4.160 4.239 . 0 0 "[ . 1 . 2]" 1
1607 1 46 LEU HB2 1 47 GLY H 5.050 . 5.050 4.107 4.063 4.158 . 0 0 "[ . 1 . 2]" 1
1608 1 46 LEU MD2 1 47 GLY H 5.420 . 5.420 4.484 4.407 4.559 . 0 0 "[ . 1 . 2]" 1
1609 1 46 LEU MD1 1 47 GLY H 4.180 . 4.180 2.143 2.065 2.210 . 0 0 "[ . 1 . 2]" 1
1610 1 47 GLY H 1 78 TYR HA 5.050 . 5.050 2.918 2.815 3.086 . 0 0 "[ . 1 . 2]" 1
1611 1 46 LEU HA 1 47 GLY H 3.920 . 3.920 2.203 2.181 2.215 . 0 0 "[ . 1 . 2]" 1
1612 1 47 GLY H 1 78 TYR HD2 5.240 . 5.240 4.908 4.718 5.030 . 0 0 "[ . 1 . 2]" 1
1613 1 47 GLY H 1 77 VAL H 5.220 . 5.220 3.551 3.454 3.664 . 0 0 "[ . 1 . 2]" 1
1614 1 38 VAL MG1 1 46 LEU H 4.060 . 4.060 4.075 4.064 4.087 0.027 7 0 "[ . 1 . 2]" 1
1615 1 41 LEU MD2 1 46 LEU H 5.370 . 5.370 5.274 4.285 5.392 0.022 10 0 "[ . 1 . 2]" 1
1616 1 46 LEU H 1 46 LEU MD2 5.640 . 5.640 4.313 4.273 4.366 . 0 0 "[ . 1 . 2]" 1
1617 1 46 LEU H 1 46 LEU MD1 4.990 . 4.990 4.364 4.341 4.388 . 0 0 "[ . 1 . 2]" 1
1618 1 45 MET HB2 1 46 LEU H 3.530 . 3.530 2.292 2.230 2.343 . 0 0 "[ . 1 . 2]" 1
1619 1 36 ALA MB 1 46 LEU H 4.470 . 4.470 3.508 2.915 3.923 . 0 0 "[ . 1 . 2]" 1
1620 1 45 MET HG3 1 46 LEU H 4.330 . 4.330 3.408 3.333 3.508 . 0 0 "[ . 1 . 2]" 1
1621 1 45 MET HA 1 46 LEU H 3.370 . 3.370 2.420 2.389 2.452 . 0 0 "[ . 1 . 2]" 1
1622 1 14 GLN HA 1 15 TRP H 3.490 . 3.490 3.108 2.757 3.263 . 0 0 "[ . 1 . 2]" 1
1623 1 36 ALA H 1 45 MET H 5.510 . 5.510 4.102 3.843 4.274 . 0 0 "[ . 1 . 2]" 1
1624 1 38 VAL MG2 1 44 TYR H 5.180 . 5.180 3.749 3.573 4.158 . 0 0 "[ . 1 . 2]" 1
1625 1 41 LEU MD2 1 44 TYR H 5.650 . 5.650 4.173 3.393 4.421 . 0 0 "[ . 1 . 2]" 1
1626 1 41 LEU HB2 1 44 TYR H 4.840 . 4.840 2.643 2.276 2.765 . 0 0 "[ . 1 . 2]" 1
1627 1 44 TYR H 1 44 TYR HB2 3.500 . 3.500 2.722 2.683 2.817 . 0 0 "[ . 1 . 2]" 1
1628 1 43 GLY HA2 1 44 TYR H 3.880 . 3.880 3.315 3.274 3.353 . 0 0 "[ . 1 . 2]" 1
1629 1 44 TYR H 1 44 TYR HD1 4.910 . 4.910 4.085 3.964 4.292 . 0 0 "[ . 1 . 2]" 1
1630 1 44 TYR H 1 44 TYR HD2 5.270 . 5.270 3.853 3.722 3.983 . 0 0 "[ . 1 . 2]" 1
1631 1 44 TYR H 1 45 MET H 5.040 . 5.040 4.467 4.432 4.501 . 0 0 "[ . 1 . 2]" 1
1632 1 42 GLY H 1 44 TYR H 4.900 . 4.900 3.874 3.800 3.944 . 0 0 "[ . 1 . 2]" 1
1633 1 43 GLY H 1 44 TYR H 3.670 . 3.670 2.373 1.869 2.590 . 0 0 "[ . 1 . 2]" 1
1634 1 43 GLY H 1 44 TYR HD2 4.980 . 4.980 4.413 4.210 4.669 . 0 0 "[ . 1 . 2]" 1
1635 1 43 GLY H 1 43 GLY HA3 3.040 . 3.040 2.456 2.387 2.658 . 0 0 "[ . 1 . 2]" 1
1636 1 43 GLY H 1 44 TYR HB2 4.890 . 4.890 4.492 4.116 4.858 . 0 0 "[ . 1 . 2]" 1
1637 1 41 LEU HB2 1 43 GLY H 5.200 . 5.200 3.407 2.712 3.688 . 0 0 "[ . 1 . 2]" 1
1638 1 37 VAL MG2 1 43 GLY H 5.500 . 5.500 5.042 4.631 5.463 . 0 0 "[ . 1 . 2]" 1
1639 1 38 VAL MG2 1 43 GLY H 6.000 . 6.000 5.375 4.608 5.979 . 0 0 "[ . 1 . 2]" 1
1640 1 7 GLN HA 1 8 GLY H 3.270 . 3.270 2.333 2.158 2.535 . 0 0 "[ . 1 . 2]" 1
1641 1 42 GLY H 1 44 TYR HD2 5.730 . 5.730 5.929 5.822 6.008 0.278 7 0 "[ . 1 . 2]" 1
1642 1 38 VAL H 1 42 GLY H 3.750 . 3.750 3.529 3.443 3.644 . 0 0 "[ . 1 . 2]" 1
1643 1 42 GLY H 1 43 GLY H 4.060 . 4.060 3.461 2.917 3.688 . 0 0 "[ . 1 . 2]" 1
1644 1 41 LEU HB2 1 42 GLY H 3.800 . 3.800 2.720 2.600 2.820 . 0 0 "[ . 1 . 2]" 1
1645 1 37 VAL MG1 1 42 GLY H 5.520 . 5.520 4.015 3.823 4.461 . 0 0 "[ . 1 . 2]" 1
1646 1 38 VAL MG2 1 42 GLY H 5.850 . 5.850 4.158 3.999 4.368 . 0 0 "[ . 1 . 2]" 1
1647 1 41 LEU MD2 1 42 GLY H 4.370 . 4.370 3.780 3.575 3.846 . 0 0 "[ . 1 . 2]" 1
1648 1 38 VAL MG1 1 41 LEU H 4.870 . 4.870 4.196 4.001 4.477 . 0 0 "[ . 1 . 2]" 1
1649 1 41 LEU H 1 41 LEU MD2 4.200 . 4.200 2.552 2.426 2.640 . 0 0 "[ . 1 . 2]" 1
1650 1 41 LEU H 1 41 LEU HB2 3.330 . 3.330 2.617 2.582 2.682 . 0 0 "[ . 1 . 2]" 1
1651 1 40 GLY HA3 1 41 LEU H 3.440 . 3.440 3.142 3.014 3.197 . 0 0 "[ . 1 . 2]" 1
1652 1 41 LEU H 1 44 TYR HB2 5.820 . 5.820 5.533 5.360 5.714 . 0 0 "[ . 1 . 2]" 1
1653 1 41 LEU H 1 44 TYR HD2 5.930 . 5.930 5.864 5.755 5.934 0.004 8 0 "[ . 1 . 2]" 1
1654 1 41 LEU H 1 42 GLY H 3.530 . 3.530 1.874 1.827 1.917 . 0 0 "[ . 1 . 2]" 1
1655 1 40 GLY H 1 40 GLY HA3 3.050 . 3.050 2.331 2.316 2.343 . 0 0 "[ . 1 . 2]" 1
1656 1 40 GLY H 1 41 LEU HB2 5.240 . 5.240 4.761 4.629 5.055 . 0 0 "[ . 1 . 2]" 1
1657 1 34 ALA MB 1 35 GLY H 3.600 . 3.600 2.965 2.732 3.344 . 0 0 "[ . 1 . 2]" 1
1658 1 38 VAL MG2 1 40 GLY H 4.420 . 4.420 4.267 4.212 4.342 . 0 0 "[ . 1 . 2]" 1
1659 1 38 VAL MG1 1 39 GLY H 3.460 . 3.460 2.557 2.408 2.650 . 0 0 "[ . 1 . 2]" 1
1660 1 38 VAL HB 1 39 GLY H 3.970 . 3.970 3.618 3.525 3.712 . 0 0 "[ . 1 . 2]" 1
1661 1 38 VAL HA 1 39 GLY H 3.130 . 3.130 2.292 2.259 2.307 . 0 0 "[ . 1 . 2]" 1
1662 1 39 GLY H 1 40 GLY H 3.470 . 3.470 2.927 2.885 2.968 . 0 0 "[ . 1 . 2]" 1
1663 1 38 VAL H 1 45 MET HA 5.090 . 5.090 3.581 3.419 3.789 . 0 0 "[ . 1 . 2]" 1
1664 1 37 VAL HA 1 38 VAL H 2.900 . 2.900 2.384 2.234 2.608 . 0 0 "[ . 1 . 2]" 1
1665 1 38 VAL H 1 42 GLY HA2 4.200 . 4.200 4.218 4.204 4.239 0.039 10 0 "[ . 1 . 2]" 1
1666 1 38 VAL H 1 38 VAL HB 3.580 . 3.580 3.048 2.982 3.096 . 0 0 "[ . 1 . 2]" 1
1667 1 38 VAL H 1 41 LEU HB2 5.060 . 5.060 3.551 3.412 3.754 . 0 0 "[ . 1 . 2]" 1
1668 1 38 VAL H 1 38 VAL MG2 3.000 . 3.000 1.929 1.834 2.050 . 0 0 "[ . 1 . 2]" 1
1669 1 37 VAL H 1 37 VAL MG2 3.310 . 3.310 2.555 2.512 2.603 . 0 0 "[ . 1 . 2]" 1
1670 1 37 VAL H 1 44 TYR HA 4.490 . 4.490 4.392 4.275 4.498 0.008 1 0 "[ . 1 . 2]" 1
1671 1 37 VAL H 1 45 MET HA 5.460 . 5.460 3.873 3.736 3.986 . 0 0 "[ . 1 . 2]" 1
1672 1 37 VAL H 1 45 MET H 5.220 . 5.220 5.220 5.107 5.229 0.009 5 0 "[ . 1 . 2]" 1
1673 1 36 ALA H 1 45 MET HA 4.990 . 4.990 2.824 2.296 3.137 . 0 0 "[ . 1 . 2]" 1
1674 1 36 ALA H 1 37 VAL HA 5.040 . 5.040 5.054 5.042 5.063 0.023 10 0 "[ . 1 . 2]" 1
1675 1 35 GLY HA3 1 36 ALA H 3.060 . 3.060 2.438 2.323 2.524 . 0 0 "[ . 1 . 2]" 1
1676 1 36 ALA H 1 45 MET HB2 5.090 . 5.090 2.825 2.692 2.948 . 0 0 "[ . 1 . 2]" 1
1677 1 36 ALA H 1 37 VAL HB 6.000 . 6.000 5.945 5.916 6.019 0.019 8 0 "[ . 1 . 2]" 1
1678 1 36 ALA H 1 45 MET ME 6.000 . 6.000 4.226 4.114 4.407 . 0 0 "[ . 1 . 2]" 1
1679 1 36 ALA H 1 45 MET HB3 4.410 . 4.410 1.686 1.621 1.761 . 0 0 "[ . 1 . 2]" 1
1680 1 35 GLY H 1 44 TYR HB3 5.830 . 5.830 5.160 4.930 5.626 . 0 0 "[ . 1 . 2]" 1
1681 1 35 GLY H 1 44 TYR HA 5.240 . 5.240 2.784 2.579 3.212 . 0 0 "[ . 1 . 2]" 1
1682 1 34 ALA H 1 44 TYR HA 4.830 . 4.830 3.771 3.573 3.898 . 0 0 "[ . 1 . 2]" 1
1683 1 33 ALA HA 1 34 ALA H 3.030 . 3.030 2.262 2.142 2.371 . 0 0 "[ . 1 . 2]" 1
1684 1 34 ALA H 1 43 GLY HA3 4.690 . 4.690 3.659 3.550 3.776 . 0 0 "[ . 1 . 2]" 1
1685 1 34 ALA H 1 34 ALA MB 3.100 . 3.100 2.611 2.465 2.719 . 0 0 "[ . 1 . 2]" 1
1686 1 33 ALA H 1 33 ALA MB 3.150 . 3.150 2.621 2.238 2.744 . 0 0 "[ . 1 . 2]" 1
1687 1 32 ALA H 1 32 ALA MB 3.420 . 3.420 2.465 2.224 2.726 . 0 0 "[ . 1 . 2]" 1
1688 1 28 MET HA 1 31 ALA H 5.990 . 5.990 4.241 3.620 4.755 . 0 0 "[ . 1 . 2]" 1
1689 1 28 MET HB3 1 31 ALA H 5.130 . 5.130 3.878 2.504 5.252 0.122 3 0 "[ . 1 . 2]" 1
1690 1 28 MET HB2 1 31 ALA H 5.130 . 5.130 4.193 3.459 5.078 . 0 0 "[ . 1 . 2]" 1
1691 1 31 ALA H 1 31 ALA MB 3.220 . 3.220 2.265 2.175 2.841 . 0 0 "[ . 1 . 2]" 1
1692 1 29 ALA MB 1 30 GLY H 4.440 . 4.440 3.568 2.838 3.769 . 0 0 "[ . 1 . 2]" 1
1693 1 30 GLY H 1 31 ALA MB 4.720 . 4.720 4.129 3.316 4.374 . 0 0 "[ . 1 . 2]" 1
1694 1 28 MET HB2 1 30 GLY H 5.400 . 5.400 3.885 2.835 5.412 0.012 10 0 "[ . 1 . 2]" 1
1695 1 28 MET HB3 1 30 GLY H 5.400 . 5.400 4.213 3.237 5.417 0.017 6 0 "[ . 1 . 2]" 1
1696 1 28 MET HA 1 30 GLY H 5.210 . 5.210 4.501 3.425 5.226 0.016 7 0 "[ . 1 . 2]" 1
1697 1 29 ALA HA 1 30 GLY H 3.530 . 3.530 2.863 2.164 3.529 . 0 0 "[ . 1 . 2]" 1
1698 1 28 MET HA 1 29 ALA H 3.220 . 3.220 3.195 2.411 3.576 0.356 8 0 "[ . 1 . 2]" 1
1699 1 29 ALA H 1 29 ALA MB 3.410 . 3.410 2.568 2.223 2.819 . 0 0 "[ . 1 . 2]" 1
1700 1 27 HIS HA 1 28 MET H 3.810 . 3.810 2.382 2.167 2.969 . 0 0 "[ . 1 . 2]" 1
1701 1 25 MET HB2 1 26 LYS H 4.550 . 4.550 3.326 2.256 3.879 . 0 0 "[ . 1 . 2]" 1
1702 1 26 LYS H 1 26 LYS HB2 3.560 . 3.560 2.686 2.439 2.816 . 0 0 "[ . 1 . 2]" 1
1703 1 26 LYS H 1 26 LYS HG3 4.670 . 4.670 4.267 3.681 4.485 . 0 0 "[ . 1 . 2]" 1
1704 1 25 MET HB3 1 26 LYS H 4.550 . 4.550 2.890 2.248 4.015 . 0 0 "[ . 1 . 2]" 1
1705 1 25 MET HA 1 26 LYS H 3.280 . 3.280 2.403 2.186 2.554 . 0 0 "[ . 1 . 2]" 1
1706 1 23 THR MG 1 24 ASN H 5.150 . 5.150 3.218 2.734 4.446 . 0 0 "[ . 1 . 2]" 1
1707 1 23 THR HA 1 24 ASN H 3.650 . 3.650 2.539 2.177 3.587 . 0 0 "[ . 1 . 2]" 1
1708 1 23 THR HB 1 24 ASN H 5.140 . 5.140 3.837 1.982 4.453 . 0 0 "[ . 1 . 2]" 1
1709 1 23 THR H 1 24 ASN H 5.090 . 5.090 3.915 2.446 4.589 . 0 0 "[ . 1 . 2]" 1
1710 1 23 THR H 1 23 THR HB 3.760 . 3.760 2.680 2.521 3.401 . 0 0 "[ . 1 . 2]" 1
1711 1 22 LYS HB3 1 23 THR H 4.220 . 4.220 2.734 2.365 3.192 . 0 0 "[ . 1 . 2]" 1
1712 1 22 LYS HB2 1 23 THR H 4.520 . 4.520 3.822 3.341 4.148 . 0 0 "[ . 1 . 2]" 1
1713 1 23 THR H 1 23 THR MG 4.660 . 4.660 3.766 3.007 3.938 . 0 0 "[ . 1 . 2]" 1
1714 1 22 LYS H 1 22 LYS HB2 3.540 . 3.540 2.597 2.402 2.798 . 0 0 "[ . 1 . 2]" 1
1715 1 22 LYS H 1 22 LYS HG3 4.550 . 4.550 3.343 2.143 4.374 . 0 0 "[ . 1 . 2]" 1
1716 1 21 PRO HG2 1 22 LYS H 6.000 . 6.000 4.411 4.134 4.676 . 0 0 "[ . 1 . 2]" 1
1717 1 21 PRO HG3 1 22 LYS H 6.000 . 6.000 5.166 4.919 5.425 . 0 0 "[ . 1 . 2]" 1
1718 1 21 PRO HD3 1 22 LYS H 6.000 . 6.000 5.514 5.442 5.570 . 0 0 "[ . 1 . 2]" 1
1719 1 21 PRO HA 1 22 LYS H 3.170 . 3.170 2.374 2.254 2.483 . 0 0 "[ . 1 . 2]" 1
1720 1 22 LYS H 1 23 THR H 5.200 . 5.200 4.508 4.335 4.681 . 0 0 "[ . 1 . 2]" 1
1721 1 19 SER HA 1 20 LYS H 3.430 . 3.430 2.365 2.064 3.075 . 0 0 "[ . 1 . 2]" 1
1722 1 131 ILE H 1 132 THR HA 5.760 . 5.760 5.315 5.269 5.341 . 0 0 "[ . 1 . 2]" 1
1723 1 18 PRO HB2 1 19 SER H 4.520 . 4.520 2.965 2.482 3.400 . 0 0 "[ . 1 . 2]" 1
1724 1 18 PRO HA 1 19 SER H 3.200 . 3.200 2.297 2.157 2.445 . 0 0 "[ . 1 . 2]" 1
1725 1 16 ASN HA 1 17 LYS H 3.290 . 3.290 2.490 2.333 2.665 . 0 0 "[ . 1 . 2]" 1
1726 1 17 LYS H 1 18 PRO HD2 5.590 . 5.590 5.074 4.927 5.198 . 0 0 "[ . 1 . 2]" 1
1727 1 15 TRP HA 1 16 ASN H 3.500 . 3.500 2.370 2.148 2.615 . 0 0 "[ . 1 . 2]" 1
1728 1 46 LEU H 1 47 GLY H 5.070 . 5.070 4.478 4.448 4.512 . 0 0 "[ . 1 . 2]" 1
1729 1 45 MET H 1 46 LEU H 5.010 . 5.010 4.516 4.498 4.528 . 0 0 "[ . 1 . 2]" 1
1730 1 46 LEU H 1 78 TYR HE2 6.000 . 6.000 5.923 5.684 6.169 0.169 7 0 "[ . 1 . 2]" 1
1731 1 46 LEU H 1 79 TYR HD1 6.000 . 6.000 5.627 5.463 5.766 . 0 0 "[ . 1 . 2]" 1
1732 1 14 GLN H 1 14 GLN HG3 4.500 . 4.500 2.165 1.752 2.371 . 0 0 "[ . 1 . 2]" 1
1733 1 14 GLN H 1 14 GLN HB3 4.140 . 4.140 3.301 2.843 3.495 . 0 0 "[ . 1 . 2]" 1
1734 1 13 SER HB2 1 14 GLN H 5.550 . 5.550 4.384 3.647 4.732 . 0 0 "[ . 1 . 2]" 1
1735 1 13 SER HB3 1 14 GLN H 5.550 . 5.550 4.501 4.345 4.714 . 0 0 "[ . 1 . 2]" 1
1736 1 13 SER HA 1 14 GLN H 3.630 . 3.630 2.759 2.490 3.290 . 0 0 "[ . 1 . 2]" 1
1737 1 13 SER H 1 14 GLN H 4.250 . 4.250 3.414 2.760 3.756 . 0 0 "[ . 1 . 2]" 1
1738 1 14 GLN H 1 15 TRP H 4.200 . 4.200 2.425 2.167 3.521 . 0 0 "[ . 1 . 2]" 1
1739 1 7 GLN HB2 1 8 GLY H 6.000 . 6.000 3.795 2.470 4.521 . 0 0 "[ . 1 . 2]" 1
1740 1 7 GLN HB3 1 8 GLY H 6.000 . 6.000 3.813 2.452 4.289 . 0 0 "[ . 1 . 2]" 1
1741 1 38 VAL HB 1 42 GLY H 6.000 . 6.000 3.779 3.643 4.097 . 0 0 "[ . 1 . 2]" 1
1742 1 37 VAL H 1 44 TYR H 4.390 . 4.390 4.147 3.942 4.392 0.002 20 0 "[ . 1 . 2]" 1
1743 1 36 ALA MB 1 37 VAL H 3.970 . 3.970 3.525 3.442 3.590 . 0 0 "[ . 1 . 2]" 1
1744 1 10 GLY H 1 11 THR H 3.840 . 3.840 4.127 2.347 4.631 0.791 14 16 "[* ********** +.** -*]" 1
1745 1 14 GLN HE22 1 15 TRP HD1 3.230 . 3.230 2.352 2.015 2.612 . 0 0 "[ . 1 . 2]" 1
1746 1 14 GLN HE21 1 15 TRP HD1 3.670 . 3.670 2.451 2.103 3.176 . 0 0 "[ . 1 . 2]" 1
1747 1 14 GLN HG3 1 15 TRP H 5.070 . 5.070 4.282 3.999 4.862 . 0 0 "[ . 1 . 2]" 1
1748 1 140 ALA HA 1 143 GLN HE21 4.820 . 4.820 3.656 2.575 4.677 . 0 0 "[ . 1 . 2]" 1
1749 1 143 GLN H 1 144 ARG HB2 5.690 . 5.690 4.809 4.582 5.045 . 0 0 "[ . 1 . 2]" 1
1750 1 143 GLN H 1 144 ARG HG2 5.220 . 5.220 4.454 4.104 4.873 . 0 0 "[ . 1 . 2]" 1
1751 1 143 GLN H 1 143 GLN HE21 5.080 . 5.080 4.227 3.773 5.082 0.002 6 0 "[ . 1 . 2]" 1
1752 1 67 ARG H 1 67 ARG HB2 4.210 . 4.210 2.338 2.032 2.532 . 0 0 "[ . 1 . 2]" 1
1753 1 112 GLU HG3 1 113 ASN H 4.270 . 4.270 2.056 1.843 2.557 . 0 0 "[ . 1 . 2]" 1
1754 1 136 ARG HB2 1 137 GLU H 4.680 . 4.680 3.368 2.144 3.879 . 0 0 "[ . 1 . 2]" 1
1755 1 136 ARG HB3 1 137 GLU H 4.930 . 4.930 2.526 2.178 3.506 . 0 0 "[ . 1 . 2]" 1
1756 1 131 ILE MG 1 134 TYR H 5.570 . 5.570 4.400 4.301 4.571 . 0 0 "[ . 1 . 2]" 1
1757 1 131 ILE H 1 133 GLN H 5.250 . 5.250 4.282 4.228 4.358 . 0 0 "[ . 1 . 2]" 1
1758 1 133 GLN H 1 135 GLU H 5.710 . 5.710 4.362 4.235 4.479 . 0 0 "[ . 1 . 2]" 1
1759 1 133 GLN H 1 134 TYR H 4.360 . 4.360 2.504 2.438 2.546 . 0 0 "[ . 1 . 2]" 1
1760 1 132 THR HB 1 133 GLN H 4.690 . 4.690 4.153 4.112 4.234 . 0 0 "[ . 1 . 2]" 1
1761 1 129 MET HA 1 133 GLN H 5.190 . 5.190 4.583 4.329 4.805 . 0 0 "[ . 1 . 2]" 1
1762 1 133 GLN H 1 133 GLN HG2 4.300 . 4.300 2.622 2.380 2.843 . 0 0 "[ . 1 . 2]" 1
1763 1 132 THR MG 1 133 GLN H 4.700 . 4.700 2.427 2.380 2.484 . 0 0 "[ . 1 . 2]" 1
1764 1 131 ILE MG 1 133 GLN H 5.780 . 5.780 5.010 4.965 5.059 . 0 0 "[ . 1 . 2]" 1
1765 1 96 VAL QG 1 130 CYS H 4.250 . 4.250 2.807 2.665 3.045 . 0 0 "[ . 1 . 2]" 1
1766 1 127 GLU HA 1 129 MET H 5.100 . 5.100 3.984 3.912 4.045 . 0 0 "[ . 1 . 2]" 1
1767 1 119 VAL H 1 120 LYS HB3 5.690 . 5.690 5.068 4.924 5.165 . 0 0 "[ . 1 . 2]" 1
1768 1 129 MET H 1 129 MET ME 5.960 . 5.960 4.207 3.776 4.522 . 0 0 "[ . 1 . 2]" 1
1769 1 128 GLN HE21 1 129 MET H 5.660 . 5.660 2.854 2.698 3.015 . 0 0 "[ . 1 . 2]" 1
1770 1 128 GLN HE22 1 129 MET H 5.390 . 5.390 4.254 3.810 4.755 . 0 0 "[ . 1 . 2]" 1
1771 1 126 ILE HB 1 127 GLU H 4.640 . 4.640 4.196 4.149 4.228 . 0 0 "[ . 1 . 2]" 1
1772 1 126 ILE H 1 126 ILE MG 4.110 . 4.110 2.405 2.345 2.471 . 0 0 "[ . 1 . 2]" 1
1773 1 126 ILE H 1 126 ILE MD 4.710 . 4.710 3.628 3.550 3.687 . 0 0 "[ . 1 . 2]" 1
1774 1 123 GLU H 1 125 VAL H 5.200 . 5.200 4.227 3.994 4.325 . 0 0 "[ . 1 . 2]" 1
1775 1 120 LYS HA 1 123 GLU H 4.730 . 4.730 3.223 3.124 3.292 . 0 0 "[ . 1 . 2]" 1
1776 1 122 MET HG2 1 123 GLU H 4.580 . 4.580 2.866 2.733 3.046 . 0 0 "[ . 1 . 2]" 1
1777 1 98 ILE H 1 99 THR H 3.980 . 3.980 2.793 2.638 2.897 . 0 0 "[ . 1 . 2]" 1
1778 1 115 THR MG 1 118 ASP H 4.760 . 4.760 2.413 2.228 2.598 . 0 0 "[ . 1 . 2]" 1
1779 1 116 GLU HA 1 118 ASP H 6.000 . 6.000 4.082 3.999 4.242 . 0 0 "[ . 1 . 2]" 1
1780 1 117 THR H 1 120 LYS HB3 5.680 . 5.680 5.962 5.825 5.979 0.299 2 0 "[ . 1 . 2]" 1
1781 1 116 GLU H 1 119 VAL MG1 5.540 . 5.540 4.973 4.887 5.039 . 0 0 "[ . 1 . 2]" 1
1782 1 116 GLU H 1 119 VAL MG2 5.750 . 5.750 4.204 4.120 4.253 . 0 0 "[ . 1 . 2]" 1
1783 1 133 GLN QE 1 137 GLU H 4.770 . 4.770 4.809 4.459 5.300 0.530 10 1 "[ . + . 2]" 1
1784 1 113 ASN H 1 114 PHE H 3.900 . 3.900 3.079 2.870 3.425 . 0 0 "[ . 1 . 2]" 1
1785 1 99 THR H 1 100 ILE H 4.030 . 4.030 2.826 2.763 2.871 . 0 0 "[ . 1 . 2]" 1
1786 1 99 THR HB 1 100 ILE H 4.450 . 4.450 2.422 2.354 2.492 . 0 0 "[ . 1 . 2]" 1
1787 1 99 THR MG 1 100 ILE H 4.450 . 4.450 3.364 3.272 3.436 . 0 0 "[ . 1 . 2]" 1
1788 1 100 ILE H 1 126 ILE MG 5.230 . 5.230 5.512 5.430 5.581 0.351 7 0 "[ . 1 . 2]" 1
1789 1 100 ILE H 1 100 ILE MG 3.730 . 3.730 2.176 2.063 2.342 . 0 0 "[ . 1 . 2]" 1
1790 1 99 THR H 1 100 ILE MG 4.790 . 4.790 4.179 4.046 4.346 . 0 0 "[ . 1 . 2]" 1
1791 1 97 ASN HB2 1 98 ILE H 4.780 . 4.780 3.914 3.685 4.029 . 0 0 "[ . 1 . 2]" 1
1792 1 98 ILE H 1 98 ILE HG12 5.050 . 5.050 2.380 2.266 2.500 . 0 0 "[ . 1 . 2]" 1
1793 1 98 ILE H 1 98 ILE HG13 4.990 . 4.990 3.835 3.761 3.908 . 0 0 "[ . 1 . 2]" 1
1794 1 82 MET H 1 82 MET ME 5.580 . 5.580 4.367 3.549 4.827 . 0 0 "[ . 1 . 2]" 1
1795 1 82 MET H 1 91 PHE QE 5.450 . 5.450 4.258 3.885 4.747 . 0 0 "[ . 1 . 2]" 1
1796 1 50 MET H 1 76 GLN H 5.680 . 5.680 5.363 4.918 5.685 0.005 15 0 "[ . 1 . 2]" 1
1797 1 65 TYR HD2 1 66 TYR H 4.260 . 4.260 3.260 2.904 3.355 . 0 0 "[ . 1 . 2]" 1
1798 1 62 GLU H 1 64 ARG H 4.910 . 4.910 4.383 4.103 4.522 . 0 0 "[ . 1 . 2]" 1
1799 1 62 GLU HA 1 64 ARG H 5.640 . 5.640 4.759 4.463 4.904 . 0 0 "[ . 1 . 2]" 1
1800 1 120 LYS H 1 121 MET H 3.650 . 3.650 2.663 2.621 2.697 . 0 0 "[ . 1 . 2]" 1
1801 1 61 TYR H 1 64 ARG H 5.320 . 5.320 4.842 4.689 4.945 . 0 0 "[ . 1 . 2]" 1
1802 1 58 GLY H 1 62 GLU QB . . 5.100 2.970 2.776 3.126 . 0 0 "[ . 1 . 2]" 1
1803 1 57 PHE HB2 1 58 GLY H 4.740 . 4.740 1.989 1.687 2.331 . 0 0 "[ . 1 . 2]" 1
1804 1 57 PHE QD 1 58 GLY H 3.750 . 3.750 3.299 3.100 3.520 . 0 0 "[ . 1 . 2]" 1
1805 1 57 PHE QE 1 58 GLY H 6.000 . 6.000 5.492 5.214 5.698 . 0 0 "[ . 1 . 2]" 1
1806 1 57 PHE H 1 58 GLY H 3.980 . 3.980 2.640 2.123 3.210 . 0 0 "[ . 1 . 2]" 1
1807 1 56 HIS H 1 57 PHE H 5.050 . 5.050 4.588 4.491 4.638 . 0 0 "[ . 1 . 2]" 1
1808 1 45 MET ME 1 46 LEU H 4.830 . 4.830 3.293 3.222 3.385 . 0 0 "[ . 1 . 2]" 1
1809 1 45 MET H 1 45 MET HG3 4.500 . 4.500 3.173 3.002 3.227 . 0 0 "[ . 1 . 2]" 1
1810 1 44 TYR H 1 98 ILE MG 5.660 . 5.660 4.986 4.831 5.198 . 0 0 "[ . 1 . 2]" 1
1811 1 38 VAL HB 1 40 GLY H 5.110 . 5.110 2.647 2.579 2.722 . 0 0 "[ . 1 . 2]" 1
1812 1 37 VAL H 1 45 MET HB2 5.650 . 5.650 5.278 5.177 5.464 . 0 0 "[ . 1 . 2]" 1
1813 1 35 GLY H 1 35 GLY HA3 3.000 . 3.000 2.398 2.339 2.506 . 0 0 "[ . 1 . 2]" 1
1814 1 35 GLY H 1 45 MET HB3 4.920 . 4.920 4.967 4.872 5.181 0.261 3 0 "[ . 1 . 2]" 1
1815 1 26 LYS HB2 1 27 HIS H 4.900 . 4.900 3.725 3.309 4.098 . 0 0 "[ . 1 . 2]" 1
1816 1 89 ASN HA 1 89 ASN HD21 4.870 . 4.870 4.208 4.101 4.265 . 0 0 "[ . 1 . 2]" 1
1817 1 12 HIS HB2 1 15 TRP HE1 6.000 . 6.000 4.493 3.512 6.006 0.006 15 0 "[ . 1 . 2]" 1
1818 1 12 HIS HB3 1 15 TRP HE1 6.000 . 6.000 5.345 3.691 6.006 0.006 14 0 "[ . 1 . 2]" 1
1819 1 15 TRP HA 1 15 TRP HD1 4.950 . 4.950 4.317 3.352 4.479 . 0 0 "[ . 1 . 2]" 1
1820 1 41 LEU HA 1 44 TYR HD2 4.900 . 4.900 4.274 4.156 4.420 . 0 0 "[ . 1 . 2]" 1
1821 1 35 GLY HA3 1 44 TYR HD1 5.820 . 5.820 4.285 4.061 4.433 . 0 0 "[ . 1 . 2]" 1
1822 1 44 TYR HB2 1 44 TYR HD2 3.660 . 3.660 2.352 2.339 2.369 . 0 0 "[ . 1 . 2]" 1
1823 1 44 TYR HD2 1 78 TYR HB3 5.180 . 5.180 4.842 4.676 4.991 . 0 0 "[ . 1 . 2]" 1
1824 1 41 LEU HB2 1 44 TYR HD2 4.300 . 4.300 3.576 3.445 3.708 . 0 0 "[ . 1 . 2]" 1
1825 1 44 TYR HD2 1 98 ILE HG13 4.730 . 4.730 3.476 3.216 3.810 . 0 0 "[ . 1 . 2]" 1
1826 1 41 LEU MD1 1 44 TYR HD2 5.160 . 5.160 2.703 2.431 3.128 . 0 0 "[ . 1 . 2]" 1
1827 1 55 ILE HA 1 56 HIS HD2 4.770 . 4.770 4.027 3.156 4.472 . 0 0 "[ . 1 . 2]" 1
1828 1 56 HIS HA 1 56 HIS HD2 4.460 . 4.460 2.585 2.328 3.355 . 0 0 "[ . 1 . 2]" 1
1829 1 73 TYR HE2 1 114 PHE HD2 4.840 . 4.840 4.778 4.495 4.849 0.009 10 0 "[ . 1 . 2]" 1
1830 1 114 PHE HD2 1 119 VAL HA 4.760 . 4.760 2.873 2.615 3.142 . 0 0 "[ . 1 . 2]" 1
1831 1 114 PHE HB3 1 114 PHE HD2 3.820 . 3.820 2.342 2.308 2.385 . 0 0 "[ . 1 . 2]" 1
1832 1 112 GLU HG3 1 114 PHE HD1 4.400 . 4.400 2.528 2.096 3.893 . 0 0 "[ . 1 . 2]" 1
1833 1 114 PHE HD2 1 122 MET ME 3.670 . 3.670 2.526 2.307 2.919 . 0 0 "[ . 1 . 2]" 1
1834 1 73 TYR HD2 1 74 PRO HD2 4.120 . 4.120 2.632 2.376 2.831 . 0 0 "[ . 1 . 2]" 1
1835 1 57 PHE QE 1 124 ARG HD2 4.210 . 4.210 2.329 2.153 2.612 . 0 0 "[ . 1 . 2]" 1
1836 1 57 PHE QE 1 121 MET HB3 5.170 . 5.170 2.921 2.727 3.284 . 0 0 "[ . 1 . 2]" 1
1837 1 73 TYR HD2 1 122 MET HB2 5.440 . 5.440 2.773 2.472 3.025 . 0 0 "[ . 1 . 2]" 1
1838 1 57 PHE QE 1 120 LYS HD2 5.270 . 5.270 4.819 3.852 5.484 0.214 19 0 "[ . 1 . 2]" 1
1839 1 73 TYR HD2 1 122 MET ME 4.000 . 4.000 3.071 2.658 3.486 . 0 0 "[ . 1 . 2]" 1
1840 1 72 ARG H 1 73 TYR HD1 4.490 . 4.490 3.099 2.893 3.292 . 0 0 "[ . 1 . 2]" 1
1841 1 57 PHE HZ 1 121 MET HB3 4.860 . 4.860 4.116 3.928 4.327 . 0 0 "[ . 1 . 2]" 1
1842 1 57 PHE HZ 1 124 ARG HB3 4.850 . 4.850 2.798 2.469 3.148 . 0 0 "[ . 1 . 2]" 1
1843 1 57 PHE HZ 1 124 ARG HB2 4.920 . 4.920 3.839 3.493 4.320 . 0 0 "[ . 1 . 2]" 1
1844 1 55 ILE MD 1 57 PHE HZ 5.700 . 5.700 5.310 5.079 5.482 . 0 0 "[ . 1 . 2]" 1
1845 1 61 TYR QD 1 62 GLU QB . . 4.000 3.590 3.173 3.833 . 0 0 "[ . 1 . 2]" 1
1846 1 61 TYR HB2 1 61 TYR QD 3.380 . 3.380 2.502 2.440 2.565 . 0 0 "[ . 1 . 2]" 1
1847 1 61 TYR HB3 1 61 TYR QD 3.440 . 3.440 2.388 2.354 2.448 . 0 0 "[ . 1 . 2]" 1
1848 1 59 SER H 1 61 TYR QD 5.050 . 5.050 4.990 4.739 5.019 . 0 0 "[ . 1 . 2]" 1
1849 1 66 TYR HE1 1 73 TYR HE2 4.610 . 4.610 3.917 3.393 4.597 . 0 0 "[ . 1 . 2]" 1
1850 1 66 TYR HE1 1 74 PRO HD2 5.490 . 5.490 5.367 4.932 5.804 0.314 6 0 "[ . 1 . 2]" 1
1851 1 66 TYR HE1 1 121 MET HB3 6.000 . 6.000 4.276 3.930 4.771 . 0 0 "[ . 1 . 2]" 1
1852 1 66 TYR HE1 1 122 MET HB2 6.000 . 6.000 4.793 4.415 5.057 . 0 0 "[ . 1 . 2]" 1
1853 1 54 ILE HG12 1 66 TYR HE2 5.120 . 5.120 4.506 4.398 4.663 . 0 0 "[ . 1 . 2]" 1
1854 1 65 TYR HD1 1 69 ASN H 4.950 . 4.950 4.578 4.404 4.743 . 0 0 "[ . 1 . 2]" 1
1855 1 45 MET HA 1 78 TYR HD2 5.810 . 5.810 4.930 4.743 5.167 . 0 0 "[ . 1 . 2]" 1
1856 1 65 TYR HD2 1 118 ASP HA 6.000 . 6.000 5.034 4.676 5.328 . 0 0 "[ . 1 . 2]" 1
1857 1 65 TYR HD2 1 66 TYR HA 5.260 . 5.260 4.099 3.800 4.277 . 0 0 "[ . 1 . 2]" 1
1858 1 65 TYR HD1 1 66 TYR HA 5.550 . 5.550 5.063 4.832 5.254 . 0 0 "[ . 1 . 2]" 1
1859 1 45 MET HG3 1 79 TYR HD1 4.540 . 4.540 2.398 2.335 2.491 . 0 0 "[ . 1 . 2]" 1
1860 1 78 TYR HD1 1 99 THR MG 4.170 . 4.170 2.335 2.134 2.527 . 0 0 "[ . 1 . 2]" 1
1861 1 65 TYR HD2 1 117 THR MG 4.350 . 4.350 4.379 4.013 4.565 0.215 15 0 "[ . 1 . 2]" 1
1862 1 65 TYR HE1 1 69 ASN H 5.570 . 5.570 5.306 5.040 5.494 . 0 0 "[ . 1 . 2]" 1
1863 1 65 TYR HE1 1 69 ASN HD22 4.230 . 4.230 2.721 2.482 3.053 . 0 0 "[ . 1 . 2]" 1
1864 1 65 TYR HA 1 65 TYR HE1 5.650 . 5.650 4.860 4.757 5.128 . 0 0 "[ . 1 . 2]" 1
1865 1 65 TYR HE1 1 69 ASN HB2 4.590 . 4.590 3.868 3.388 4.348 . 0 0 "[ . 1 . 2]" 1
1866 1 65 TYR HE1 1 69 ASN HB3 5.030 . 5.030 4.289 3.740 4.877 . 0 0 "[ . 1 . 2]" 1
1867 1 62 GLU QG 1 65 TYR HE2 4.710 . 4.710 4.566 4.445 4.594 . 0 0 "[ . 1 . 2]" 1
1868 1 66 TYR HD1 1 73 TYR HD1 4.930 . 4.930 4.667 4.240 5.117 0.187 17 0 "[ . 1 . 2]" 1
1869 1 66 TYR HD1 1 73 TYR HD2 5.150 . 5.150 4.121 3.775 4.369 . 0 0 "[ . 1 . 2]" 1
1870 1 66 TYR HA 1 66 TYR HD1 4.070 . 4.070 2.965 2.804 3.090 . 0 0 "[ . 1 . 2]" 1
1871 1 66 TYR HD2 1 67 ARG HD2 5.110 . 5.110 4.716 3.995 5.119 0.009 3 0 "[ . 1 . 2]" 1
1872 1 66 TYR HD1 1 121 MET HB3 5.000 . 5.000 2.826 2.484 3.228 . 0 0 "[ . 1 . 2]" 1
1873 1 66 TYR HD1 1 121 MET HB2 4.370 . 4.370 3.205 2.890 3.576 . 0 0 "[ . 1 . 2]" 1
1874 1 73 TYR HE2 1 122 MET HA 5.160 . 5.160 3.576 3.295 3.935 . 0 0 "[ . 1 . 2]" 1
1875 1 66 TYR HA 1 73 TYR HE1 4.660 . 4.660 3.623 3.303 4.058 . 0 0 "[ . 1 . 2]" 1
1876 1 73 TYR HA 1 73 TYR HE1 6.000 . 6.000 5.116 4.963 5.260 . 0 0 "[ . 1 . 2]" 1
1877 1 73 TYR HA 1 73 TYR HE2 6.000 . 6.000 5.153 4.984 5.237 . 0 0 "[ . 1 . 2]" 1
1878 1 66 TYR HD1 1 73 TYR HE1 4.580 . 4.580 3.994 3.622 4.384 . 0 0 "[ . 1 . 2]" 1
1879 1 66 TYR HD1 1 73 TYR HE2 4.760 . 4.760 3.357 3.140 3.810 . 0 0 "[ . 1 . 2]" 1
1880 1 78 TYR HA 1 78 TYR HD2 4.960 . 4.960 3.454 3.350 3.558 . 0 0 "[ . 1 . 2]" 1
1881 1 61 TYR QE 1 62 GLU QG 4.730 . 4.730 3.581 3.322 3.967 . 0 0 "[ . 1 . 2]" 1
1882 1 77 VAL HB 1 78 TYR HD1 4.820 . 4.820 4.263 4.200 4.368 . 0 0 "[ . 1 . 2]" 1
1883 1 47 GLY HA3 1 79 TYR HE1 4.540 . 4.540 3.934 3.705 4.302 . 0 0 "[ . 1 . 2]" 1
1884 1 47 GLY HA3 1 79 TYR HE2 4.760 . 4.760 3.630 3.199 3.847 . 0 0 "[ . 1 . 2]" 1
1885 1 50 MET ME 1 79 TYR HE2 5.130 . 5.130 3.230 2.652 3.686 . 0 0 "[ . 1 . 2]" 1
1886 1 45 MET ME 1 79 TYR HE1 4.420 . 4.420 2.154 2.077 2.227 . 0 0 "[ . 1 . 2]" 1
1887 1 82 MET HA 1 91 PHE QD 6.000 . 6.000 3.589 3.161 4.477 . 0 0 "[ . 1 . 2]" 1
1888 1 90 ASN QB 1 91 PHE QD 6.000 . 6.000 4.792 4.596 5.072 . 0 0 "[ . 1 . 2]" 1
1889 1 73 TYR HD1 1 114 PHE HE2 5.870 . 5.870 4.857 4.595 5.220 . 0 0 "[ . 1 . 2]" 1
1890 1 73 TYR HD2 1 114 PHE HE2 6.000 . 6.000 3.917 3.626 4.299 . 0 0 "[ . 1 . 2]" 1
1891 1 74 PRO HD2 1 114 PHE HE2 6.000 . 6.000 4.762 4.305 5.180 . 0 0 "[ . 1 . 2]" 1
1892 1 74 PRO HD3 1 114 PHE HE2 6.000 . 6.000 4.917 4.534 5.328 . 0 0 "[ . 1 . 2]" 1
1893 1 112 GLU HG2 1 114 PHE HE1 4.880 . 4.880 2.624 2.270 2.800 . 0 0 "[ . 1 . 2]" 1
1894 1 114 PHE HE2 1 122 MET ME 4.920 . 4.920 2.150 2.053 2.274 . 0 0 "[ . 1 . 2]" 1
1895 1 114 PHE HE2 1 119 VAL MG1 5.510 . 5.510 4.146 3.996 4.325 . 0 0 "[ . 1 . 2]" 1
1896 1 134 TYR QE 1 138 SER HA 6.000 . 6.000 6.752 6.108 7.264 1.264 18 13 "[ ***. ** **- ***+ *]" 1
1897 1 134 TYR QE 1 135 GLU HG2 4.970 . 4.970 4.094 3.507 4.520 . 0 0 "[ . 1 . 2]" 1
1898 1 141 TYR HD1 1 142 TYR HA 5.050 . 5.050 4.840 4.810 4.857 . 0 0 "[ . 1 . 2]" 1
1899 1 82 MET ME 1 141 TYR HD1 5.210 . 5.210 3.775 3.079 4.612 . 0 0 "[ . 1 . 2]" 1
1900 1 139 GLN HA 1 142 TYR HD2 4.240 . 4.240 3.333 3.083 3.495 . 0 0 "[ . 1 . 2]" 1
1901 1 142 TYR HB2 1 142 TYR HD1 3.560 . 3.560 2.608 2.566 2.669 . 0 0 "[ . 1 . 2]" 1
1902 1 142 TYR HB3 1 142 TYR HD2 3.510 . 3.510 2.363 2.340 2.382 . 0 0 "[ . 1 . 2]" 1
1903 1 142 TYR HD2 1 143 GLN HB2 4.780 . 4.780 3.291 2.832 3.835 . 0 0 "[ . 1 . 2]" 1
1904 1 133 GLN QE 1 134 TYR QD 6.000 . 6.000 5.002 4.288 5.224 . 0 0 "[ . 1 . 2]" 1
1905 1 44 TYR HD2 1 79 TYR HA 5.740 . 5.740 5.589 5.387 5.936 0.196 14 0 "[ . 1 . 2]" 1
1906 1 41 LEU HA 1 44 TYR HE2 5.560 . 5.560 5.119 4.919 5.376 . 0 0 "[ . 1 . 2]" 1
1907 1 44 TYR HE2 1 98 ILE HG13 4.590 . 4.590 4.000 3.709 4.102 . 0 0 "[ . 1 . 2]" 1
1908 1 54 ILE MG 1 56 HIS HD2 4.560 . 4.560 2.783 2.425 3.193 . 0 0 "[ . 1 . 2]" 1
1909 1 66 TYR HE1 1 73 TYR HD2 3.740 . 3.740 3.155 2.750 3.743 0.003 6 0 "[ . 1 . 2]" 1
1910 1 65 TYR HE2 1 121 MET HG3 3.600 . 3.600 2.872 2.131 3.509 . 0 0 "[ . 1 . 2]" 1
1911 1 62 GLU HA 1 65 TYR HE2 5.830 . 5.830 5.419 5.285 5.587 . 0 0 "[ . 1 . 2]" 1
1912 1 65 TYR HE1 1 66 TYR HA 5.090 . 5.090 5.486 5.063 5.721 0.631 13 8 "[ * . **1- + .* **]" 1
1913 1 69 ASN HB2 1 73 TYR HE1 4.850 . 4.850 2.756 2.530 3.123 . 0 0 "[ . 1 . 2]" 1
1914 1 69 ASN HB3 1 73 TYR HE1 5.220 . 5.220 2.248 2.150 2.370 . 0 0 "[ . 1 . 2]" 1
1915 1 73 TYR HE2 1 121 MET HB2 4.300 . 4.300 2.170 2.070 2.457 . 0 0 "[ . 1 . 2]" 1
1916 1 73 TYR HE2 1 122 MET HG2 4.500 . 4.500 3.947 3.589 4.251 . 0 0 "[ . 1 . 2]" 1
1917 1 73 TYR HE2 1 122 MET ME 4.050 . 4.050 3.080 2.508 3.440 . 0 0 "[ . 1 . 2]" 1
1918 1 57 PHE QD 1 121 MET HA 4.660 . 4.660 4.096 3.852 4.369 . 0 0 "[ . 1 . 2]" 1
1919 1 114 PHE HD2 1 118 ASP HA 4.750 . 4.750 4.626 4.290 4.808 0.058 14 0 "[ . 1 . 2]" 1
1920 1 73 TYR HE1 1 114 PHE HZ 4.460 . 4.460 3.177 2.922 3.707 . 0 0 "[ . 1 . 2]" 1
1921 1 78 TYR HE1 1 99 THR MG 3.840 . 3.840 3.431 3.121 3.755 . 0 0 "[ . 1 . 2]" 1
1922 1 61 TYR QE 1 65 TYR HB2 4.890 . 4.890 4.058 3.555 4.280 . 0 0 "[ . 1 . 2]" 1
1923 1 78 TYR HE1 1 99 THR HA 4.390 . 4.390 4.480 4.324 4.500 0.110 10 0 "[ . 1 . 2]" 1
1924 1 114 PHE HZ 1 122 MET ME 4.480 . 4.480 3.795 3.431 3.984 . 0 0 "[ . 1 . 2]" 1
1925 1 112 GLU HG2 1 114 PHE HZ 5.250 . 5.250 4.393 4.060 4.975 . 0 0 "[ . 1 . 2]" 1
1926 1 3 MET H 1 3 MET QB 3.500 . 3.500 2.739 2.282 3.268 . 0 0 "[ . 1 . 2]" 1
1927 1 3 MET H 1 3 MET QG 4.130 . 4.130 2.915 2.122 4.002 . 0 0 "[ . 1 . 2]" 1
1928 1 3 MET HA 1 3 MET QG 3.980 . 3.980 2.899 2.397 3.520 . 0 0 "[ . 1 . 2]" 1
1929 1 3 MET QB 1 4 ASP H 4.950 . 4.950 2.930 2.319 3.703 . 0 0 "[ . 1 . 2]" 1
1930 1 4 ASP H 1 4 ASP QB 3.840 . 3.840 2.520 2.299 2.947 . 0 0 "[ . 1 . 2]" 1
1931 1 4 ASP HA 1 5 PRO QD 3.500 . 3.500 2.251 2.158 2.323 . 0 0 "[ . 1 . 2]" 1
1932 1 4 ASP QB 1 5 PRO HB2 5.630 . 5.630 5.497 5.351 5.652 0.022 19 0 "[ . 1 . 2]" 1
1933 1 4 ASP QB 1 5 PRO HG2 4.630 . 4.630 4.103 3.949 4.385 . 0 0 "[ . 1 . 2]" 1
1934 1 4 ASP QB 1 5 PRO QD 4.640 . 4.640 2.358 2.176 2.598 . 0 0 "[ . 1 . 2]" 1
1935 1 6 GLY QA 1 7 GLN H 3.460 . 3.460 2.344 2.118 2.840 . 0 0 "[ . 1 . 2]" 1
1936 1 7 GLN H 1 7 GLN QB 3.320 . 3.320 2.675 2.261 3.303 . 0 0 "[ . 1 . 2]" 1
1937 1 7 GLN QB 1 8 GLY QA 5.060 . 5.060 4.045 3.570 4.488 . 0 0 "[ . 1 . 2]" 1
1938 1 11 THR HA 1 12 HIS QB 5.210 . 5.210 4.396 4.225 4.580 . 0 0 "[ . 1 . 2]" 1
1939 1 12 HIS QB 1 14 GLN HG3 4.900 . 4.900 3.415 2.306 4.373 . 0 0 "[ . 1 . 2]" 1
1940 1 12 HIS QB 1 14 GLN HE21 4.200 . 4.200 2.678 1.906 3.303 . 0 0 "[ . 1 . 2]" 1
1941 1 12 HIS QB 1 14 GLN HE22 4.440 . 4.440 3.853 2.986 4.384 . 0 0 "[ . 1 . 2]" 1
1942 1 12 HIS QB 1 15 TRP HD1 4.450 . 4.450 3.968 3.458 4.353 . 0 0 "[ . 1 . 2]" 1
1943 1 13 SER QB 1 14 GLN H 4.760 . 4.760 3.942 3.504 4.051 . 0 0 "[ . 1 . 2]" 1
1944 1 13 SER QB 1 14 GLN HG3 5.590 . 5.590 5.005 4.146 5.419 . 0 0 "[ . 1 . 2]" 1
1945 1 13 SER QB 1 14 GLN HE21 5.840 . 5.840 5.761 5.506 5.854 0.014 14 0 "[ . 1 . 2]" 1
1946 1 14 GLN HE21 1 15 TRP QB 4.710 . 4.710 3.863 2.829 4.614 . 0 0 "[ . 1 . 2]" 1
1947 1 14 GLN HE22 1 15 TRP QB 4.160 . 4.160 2.935 2.518 3.703 . 0 0 "[ . 1 . 2]" 1
1948 1 15 TRP H 1 15 TRP QB 3.770 . 3.770 3.053 2.394 3.292 . 0 0 "[ . 1 . 2]" 1
1949 1 15 TRP QB 1 15 TRP HE3 3.870 . 3.870 2.513 2.409 3.222 . 0 0 "[ . 1 . 2]" 1
1950 1 15 TRP QB 1 16 ASN H 4.820 . 4.820 2.609 2.344 3.465 . 0 0 "[ . 1 . 2]" 1
1951 1 16 ASN QB 1 17 LYS H 4.040 . 4.040 2.650 2.168 3.326 . 0 0 "[ . 1 . 2]" 1
1952 1 16 ASN QB 1 17 LYS HA 5.080 . 5.080 4.629 4.307 4.839 . 0 0 "[ . 1 . 2]" 1
1953 1 16 ASN QB 1 17 LYS QB 5.470 . 5.470 4.448 3.710 4.868 . 0 0 "[ . 1 . 2]" 1
1954 1 16 ASN QB 1 17 LYS QG 4.940 . 4.940 4.430 3.389 5.230 0.290 6 0 "[ . 1 . 2]" 1
1955 1 16 ASN QD 1 17 LYS QG 5.840 . 5.840 4.472 2.296 5.741 . 0 0 "[ . 1 . 2]" 1
1956 1 17 LYS H 1 17 LYS QB 3.370 . 3.370 2.502 2.325 3.139 . 0 0 "[ . 1 . 2]" 1
1957 1 17 LYS H 1 17 LYS QG 3.910 . 3.910 2.491 2.074 3.340 . 0 0 "[ . 1 . 2]" 1
1958 1 17 LYS QB 1 18 PRO HD2 3.810 . 3.810 2.440 2.185 2.910 . 0 0 "[ . 1 . 2]" 1
1959 1 17 LYS QB 1 18 PRO HD3 4.080 . 4.080 3.616 3.305 3.988 . 0 0 "[ . 1 . 2]" 1
1960 1 17 LYS QG 1 18 PRO HD2 5.010 . 5.010 4.084 2.088 4.394 . 0 0 "[ . 1 . 2]" 1
1961 1 20 LYS HA 1 20 LYS QG 3.960 . 3.960 2.543 2.326 3.015 . 0 0 "[ . 1 . 2]" 1
1962 1 20 LYS HA 1 20 LYS QD 5.100 . 5.100 3.506 2.112 4.247 . 0 0 "[ . 1 . 2]" 1
1963 1 20 LYS HA 1 21 PRO QG 5.100 . 5.100 4.033 3.776 4.148 . 0 0 "[ . 1 . 2]" 1
1964 1 20 LYS QB 1 21 PRO HD2 4.180 . 4.180 3.788 3.671 4.043 . 0 0 "[ . 1 . 2]" 1
1965 1 20 LYS QG 1 21 PRO HD2 4.580 . 4.580 2.471 2.103 3.588 . 0 0 "[ . 1 . 2]" 1
1966 1 21 PRO QB 1 22 LYS H 4.140 . 4.140 2.676 2.401 2.983 . 0 0 "[ . 1 . 2]" 1
1967 1 21 PRO QG 1 22 LYS H 5.330 . 5.330 4.176 3.931 4.416 . 0 0 "[ . 1 . 2]" 1
1968 1 22 LYS HB2 1 24 ASN QD 4.720 . 4.720 3.308 2.066 4.518 . 0 0 "[ . 1 . 2]" 1
1969 1 22 LYS HB3 1 22 LYS QD 3.330 . 3.330 2.459 2.276 2.925 . 0 0 "[ . 1 . 2]" 1
1970 1 22 LYS HB3 1 22 LYS QE 4.890 . 4.890 3.774 2.125 4.271 . 0 0 "[ . 1 . 2]" 1
1971 1 22 LYS HB3 1 24 ASN QD 4.480 . 4.480 2.992 2.180 3.886 . 0 0 "[ . 1 . 2]" 1
1972 1 22 LYS HG2 1 24 ASN QD 5.680 . 5.680 4.949 4.140 5.709 0.029 6 0 "[ . 1 . 2]" 1
1973 1 22 LYS HG3 1 24 ASN QD 5.770 . 5.770 4.604 3.466 5.463 . 0 0 "[ . 1 . 2]" 1
1974 1 22 LYS QD 1 24 ASN QD 5.100 . 5.100 3.642 2.726 5.119 0.019 15 0 "[ . 1 . 2]" 1
1975 1 23 THR HB 1 24 ASN QD 5.840 . 5.840 5.267 4.908 5.628 . 0 0 "[ . 1 . 2]" 1
1976 1 24 ASN H 1 24 ASN QD 5.660 . 5.660 3.721 2.892 4.308 . 0 0 "[ . 1 . 2]" 1
1977 1 24 ASN H 1 25 MET QG 5.490 . 5.490 3.679 2.663 5.099 . 0 0 "[ . 1 . 2]" 1
1978 1 24 ASN HA 1 24 ASN QD 4.300 . 4.300 2.832 1.995 4.146 . 0 0 "[ . 1 . 2]" 1
1979 1 25 MET H 1 25 MET QB 3.870 . 3.870 2.690 2.368 3.196 . 0 0 "[ . 1 . 2]" 1
1980 1 25 MET H 1 25 MET QG 3.990 . 3.990 2.585 2.160 3.224 . 0 0 "[ . 1 . 2]" 1
1981 1 25 MET HA 1 26 LYS QD 4.100 . 4.100 4.825 4.445 5.171 1.071 14 16 "[*****-** *** +*** *2]" 1
1982 1 25 MET HA 1 26 LYS QE 5.840 . 5.840 4.740 4.158 4.974 . 0 0 "[ . 1 . 2]" 1
1983 1 25 MET QG 1 26 LYS H 5.440 . 5.440 3.883 3.135 4.333 . 0 0 "[ . 1 . 2]" 1
1984 1 26 LYS H 1 26 LYS QD 3.940 . 3.940 4.092 3.862 4.391 0.451 14 0 "[ . 1 . 2]" 1
1985 1 26 LYS HA 1 26 LYS QD 2.910 . 2.910 2.161 2.102 2.260 . 0 0 "[ . 1 . 2]" 1
1986 1 26 LYS HA 1 26 LYS QE 4.160 . 4.160 3.995 3.152 4.066 . 0 0 "[ . 1 . 2]" 1
1987 1 26 LYS QE 1 26 LYS HG3 3.410 . 3.410 2.623 2.288 3.352 . 0 0 "[ . 1 . 2]" 1
1988 1 27 HIS HA 1 28 MET QG 4.780 . 4.780 3.691 3.220 4.379 . 0 0 "[ . 1 . 2]" 1
1989 1 27 HIS QB 1 29 ALA MB 5.540 . 5.540 3.623 3.087 4.680 . 0 0 "[ . 1 . 2]" 1
1990 1 28 MET H 1 28 MET QG 4.860 . 4.860 2.645 1.946 3.296 . 0 0 "[ . 1 . 2]" 1
1991 1 28 MET QB 1 29 ALA H 4.020 . 4.020 3.419 2.387 4.035 0.015 6 0 "[ . 1 . 2]" 1
1992 1 28 MET QB 1 30 GLY H 4.810 . 4.810 3.510 2.754 4.725 . 0 0 "[ . 1 . 2]" 1
1993 1 28 MET QB 1 31 ALA MB 3.520 . 3.520 2.881 2.199 3.669 0.149 3 0 "[ . 1 . 2]" 1
1994 1 28 MET QG 1 29 ALA H 5.140 . 5.140 4.100 2.655 4.671 . 0 0 "[ . 1 . 2]" 1
1995 1 30 GLY QA 1 31 ALA H 3.200 . 3.200 2.892 2.808 2.973 . 0 0 "[ . 1 . 2]" 1
1996 1 50 MET H 1 50 MET QG 4.300 . 4.300 2.652 1.948 3.165 . 0 0 "[ . 1 . 2]" 1
1997 1 50 MET ME 1 50 MET QG 2.960 . 2.960 2.362 2.263 2.438 . 0 0 "[ . 1 . 2]" 1
1998 1 50 MET QG 1 51 SER H 4.000 . 4.000 3.478 3.279 3.701 . 0 0 "[ . 1 . 2]" 1
1999 1 50 MET QG 1 51 SER HA 5.280 . 5.280 4.470 4.242 4.691 . 0 0 "[ . 1 . 2]" 1
2000 1 50 MET QG 1 51 SER HB3 5.490 . 5.490 4.728 4.448 4.953 . 0 0 "[ . 1 . 2]" 1
2001 1 50 MET QG 1 53 PRO HD3 4.950 . 4.950 4.441 3.940 4.961 0.011 1 0 "[ . 1 . 2]" 1
2002 1 50 MET QG 1 77 VAL QG 5.170 . 5.170 3.576 3.178 3.933 . 0 0 "[ . 1 . 2]" 1
2003 1 52 ARG H 1 52 ARG QD 4.610 . 4.610 3.484 2.084 4.329 . 0 0 "[ . 1 . 2]" 1
2004 1 52 ARG HA 1 52 ARG QD 5.060 . 5.060 3.228 2.127 4.230 . 0 0 "[ . 1 . 2]" 1
2005 1 52 ARG HB3 1 125 VAL QG 3.880 . 3.880 2.944 2.297 3.384 . 0 0 "[ . 1 . 2]" 1
2006 1 52 ARG QD 1 75 ASN H 5.840 . 5.840 4.883 4.317 5.629 . 0 0 "[ . 1 . 2]" 1
2007 1 52 ARG QD 1 75 ASN QD 5.100 . 5.100 3.442 2.580 4.818 . 0 0 "[ . 1 . 2]" 1
2008 1 53 PRO HB2 1 125 VAL QG 4.510 . 4.510 4.112 3.752 4.245 . 0 0 "[ . 1 . 2]" 1
2009 1 53 PRO HG2 1 125 VAL QG 3.660 . 3.660 2.806 2.074 3.042 . 0 0 "[ . 1 . 2]" 1
2010 1 53 PRO HD2 1 125 VAL QG 4.650 . 4.650 2.940 2.167 3.214 . 0 0 "[ . 1 . 2]" 1
2011 1 54 ILE HA 1 125 VAL QG 4.020 . 4.020 3.331 3.151 3.475 . 0 0 "[ . 1 . 2]" 1
2012 1 55 ILE H 1 125 VAL QG 4.890 . 4.890 2.670 2.536 2.835 . 0 0 "[ . 1 . 2]" 1
2013 1 55 ILE HA 1 125 VAL QG 5.580 . 5.580 4.462 4.352 4.535 . 0 0 "[ . 1 . 2]" 1
2014 1 55 ILE MG 1 125 VAL QG 4.520 . 4.520 3.845 3.739 3.907 . 0 0 "[ . 1 . 2]" 1
2015 1 55 ILE HG12 1 125 VAL QG 4.110 . 4.110 2.194 2.091 2.294 . 0 0 "[ . 1 . 2]" 1
2016 1 55 ILE HG13 1 125 VAL QG 4.250 . 4.250 2.945 2.840 3.042 . 0 0 "[ . 1 . 2]" 1
2017 1 55 ILE MD 1 125 VAL QG 4.010 . 4.010 3.647 3.273 3.762 . 0 0 "[ . 1 . 2]" 1
2018 1 57 PHE HZ 1 125 VAL QG 4.410 . 4.410 2.342 2.188 2.471 . 0 0 "[ . 1 . 2]" 1
2019 1 59 SER QB 1 60 ASP H 3.690 . 3.690 2.518 2.100 3.313 . 0 0 "[ . 1 . 2]" 1
2020 1 59 SER QB 1 60 ASP QB 4.950 . 4.950 3.895 3.508 4.694 . 0 0 "[ . 1 . 2]" 1
2021 1 59 SER QB 1 61 TYR H 4.420 . 4.420 2.531 2.312 2.833 . 0 0 "[ . 1 . 2]" 1
2022 1 59 SER QB 1 61 TYR HB2 4.850 . 4.850 3.782 3.519 4.168 . 0 0 "[ . 1 . 2]" 1
2023 1 59 SER QB 1 61 TYR HB3 4.710 . 4.710 2.597 2.303 2.818 . 0 0 "[ . 1 . 2]" 1
2024 1 59 SER QB 1 61 TYR QD 5.570 . 5.570 3.939 3.122 4.271 . 0 0 "[ . 1 . 2]" 1
2025 1 59 SER QB 1 62 GLU H 4.970 . 4.970 2.898 2.386 3.210 . 0 0 "[ . 1 . 2]" 1
2026 1 60 ASP H 1 60 ASP QB 3.340 . 3.340 2.250 2.203 2.391 . 0 0 "[ . 1 . 2]" 1
2027 1 60 ASP QB 1 61 TYR H 3.610 . 3.610 2.735 2.608 3.014 . 0 0 "[ . 1 . 2]" 1
2028 1 60 ASP QB 1 61 TYR HA 4.900 . 4.900 4.196 4.161 4.256 . 0 0 "[ . 1 . 2]" 1
2029 1 60 ASP QB 1 61 TYR HB3 5.510 . 5.510 4.880 4.756 5.064 . 0 0 "[ . 1 . 2]" 1
2030 1 64 ARG H 1 64 ARG QD 4.870 . 4.870 4.274 4.073 4.486 . 0 0 "[ . 1 . 2]" 1
2031 1 64 ARG HB2 1 64 ARG QD 3.370 . 3.370 2.234 1.931 2.848 . 0 0 "[ . 1 . 2]" 1
2032 1 64 ARG QD 1 65 TYR H 4.560 . 4.560 3.615 2.990 4.394 . 0 0 "[ . 1 . 2]" 1
2033 1 64 ARG QD 1 68 GLU H 4.910 . 4.910 4.617 4.063 4.957 0.047 2 0 "[ . 1 . 2]" 1
2034 1 64 ARG QD 1 68 GLU HG2 5.210 . 5.210 4.397 3.711 5.214 0.004 4 0 "[ . 1 . 2]" 1
2035 1 64 ARG QD 1 68 GLU HG3 4.600 . 4.600 3.380 2.601 4.023 . 0 0 "[ . 1 . 2]" 1
2036 1 66 TYR HB2 1 125 VAL QG 5.930 . 5.930 4.997 4.842 5.186 . 0 0 "[ . 1 . 2]" 1
2037 1 66 TYR HD2 1 125 VAL QG 5.020 . 5.020 4.379 4.228 4.506 . 0 0 "[ . 1 . 2]" 1
2038 1 66 TYR HE2 1 125 VAL QG 3.830 . 3.830 3.347 3.202 3.507 . 0 0 "[ . 1 . 2]" 1
2039 1 66 TYR HE1 1 125 VAL QG 4.150 . 4.150 2.871 2.703 3.169 . 0 0 "[ . 1 . 2]" 1
2040 1 66 TYR HD1 1 125 VAL QG 5.410 . 5.410 4.112 3.988 4.313 . 0 0 "[ . 1 . 2]" 1
2041 1 82 MET H 1 82 MET QG 4.110 . 4.110 2.318 1.969 3.993 . 0 0 "[ . 1 . 2]" 1
2042 1 82 MET HA 1 88 GLN QE 5.760 . 5.760 4.109 3.086 4.859 . 0 0 "[ . 1 . 2]" 1
2043 1 82 MET QB 1 82 MET ME 3.230 . 3.230 2.285 2.181 2.438 . 0 0 "[ . 1 . 2]" 1
2044 1 82 MET QB 1 88 GLN QE 5.170 . 5.170 2.463 1.914 3.875 . 0 0 "[ . 1 . 2]" 1
2045 1 82 MET QB 1 91 PHE QE . . 4.750 3.024 2.714 3.835 . 0 0 "[ . 1 . 2]" 1
2046 1 82 MET QB 1 91 PHE HZ 4.830 . 4.830 2.561 2.070 3.263 . 0 0 "[ . 1 . 2]" 1
2047 1 82 MET QB 1 91 PHE QD 5.840 . 5.840 4.321 3.776 5.212 . 0 0 "[ . 1 . 2]" 1
2048 1 82 MET ME 1 82 MET QG 3.170 . 3.170 2.420 2.315 2.531 . 0 0 "[ . 1 . 2]" 1
2049 1 82 MET QG 1 88 GLN QE 5.230 . 5.230 3.304 1.916 4.381 . 0 0 "[ . 1 . 2]" 1
2050 1 82 MET QG 1 91 PHE HZ 4.930 . 4.930 4.419 2.398 4.881 . 0 0 "[ . 1 . 2]" 1
2051 1 82 MET ME 1 88 GLN QE 3.820 . 3.820 2.795 1.771 3.846 0.026 17 0 "[ . 1 . 2]" 1
2052 1 82 MET ME 1 138 SER QB 3.700 . 3.700 2.943 2.379 3.511 . 0 0 "[ . 1 . 2]" 1
2053 1 88 GLN H 1 88 GLN QB 3.730 . 3.730 2.255 2.034 2.561 . 0 0 "[ . 1 . 2]" 1
2054 1 88 GLN H 1 88 GLN QG 4.930 . 4.930 3.222 2.108 4.040 . 0 0 "[ . 1 . 2]" 1
2055 1 88 GLN QB 1 89 ASN H 3.810 . 3.810 2.590 2.397 2.727 . 0 0 "[ . 1 . 2]" 1
2056 1 88 GLN QB 1 89 ASN HB3 5.220 . 5.220 3.950 3.691 4.108 . 0 0 "[ . 1 . 2]" 1
2057 1 88 GLN QB 1 90 ASN H 5.540 . 5.540 4.543 4.298 4.708 . 0 0 "[ . 1 . 2]" 1
2058 1 88 GLN QB 1 134 TYR QD 5.790 . 5.790 3.915 2.784 4.912 . 0 0 "[ . 1 . 2]" 1
2059 1 88 GLN QB 1 134 TYR QE 4.390 . 4.390 2.572 2.012 3.882 . 0 0 "[ . 1 . 2]" 1
2060 1 88 GLN QG 1 89 ASN H 4.640 . 4.640 4.051 3.409 4.339 . 0 0 "[ . 1 . 2]" 1
2061 1 88 GLN QG 1 89 ASN HA 4.310 . 4.310 4.827 3.380 5.841 1.531 12 9 "[ * * 1 +**.-* **]" 1
2062 1 88 GLN QG 1 89 ASN HB3 5.740 . 5.740 5.334 4.183 5.864 0.124 19 0 "[ . 1 . 2]" 1
2063 1 88 GLN QG 1 91 PHE QE 5.100 . 5.100 3.277 2.049 4.526 . 0 0 "[ . 1 . 2]" 1
2064 1 88 GLN QG 1 138 SER QB 4.200 . 4.200 3.789 2.482 5.222 1.022 20 1 "[ . 1 . +]" 1
2065 1 88 GLN QE 1 138 SER HA 4.880 . 4.880 3.975 2.850 4.893 0.013 9 0 "[ . 1 . 2]" 1
2066 1 88 GLN QE 1 138 SER QB 4.610 . 4.610 3.105 2.129 4.283 . 0 0 "[ . 1 . 2]" 1
2067 1 92 VAL HA 1 94 ASP QB 5.840 . 5.840 5.213 4.985 5.538 . 0 0 "[ . 1 . 2]" 1
2068 1 92 VAL HA 1 130 CYS QB 4.720 . 4.720 3.600 3.375 3.737 . 0 0 "[ . 1 . 2]" 1
2069 1 92 VAL HB 1 130 CYS QB 5.560 . 5.560 4.628 4.452 4.763 . 0 0 "[ . 1 . 2]" 1
2070 1 92 VAL MG1 1 130 CYS QB 4.280 . 4.280 4.233 4.035 4.375 0.095 11 0 "[ . 1 . 2]" 1
2071 1 92 VAL MG2 1 130 CYS QB 3.500 . 3.500 2.108 2.046 2.156 . 0 0 "[ . 1 . 2]" 1
2072 1 93 HIS HA 1 130 CYS QB 4.850 . 4.850 4.871 4.297 5.190 0.340 8 0 "[ . 1 . 2]" 1
2073 1 94 ASP QB 1 95 CYS H 3.780 . 3.780 2.762 2.618 2.977 . 0 0 "[ . 1 . 2]" 1
2074 1 96 VAL H 1 130 CYS QB 5.020 . 5.020 3.702 3.559 3.866 . 0 0 "[ . 1 . 2]" 1
2075 1 96 VAL QG 1 130 CYS QB 4.110 . 4.110 1.937 1.866 2.070 . 0 0 "[ . 1 . 2]" 1
2076 1 98 ILE HA 1 101 LYS QE 5.250 . 5.250 4.173 3.395 5.116 . 0 0 "[ . 1 . 2]" 1
2077 1 100 ILE MG 1 101 LYS QE 4.930 . 4.930 4.743 4.337 5.151 0.221 20 0 "[ . 1 . 2]" 1
2078 1 101 LYS HA 1 101 LYS QE 3.960 . 3.960 4.359 3.683 4.494 0.534 17 6 "[ * ** * . + -]" 1
2079 1 101 LYS QE 1 101 LYS HG3 3.560 . 3.560 2.410 2.300 2.646 . 0 0 "[ . 1 . 2]" 1
2080 1 117 THR HA 1 120 LYS QE 4.870 . 4.870 3.115 2.391 4.231 . 0 0 "[ . 1 . 2]" 1
2081 1 117 THR MG 1 120 LYS QE 5.290 . 5.290 3.366 2.621 4.256 . 0 0 "[ . 1 . 2]" 1
2082 1 120 LYS HA 1 120 LYS QE 5.040 . 5.040 4.933 4.710 5.162 0.122 5 0 "[ . 1 . 2]" 1
2083 1 120 LYS HB2 1 120 LYS QE 3.480 . 3.480 2.815 2.499 3.215 . 0 0 "[ . 1 . 2]" 1
2084 1 120 LYS HB3 1 120 LYS QE 3.610 . 3.610 3.419 3.155 3.479 . 0 0 "[ . 1 . 2]" 1
2085 1 122 MET HA 1 125 VAL QG 3.780 . 3.780 2.168 1.979 2.903 . 0 0 "[ . 1 . 2]" 1
2086 1 124 ARG HB3 1 125 VAL QG 4.130 . 4.130 3.284 3.171 3.466 . 0 0 "[ . 1 . 2]" 1
2087 1 124 ARG HD2 1 125 VAL QG 5.940 . 5.940 4.465 4.173 4.832 . 0 0 "[ . 1 . 2]" 1
2088 1 125 VAL H 1 125 VAL QG 4.280 . 4.280 2.017 1.907 2.511 . 0 0 "[ . 1 . 2]" 1
2089 1 125 VAL QG 1 126 ILE H 4.550 . 4.550 2.570 2.371 3.204 . 0 0 "[ . 1 . 2]" 1
2090 1 125 VAL QG 1 126 ILE HA 3.930 . 3.930 3.600 3.299 3.673 . 0 0 "[ . 1 . 2]" 1
2091 1 127 GLU H 1 127 GLU QG 4.170 . 4.170 3.967 3.928 4.002 . 0 0 "[ . 1 . 2]" 1
2092 1 127 GLU HA 1 127 GLU QG 3.660 . 3.660 2.411 2.339 2.460 . 0 0 "[ . 1 . 2]" 1
2093 1 127 GLU HA 1 130 CYS QB 4.760 . 4.760 4.087 3.815 4.251 . 0 0 "[ . 1 . 2]" 1
2094 1 129 MET H 1 130 CYS QB 5.160 . 5.160 4.526 4.445 4.588 . 0 0 "[ . 1 . 2]" 1
2095 1 130 CYS H 1 130 CYS QB 3.750 . 3.750 2.175 2.101 2.276 . 0 0 "[ . 1 . 2]" 1
2096 1 130 CYS QB 1 131 ILE H 4.610 . 4.610 2.955 2.845 3.075 . 0 0 "[ . 1 . 2]" 1
2097 1 133 GLN QB 1 136 ARG QD 4.840 . 4.840 4.603 4.145 5.066 0.226 18 0 "[ . 1 . 2]" 1
2098 1 133 GLN HG3 1 138 SER QB 5.750 . 5.750 4.536 4.158 4.887 . 0 0 "[ . 1 . 2]" 1
2099 1 133 GLN QE 1 137 GLU QB 5.510 . 5.510 3.378 2.909 3.825 . 0 0 "[ . 1 . 2]" 1
2100 1 133 GLN QE 1 138 SER QB 4.670 . 4.670 3.366 2.881 3.831 . 0 0 "[ . 1 . 2]" 1
2101 1 134 TYR HA 1 138 SER QB 4.670 . 4.670 2.094 1.980 2.277 . 0 0 "[ . 1 . 2]" 1
2102 1 137 GLU QB 1 140 ALA MB 5.030 . 5.030 4.294 3.842 4.575 . 0 0 "[ . 1 . 2]" 1
2103 1 138 SER QB 1 139 GLN H 4.660 . 4.660 2.696 2.432 3.391 . 0 0 "[ . 1 . 2]" 1
2104 1 138 SER QB 1 139 GLN HB2 5.260 . 5.260 4.276 3.910 5.129 . 0 0 "[ . 1 . 2]" 1
2105 1 138 SER QB 1 141 TYR HD1 5.030 . 5.030 4.065 3.680 4.380 . 0 0 "[ . 1 . 2]" 1
2106 1 143 GLN HG2 1 144 ARG QD 5.840 . 5.840 3.559 2.651 4.358 . 0 0 "[ . 1 . 2]" 1
2107 1 144 ARG H 1 144 ARG QD 4.680 . 4.680 3.810 3.481 4.070 . 0 0 "[ . 1 . 2]" 1
2108 1 144 ARG H 1 145 GLY QA 5.450 . 5.450 4.403 4.257 4.658 . 0 0 "[ . 1 . 2]" 1
2109 1 144 ARG HA 1 144 ARG QD 3.430 . 3.430 2.115 2.046 2.208 . 0 0 "[ . 1 . 2]" 1
2110 1 144 ARG HB3 1 144 ARG QD 3.140 . 3.140 2.716 2.328 3.082 . 0 0 "[ . 1 . 2]" 1
2111 1 144 ARG HB3 1 145 GLY QA 5.840 . 5.840 4.478 4.174 4.658 . 0 0 "[ . 1 . 2]" 1
2112 1 144 ARG QD 1 145 GLY H 5.840 . 5.840 5.031 4.772 5.219 . 0 0 "[ . 1 . 2]" 1
2113 1 146 SER H 1 146 SER QB 3.540 . 3.540 2.612 2.248 3.380 . 0 0 "[ . 1 . 2]" 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 3
_Distance_constraint_stats_list.Viol_count 0
_Distance_constraint_stats_list.Viol_total 0.000
_Distance_constraint_stats_list.Viol_max 0.000
_Distance_constraint_stats_list.Viol_rms 0.0000
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0000
_Distance_constraint_stats_list.Viol_average_violations_only 0.0000
_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
1 95 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 130 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 95 CYS SG 1 130 CYS SG 2.020 . 2.120 2.025 2.022 2.030 . 0 0 "[ . 1 . 2]" 2
2 1 95 CYS SG 1 130 CYS CB 3.100 . 3.100 3.031 3.015 3.045 . 0 0 "[ . 1 . 2]" 2
3 1 95 CYS CB 1 130 CYS SG 3.100 . 3.100 3.050 3.022 3.072 . 0 0 "[ . 1 . 2]" 2
stop_
save_
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