NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
612384 |
5wqz   |
36037 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_5wqz
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 1372
_Distance_constraint_stats_list.Viol_count 2623
_Distance_constraint_stats_list.Viol_total 13419.676
_Distance_constraint_stats_list.Viol_max 1.731
_Distance_constraint_stats_list.Viol_rms 0.1135
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0245
_Distance_constraint_stats_list.Viol_average_violations_only 0.2558
_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 SER 0.439 0.262 20 0 "[ . 1 . 2]"
1 3 GLN 0.347 0.278 9 0 "[ . 1 . 2]"
1 4 ASN 0.844 0.262 20 0 "[ . 1 . 2]"
1 5 ARG 13.799 0.423 9 0 "[ . 1 . 2]"
1 6 GLN 5.561 0.249 11 0 "[ . 1 . 2]"
1 7 LEU 37.903 0.611 15 20 [********-*****+*****]
1 8 LEU 6.916 0.386 3 0 "[ . 1 . 2]"
1 9 TYR 11.067 0.510 9 1 "[ . +1 . 2]"
1 10 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 ARG 19.938 0.968 15 20 [**************+**-**]
1 12 GLU 3.647 0.296 8 0 "[ . 1 . 2]"
1 13 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 MET 0.041 0.024 10 0 "[ . 1 . 2]"
1 15 VAL 3.404 0.388 19 0 "[ . 1 . 2]"
1 16 SER 0.093 0.037 11 0 "[ . 1 . 2]"
1 17 LEU 1.715 0.163 15 0 "[ . 1 . 2]"
1 18 VAL 23.297 1.185 16 19 "[**********-* **+****]"
1 19 ARG 2.879 0.839 10 3 "[ . + - . * 2]"
1 20 SER 0.275 0.056 16 0 "[ . 1 . 2]"
1 21 LEU 1.849 0.209 15 0 "[ . 1 . 2]"
1 22 ASP 11.026 0.902 8 9 "[* **. +*** .- * 2]"
1 23 ARG 7.807 0.902 8 9 "[* **. +*** .- * 2]"
1 24 PRO 27.826 1.731 4 19 "[* *+***********-****]"
1 25 GLN 0.308 0.022 15 0 "[ . 1 . 2]"
1 26 GLU 30.559 0.805 6 19 "[*****+*****-****** *]"
1 27 ASN 14.373 0.427 14 0 "[ . 1 . 2]"
1 28 GLY 13.490 0.490 10 0 "[ . 1 . 2]"
1 29 LEU 43.046 0.819 6 19 "[*****+*****-****** *]"
1 30 PHE 27.675 0.805 6 19 "[*-***+************ *]"
1 31 SER 55.556 1.731 4 20 [***+******-*********]
1 32 GLN 39.746 1.046 9 20 [******-*+***********]
1 33 ASP 8.920 0.551 6 2 "[ .+ 1- . 2]"
1 34 VAL 13.954 0.605 17 2 "[ . 1 - + 2]"
1 35 LEU 5.827 0.367 10 0 "[ . 1 . 2]"
1 36 LEU 1.631 0.085 19 0 "[ . 1 . 2]"
1 37 GLN 4.225 0.242 19 0 "[ . 1 . 2]"
1 38 TYR 1.668 0.122 8 0 "[ . 1 . 2]"
1 39 PRO 0.130 0.026 12 0 "[ . 1 . 2]"
1 40 GLU 0.041 0.018 17 0 "[ . 1 . 2]"
1 41 LEU 7.850 0.605 17 2 "[ . 1 - + 2]"
1 42 ALA 20.651 0.803 20 13 "[*-**.* 1****** *+]"
1 43 GLU 5.197 0.584 2 1 "[ + . 1 . 2]"
1 44 SER 14.775 0.803 20 13 "[*-**.* 1****** *+]"
1 45 TYR 11.381 0.607 10 4 "[ . + *-. *]"
1 46 THR 4.792 0.584 2 1 "[ + . 1 . 2]"
1 47 LYS 15.906 1.159 12 9 "[ * .*- ** +**. *]"
1 48 VAL 10.275 1.159 12 6 "[ * .*- *1 + *. 2]"
1 49 CYS 10.663 1.052 5 14 "[****+* * 1-* ** ***2]"
1 50 PRO 0.053 0.036 18 0 "[ . 1 . 2]"
1 51 ASN 22.007 1.052 5 20 [****+**********-****]
1 52 ARG 30.116 0.931 11 17 "[** *** **+****-****]"
1 53 CYS 3.506 0.607 11 1 "[ . 1+ . 2]"
1 54 ASP 2.789 0.254 13 0 "[ . 1 . 2]"
1 55 LEU 2.712 0.522 19 1 "[ . 1 . +2]"
1 56 ALA 2.164 0.522 19 1 "[ . 1 . +2]"
1 57 THR 6.991 0.801 1 2 "[+ . 1 . -2]"
1 58 ALA 30.898 1.185 16 19 "[**********-* **+****]"
1 59 ALA 0.577 0.152 13 0 "[ . 1 . 2]"
1 60 ASP 0.196 0.110 7 0 "[ . 1 . 2]"
1 61 ARG 5.233 0.420 17 0 "[ . 1 . 2]"
1 62 ALA 1.855 0.388 19 0 "[ . 1 . 2]"
1 63 ALA 0.196 0.110 7 0 "[ . 1 . 2]"
1 64 LYS 9.075 0.502 16 1 "[ . 1 .+ 2]"
1 65 GLY 10.431 0.502 16 1 "[ . 1 .+ 2]"
1 66 ALA 20.278 0.968 15 20 [**************+**-**]
1 67 TYR 3.681 0.170 17 0 "[ . 1 . 2]"
1 68 GLY 5.687 0.366 11 0 "[ . 1 . 2]"
1 69 TYR 24.011 0.611 15 20 [********-*****+*****]
1 70 ASP 14.526 0.498 9 0 "[ . 1 . 2]"
1 71 VAL 8.579 0.547 4 3 "[ +. 1 . *-]"
1 72 GLN 9.434 0.547 4 3 "[ +. 1 . *-]"
1 73 LEU 0.204 0.055 15 0 "[ . 1 . 2]"
1 74 THR 4.477 0.628 9 4 "[ * . * +1 . -2]"
1 75 THR 14.401 0.863 18 11 "[ ** *-* ** .* +**]"
1 76 LEU 16.051 0.863 18 9 "[ ** *- * .* +**]"
1 77 LYS 3.199 0.395 12 0 "[ . 1 . 2]"
1 78 GLU 5.007 0.395 12 0 "[ . 1 . 2]"
1 79 ASP 5.247 0.278 9 0 "[ . 1 . 2]"
1 80 ILE 10.000 0.461 10 0 "[ . 1 . 2]"
1 81 ARG 10.243 0.603 12 8 "[*- .* 1 + *. * **]"
1 82 LEU 11.067 0.603 12 8 "[*- .* 1 + *. * **]"
1 83 MET 1.200 0.222 13 0 "[ . 1 . 2]"
1 84 VAL 40.099 1.626 18 20 [***-*************+**]
1 85 ASN 19.524 0.888 17 20 [****************+-**]
1 86 ASN 23.757 0.810 10 11 "[ . *+*-****** *]"
1 87 CYS 6.879 0.473 18 0 "[ . 1 . 2]"
1 88 ILE 3.923 0.283 11 0 "[ . 1 . 2]"
1 89 LEU 5.640 0.217 4 0 "[ . 1 . 2]"
1 90 PHE 5.503 0.371 1 0 "[ . 1 . 2]"
1 91 ASN 3.877 1.023 17 2 "[ . 1 - . + 2]"
1 92 GLY 4.442 1.023 17 2 "[ . 1 - . + 2]"
1 93 ALA 1.111 0.328 12 0 "[ . 1 . 2]"
1 94 GLU 1.423 0.238 17 0 "[ . 1 . 2]"
1 95 GLY 1.639 0.214 12 0 "[ . 1 . 2]"
1 96 ALA 0.590 0.296 17 0 "[ . 1 . 2]"
1 97 TYR 1.184 0.238 17 0 "[ . 1 . 2]"
1 98 ALA 0.426 0.214 12 0 "[ . 1 . 2]"
1 99 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 100 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 101 ALA 7.769 0.332 12 0 "[ . 1 . 2]"
1 102 ARG 1.673 0.478 8 0 "[ . 1 . 2]"
1 103 THR 21.124 1.626 18 20 [***-*************+**]
1 104 PHE 0.252 0.127 12 0 "[ . 1 . 2]"
1 105 GLU 14.747 0.507 6 1 "[ .+ 1 . 2]"
1 106 LYS 0.187 0.053 15 0 "[ . 1 . 2]"
1 107 PHE 32.810 1.044 7 18 "[*****-+********** *2]"
1 108 ALA 0.893 0.123 3 0 "[ . 1 . 2]"
1 109 MET 8.787 0.429 20 0 "[ . 1 . 2]"
1 110 GLY 25.192 0.598 16 7 "[ * .** *1- *+ 2]"
1 111 LYS 27.412 1.044 7 17 "[******+*** *****- *2]"
1 112 ILE 0.308 0.140 15 0 "[ . 1 . 2]"
1 113 ASP 8.258 0.598 16 1 "[ . 1 .+ 2]"
1 114 ALA 3.992 0.300 20 0 "[ . 1 . 2]"
1 115 TYR 10.477 0.499 4 0 "[ . 1 . 2]"
1 116 ILE 21.557 1.136 18 14 "[- **. ******* *+**]"
1 117 SER 0.100 0.021 15 0 "[ . 1 . 2]"
1 118 GLN 11.963 0.594 8 4 "[ . + *- . * 2]"
1 119 LYS 26.004 1.136 18 15 "[* **. ***-**** *+**]"
1 120 VAL 34.901 1.314 2 16 "[*+-*.****1 ***.*****]"
1 121 GLY 15.750 1.049 18 16 "[-***.****1 ***.**+**]"
1 122 GLY 14.847 1.314 2 13 "[*+-*.****1 ***.* *]"
1 123 LEU 2.012 0.280 12 0 "[ . 1 . 2]"
1 124 GLU 3.462 0.903 10 2 "[ - . + . 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 45 TYR QD 1 46 THR H 4.700 . 5.000 3.644 2.833 4.235 . 0 0 "[ . 1 . 2]" 1
2 1 45 TYR H 1 45 TYR QE 6.100 . 6.400 6.213 6.106 6.228 . 0 0 "[ . 1 . 2]" 1
3 1 34 VAL MG1 1 45 TYR QD 6.500 . 6.500 2.074 1.894 2.670 . 0 0 "[ . 1 . 2]" 1
4 1 2 SER QB 1 3 GLN HA 4.400 . 4.700 4.080 3.882 4.467 . 0 0 "[ . 1 . 2]" 1
5 1 2 SER QB 1 3 GLN HB2 4.700 . 5.000 4.450 3.938 4.951 . 0 0 "[ . 1 . 2]" 1
6 1 2 SER QB 1 3 GLN QG 5.900 . 6.200 5.373 5.072 5.614 . 0 0 "[ . 1 . 2]" 1
7 1 2 SER QB 1 4 ASN HA 4.900 . 5.200 4.921 4.665 5.462 0.262 20 0 "[ . 1 . 2]" 1
8 1 2 SER QB 1 7 LEU HA 6.500 . 6.500 5.855 5.168 6.502 0.002 7 0 "[ . 1 . 2]" 1
9 1 2 SER QB 1 73 LEU HB2 6.500 . 6.500 4.861 4.585 5.260 . 0 0 "[ . 1 . 2]" 1
10 1 2 SER QB 1 123 LEU QD 6.500 . 6.500 2.219 1.848 2.417 . 0 0 "[ . 1 . 2]" 1
11 1 3 GLN HB2 1 5 ARG HB3 5.100 . 5.400 5.209 4.961 5.678 0.278 9 0 "[ . 1 . 2]" 1
12 1 3 GLN HB2 1 6 GLN QG 6.500 . 6.500 6.465 6.109 6.509 0.009 5 0 "[ . 1 . 2]" 1
13 1 3 GLN HB2 1 123 LEU HA 6.500 . 6.500 2.483 1.994 3.230 . 0 0 "[ . 1 . 2]" 1
14 1 3 GLN HE21 1 5 ARG HB2 4.400 . 4.700 2.335 1.965 2.419 . 0 0 "[ . 1 . 2]" 1
15 1 3 GLN HE22 1 5 ARG HB2 4.600 . 4.900 2.797 2.172 3.702 . 0 0 "[ . 1 . 2]" 1
16 1 3 GLN H 1 4 ASN H 4.300 . 4.600 4.273 4.058 4.582 . 0 0 "[ . 1 . 2]" 1
17 1 3 GLN QG 1 4 ASN H 4.500 . 4.800 3.620 2.573 4.139 . 0 0 "[ . 1 . 2]" 1
18 1 4 ASN HA 1 4 ASN HB2 2.500 . 2.800 2.596 2.515 3.011 0.211 8 0 "[ . 1 . 2]" 1
19 1 3 GLN HA 1 4 ASN HA 4.400 . 4.700 4.389 4.360 4.404 . 0 0 "[ . 1 . 2]" 1
20 1 4 ASN HA 1 5 ARG HB3 5.200 . 5.500 5.037 4.942 5.240 . 0 0 "[ . 1 . 2]" 1
21 1 5 ARG H 1 5 ARG HA 2.900 . 3.200 2.851 2.816 2.892 . 0 0 "[ . 1 . 2]" 1
22 1 5 ARG H 1 5 ARG HB2 3.000 . 3.300 3.438 3.287 3.498 0.198 17 0 "[ . 1 . 2]" 1
23 1 5 ARG H 1 5 ARG HB3 2.500 . 2.800 3.073 2.948 3.223 0.423 9 0 "[ . 1 . 2]" 1
24 1 5 ARG H 1 5 ARG QD 5.900 . 6.200 4.978 4.448 5.214 . 0 0 "[ . 1 . 2]" 1
25 1 5 ARG H 1 6 GLN H 2.600 . 2.900 2.760 2.629 2.818 . 0 0 "[ . 1 . 2]" 1
26 1 4 ASN HA 1 5 ARG H 2.700 . 3.000 2.365 2.302 2.461 . 0 0 "[ . 1 . 2]" 1
27 1 4 ASN HB2 1 5 ARG H 4.400 . 4.700 4.202 4.105 4.400 . 0 0 "[ . 1 . 2]" 1
28 1 5 ARG HB2 1 6 GLN HA 5.800 . 6.100 5.761 5.714 5.768 . 0 0 "[ . 1 . 2]" 1
29 1 5 ARG HB2 1 5 ARG QD 3.600 . 3.900 2.714 2.460 3.252 . 0 0 "[ . 1 . 2]" 1
30 1 5 ARG HB3 1 6 GLN HA 4.600 . 4.900 4.561 4.404 4.611 . 0 0 "[ . 1 . 2]" 1
31 1 5 ARG HB3 1 71 VAL HA 6.500 . 6.500 6.103 5.708 6.344 . 0 0 "[ . 1 . 2]" 1
32 1 5 ARG HB3 1 5 ARG HE 3.700 . 4.000 3.724 3.259 3.996 . 0 0 "[ . 1 . 2]" 1
33 1 6 GLN H 1 6 GLN HA 2.900 . 3.200 2.937 2.936 2.938 . 0 0 "[ . 1 . 2]" 1
34 1 6 GLN H 1 6 GLN HB2 3.800 . 4.100 3.875 3.870 3.878 . 0 0 "[ . 1 . 2]" 1
35 1 6 GLN H 1 6 GLN QG 3.200 . 3.500 3.513 3.447 3.537 0.037 11 0 "[ . 1 . 2]" 1
36 1 4 ASN HA 1 6 GLN H 5.000 . 5.300 5.069 4.986 5.166 . 0 0 "[ . 1 . 2]" 1
37 1 5 ARG HB3 1 6 GLN H 2.000 . 3.300 1.905 1.886 1.915 . 0 0 "[ . 1 . 2]" 1
38 1 5 ARG QD 1 6 GLN H 5.100 . 5.400 3.422 2.779 3.698 . 0 0 "[ . 1 . 2]" 1
39 1 6 GLN H 1 6 GLN QE 4.700 . 5.000 3.317 3.131 3.376 . 0 0 "[ . 1 . 2]" 1
40 1 5 ARG HB3 1 6 GLN QG 4.600 . 4.900 4.629 4.416 4.710 . 0 0 "[ . 1 . 2]" 1
41 1 6 GLN QG 1 7 LEU HG 6.500 . 6.500 6.574 6.562 6.609 0.109 19 0 "[ . 1 . 2]" 1
42 1 6 GLN QG 1 8 LEU HB2 5.600 . 6.500 5.057 4.767 5.332 . 0 0 "[ . 1 . 2]" 1
43 1 6 GLN QG 1 122 GLY QA 4.500 . 4.800 3.917 3.416 4.098 . 0 0 "[ . 1 . 2]" 1
44 1 3 GLN HB3 1 6 GLN QE 3.900 . 4.200 3.301 2.880 3.790 . 0 0 "[ . 1 . 2]" 1
45 1 5 ARG HB3 1 6 GLN QE 3.500 . 3.800 3.976 3.690 4.049 0.249 11 0 "[ . 1 . 2]" 1
46 1 6 GLN QE 1 6 GLN QG 2.100 . 2.400 2.085 2.069 2.091 . 0 0 "[ . 1 . 2]" 1
47 1 6 GLN HA 1 6 GLN QE 5.400 . 5.700 4.673 4.570 4.702 . 0 0 "[ . 1 . 2]" 1
48 1 7 LEU H 1 7 LEU HA 2.900 . 3.200 2.944 2.940 2.947 . 0 0 "[ . 1 . 2]" 1
49 1 7 LEU H 1 7 LEU HB2 2.200 . 2.500 2.321 2.278 2.355 . 0 0 "[ . 1 . 2]" 1
50 1 7 LEU H 1 7 LEU HB3 3.500 . 3.800 3.478 3.438 3.526 . 0 0 "[ . 1 . 2]" 1
51 1 7 LEU H 1 7 LEU MD1 2.600 . 4.500 4.421 4.406 4.446 . 0 0 "[ . 1 . 2]" 1
52 1 7 LEU H 1 7 LEU MD2 2.600 . 3.800 2.876 2.770 3.082 . 0 0 "[ . 1 . 2]" 1
53 1 7 LEU H 1 7 LEU HG 4.000 . 4.300 4.314 4.239 4.427 0.127 15 0 "[ . 1 . 2]" 1
54 1 7 LEU H 1 8 LEU HA 5.300 . 5.600 5.105 5.010 5.211 . 0 0 "[ . 1 . 2]" 1
55 1 7 LEU H 1 9 TYR H 4.500 . 6.000 6.331 6.178 6.510 0.510 9 1 "[ . +1 . 2]" 1
56 1 6 GLN HA 1 7 LEU H 2.200 . 2.700 2.315 2.313 2.324 . 0 0 "[ . 1 . 2]" 1
57 1 6 GLN HB2 1 7 LEU H 3.000 . 3.300 2.822 2.792 2.834 . 0 0 "[ . 1 . 2]" 1
58 1 6 GLN QG 1 7 LEU H 4.000 . 4.300 3.108 3.070 3.188 . 0 0 "[ . 1 . 2]" 1
59 1 7 LEU H 1 8 LEU H 4.500 . 4.800 4.365 4.265 4.431 . 0 0 "[ . 1 . 2]" 1
60 1 6 GLN QE 1 7 LEU H 5.200 . 5.500 4.484 4.408 4.537 . 0 0 "[ . 1 . 2]" 1
61 1 5 ARG HB3 1 7 LEU HA 6.500 . 6.500 6.582 6.548 6.644 0.144 9 0 "[ . 1 . 2]" 1
62 1 7 LEU HA 1 7 LEU HB3 2.600 . 2.900 2.707 2.673 2.743 . 0 0 "[ . 1 . 2]" 1
63 1 7 LEU HA 1 7 LEU HG 3.700 . 4.000 3.656 3.639 3.675 . 0 0 "[ . 1 . 2]" 1
64 1 7 LEU HA 1 7 LEU MD1 2.200 . 3.500 2.430 2.398 2.446 . 0 0 "[ . 1 . 2]" 1
65 1 7 LEU HA 1 7 LEU MD2 2.200 . 3.500 2.107 2.028 2.166 . 0 0 "[ . 1 . 2]" 1
66 1 6 GLN HB2 1 7 LEU HB3 6.100 . 6.400 6.174 6.119 6.220 . 0 0 "[ . 1 . 2]" 1
67 1 6 GLN QG 1 7 LEU HB3 6.100 . 6.400 5.385 5.321 5.462 . 0 0 "[ . 1 . 2]" 1
68 1 7 LEU HB3 1 7 LEU HG 2.500 . 2.800 2.582 2.569 2.596 . 0 0 "[ . 1 . 2]" 1
69 1 7 LEU HB3 1 8 LEU HA 4.900 . 5.200 4.944 4.886 4.997 . 0 0 "[ . 1 . 2]" 1
70 1 7 LEU HB3 1 69 TYR HA 5.400 . 5.700 5.087 4.922 5.127 . 0 0 "[ . 1 . 2]" 1
71 1 3 GLN HB3 1 7 LEU MD2 6.300 . 6.500 4.376 3.793 5.075 . 0 0 "[ . 1 . 2]" 1
72 1 5 ARG HB3 1 7 LEU MD2 6.300 . 6.500 5.311 5.222 5.440 . 0 0 "[ . 1 . 2]" 1
73 1 7 LEU HB3 1 7 LEU MD2 2.300 . 3.200 3.168 3.164 3.173 . 0 0 "[ . 1 . 2]" 1
74 1 7 LEU MD2 1 68 GLY HA3 5.500 . 5.800 5.056 4.929 5.205 . 0 0 "[ . 1 . 2]" 1
75 1 7 LEU MD2 1 69 TYR HA . . 3.000 3.330 3.219 3.546 0.546 9 1 "[ . +1 . 2]" 1
76 1 7 LEU MD2 1 73 LEU QD 2.000 . 4.300 2.436 2.399 2.463 . 0 0 "[ . 1 . 2]" 1
77 1 7 LEU MD2 1 123 LEU HA 5.400 . 5.700 4.777 4.017 5.208 . 0 0 "[ . 1 . 2]" 1
78 1 7 LEU MD2 1 69 TYR QD 4.500 . 5.800 4.780 4.256 5.268 . 0 0 "[ . 1 . 2]" 1
79 1 8 LEU H 1 8 LEU HA 2.800 . 3.100 2.762 2.754 2.783 . 0 0 "[ . 1 . 2]" 1
80 1 8 LEU H 1 8 LEU HB2 2.100 . 3.000 2.172 2.045 2.424 . 0 0 "[ . 1 . 2]" 1
81 1 8 LEU H 1 8 LEU HB3 3.400 . 3.400 3.007 2.593 3.379 . 0 0 "[ . 1 . 2]" 1
82 1 8 LEU H 1 9 TYR H 3.100 . 3.400 3.120 2.990 3.221 . 0 0 "[ . 1 . 2]" 1
83 1 6 GLN HA 1 8 LEU H 5.900 . 6.200 6.039 5.882 6.117 . 0 0 "[ . 1 . 2]" 1
84 1 7 LEU HA 1 8 LEU H 2.100 . 3.400 2.146 2.139 2.154 . 0 0 "[ . 1 . 2]" 1
85 1 8 LEU H 1 69 TYR H 6.500 . 6.500 5.829 5.750 5.920 . 0 0 "[ . 1 . 2]" 1
86 1 8 LEU H 1 9 TYR HA 5.000 . 5.300 5.159 5.103 5.184 . 0 0 "[ . 1 . 2]" 1
87 1 8 LEU H 1 9 TYR QB 5.500 . 5.800 5.475 5.275 5.799 . 0 0 "[ . 1 . 2]" 1
88 1 6 GLN QE 1 8 LEU H 4.700 . 5.000 3.494 3.398 3.656 . 0 0 "[ . 1 . 2]" 1
89 1 8 LEU H 1 9 TYR QD 5.800 . 6.100 5.950 5.016 6.486 0.386 3 0 "[ . 1 . 2]" 1
90 1 8 LEU HA 1 9 TYR H 3.600 . 3.900 3.564 3.552 3.571 . 0 0 "[ . 1 . 2]" 1
91 1 8 LEU HB2 1 9 TYR H 2.400 . 3.300 3.115 2.598 3.474 0.174 20 0 "[ . 1 . 2]" 1
92 1 9 TYR H 1 10 PRO HB3 4.600 . 4.900 4.671 4.613 4.777 . 0 0 "[ . 1 . 2]" 1
93 1 7 LEU HA 1 9 TYR H 4.700 . 5.000 4.630 4.510 4.785 . 0 0 "[ . 1 . 2]" 1
94 1 9 TYR H 1 10 PRO HB2 5.800 . 6.100 5.809 5.754 5.909 . 0 0 "[ . 1 . 2]" 1
95 1 8 LEU HB3 1 9 TYR H 2.300 . 3.200 2.024 1.903 2.181 . 0 0 "[ . 1 . 2]" 1
96 1 9 TYR H 1 9 TYR HA 2.800 . 3.100 2.813 2.791 2.852 . 0 0 "[ . 1 . 2]" 1
97 1 9 TYR H 1 9 TYR QB 3.200 . 3.500 3.113 2.904 3.430 . 0 0 "[ . 1 . 2]" 1
98 1 9 TYR H 1 9 TYR QD 4.300 . 4.600 4.035 2.788 4.503 . 0 0 "[ . 1 . 2]" 1
99 1 9 TYR HA 1 10 PRO HA 4.600 . 4.900 4.635 4.622 4.649 . 0 0 "[ . 1 . 2]" 1
100 1 9 TYR HA 1 68 GLY HA2 5.500 . 5.800 4.842 4.626 5.109 . 0 0 "[ . 1 . 2]" 1
101 1 11 ARG H 1 11 ARG HA 2.800 . 3.100 2.790 2.783 2.807 . 0 0 "[ . 1 . 2]" 1
102 1 11 ARG H 1 11 ARG QD 4.800 . 5.100 4.636 4.455 4.719 . 0 0 "[ . 1 . 2]" 1
103 1 11 ARG H 1 11 ARG QG . . 2.900 2.646 2.560 2.741 . 0 0 "[ . 1 . 2]" 1
104 1 11 ARG H 1 12 GLU H 2.000 . 2.300 1.913 1.872 1.982 . 0 0 "[ . 1 . 2]" 1
105 1 11 ARG H 1 13 GLU H 2.800 . 3.100 2.802 2.728 2.846 . 0 0 "[ . 1 . 2]" 1
106 1 10 PRO HA 1 11 ARG H 2.200 . 2.500 2.155 2.154 2.156 . 0 0 "[ . 1 . 2]" 1
107 1 10 PRO HB2 1 11 ARG H 3.700 . 4.000 3.730 3.710 3.740 . 0 0 "[ . 1 . 2]" 1
108 1 11 ARG QB 1 15 VAL MG2 4.700 . 5.000 4.683 4.242 5.019 0.019 10 0 "[ . 1 . 2]" 1
109 1 9 TYR QB 1 11 ARG HE 3.500 . 3.800 3.623 3.166 3.893 0.093 9 0 "[ . 1 . 2]" 1
110 1 11 ARG HE 1 11 ARG QG 2.900 . 3.200 2.145 2.093 2.229 . 0 0 "[ . 1 . 2]" 1
111 1 11 ARG HE 1 12 GLU QB 3.600 . 3.900 3.707 3.301 4.196 0.296 8 0 "[ . 1 . 2]" 1
112 1 11 ARG HE 1 15 VAL MG2 6.200 . 6.500 6.172 5.675 6.500 . 0 0 "[ . 1 . 2]" 1
113 1 12 GLU H 1 12 GLU HA 2.800 . 3.100 2.766 2.761 2.781 . 0 0 "[ . 1 . 2]" 1
114 1 12 GLU H 1 12 GLU QB 2.400 . 2.700 2.121 2.046 2.238 . 0 0 "[ . 1 . 2]" 1
115 1 12 GLU H 1 13 GLU H 2.700 . 3.000 2.741 2.703 2.753 . 0 0 "[ . 1 . 2]" 1
116 1 10 PRO HA 1 12 GLU H 3.800 . 4.100 3.777 3.738 3.847 . 0 0 "[ . 1 . 2]" 1
117 1 11 ARG QD 1 12 GLU H 3.700 . 4.000 3.891 3.458 4.284 0.284 15 0 "[ . 1 . 2]" 1
118 1 11 ARG QG 1 12 GLU H 2.000 . 2.900 1.992 1.929 2.126 . 0 0 "[ . 1 . 2]" 1
119 1 12 GLU H 1 14 MET H 4.600 . 4.900 4.196 4.038 4.483 . 0 0 "[ . 1 . 2]" 1
120 1 12 GLU H 1 12 GLU QG 4.600 . 4.900 3.799 3.142 4.062 . 0 0 "[ . 1 . 2]" 1
121 1 12 GLU H 1 15 VAL MG1 5.200 . 5.500 5.187 4.858 5.453 . 0 0 "[ . 1 . 2]" 1
122 1 12 GLU H 1 15 VAL MG2 4.400 . 4.700 4.725 4.243 4.981 0.281 10 0 "[ . 1 . 2]" 1
123 1 12 GLU H 1 15 VAL H 5.100 . 5.400 5.279 5.143 5.396 . 0 0 "[ . 1 . 2]" 1
124 1 12 GLU HA 1 13 GLU H 3.500 . 3.800 3.479 3.475 3.486 . 0 0 "[ . 1 . 2]" 1
125 1 12 GLU QB 1 13 GLU H 2.900 . 3.200 2.866 2.820 2.932 . 0 0 "[ . 1 . 2]" 1
126 1 13 GLU H 1 13 GLU QG 4.500 . 4.800 2.032 1.920 2.310 . 0 0 "[ . 1 . 2]" 1
127 1 13 GLU H 1 14 MET H 2.600 . 2.900 2.318 2.170 2.527 . 0 0 "[ . 1 . 2]" 1
128 1 13 GLU H 1 15 VAL MG1 5.400 . 5.700 5.206 4.937 5.440 . 0 0 "[ . 1 . 2]" 1
129 1 13 GLU H 1 15 VAL H 4.200 . 4.500 4.152 3.913 4.412 . 0 0 "[ . 1 . 2]" 1
130 1 13 GLU H 1 13 GLU HA 2.900 . 3.200 2.903 2.877 2.926 . 0 0 "[ . 1 . 2]" 1
131 1 10 PRO HA 1 13 GLU H 4.500 . 4.800 4.467 4.369 4.520 . 0 0 "[ . 1 . 2]" 1
132 1 14 MET H 1 15 VAL H 2.900 . 3.200 2.859 2.791 2.946 . 0 0 "[ . 1 . 2]" 1
133 1 14 MET H 1 15 VAL MG1 4.600 . 4.900 4.412 4.222 4.623 . 0 0 "[ . 1 . 2]" 1
134 1 15 VAL H 1 15 VAL HA 2.800 . 3.100 2.830 2.772 2.872 . 0 0 "[ . 1 . 2]" 1
135 1 15 VAL H 1 16 SER H 2.700 . 3.000 2.569 2.429 2.732 . 0 0 "[ . 1 . 2]" 1
136 1 12 GLU HA 1 15 VAL H 4.000 . 4.300 4.118 4.029 4.312 0.012 18 0 "[ . 1 . 2]" 1
137 1 14 MET QB 1 15 VAL H 2.400 . 2.700 2.576 2.239 2.724 0.024 10 0 "[ . 1 . 2]" 1
138 1 15 VAL H 1 15 VAL HB 3.600 . 3.900 3.618 3.609 3.633 . 0 0 "[ . 1 . 2]" 1
139 1 15 VAL H 1 15 VAL MG1 2.100 . 3.400 2.262 1.928 2.517 . 0 0 "[ . 1 . 2]" 1
140 1 15 VAL H 1 17 LEU MD2 5.200 . 5.500 4.098 3.944 4.294 . 0 0 "[ . 1 . 2]" 1
141 1 15 VAL HB 1 15 VAL MG1 2.400 . 2.700 2.112 2.085 2.129 . 0 0 "[ . 1 . 2]" 1
142 1 11 ARG QG 1 15 VAL MG1 6.200 . 6.500 5.104 4.643 5.408 . 0 0 "[ . 1 . 2]" 1
143 1 12 GLU HA 1 15 VAL MG1 3.900 . 4.200 3.733 3.461 4.134 . 0 0 "[ . 1 . 2]" 1
144 1 15 VAL MG1 1 59 ALA MB 5.000 . 5.300 4.781 4.238 5.422 0.122 19 0 "[ . 1 . 2]" 1
145 1 15 VAL HA 1 15 VAL MG1 2.500 . 2.800 2.319 2.197 2.442 . 0 0 "[ . 1 . 2]" 1
146 1 15 VAL HA 1 58 ALA MB 4.600 . 4.900 4.591 4.007 4.736 . 0 0 "[ . 1 . 2]" 1
147 1 15 VAL HA 1 16 SER H 3.500 . 3.800 3.488 3.485 3.490 . 0 0 "[ . 1 . 2]" 1
148 1 15 VAL HB 1 16 SER H 3.900 . 4.200 3.881 3.821 3.943 . 0 0 "[ . 1 . 2]" 1
149 1 15 VAL MG1 1 16 SER H 4.300 . 4.600 3.971 3.880 4.045 . 0 0 "[ . 1 . 2]" 1
150 1 15 VAL MG2 1 16 SER H 2.400 . 2.700 2.113 1.949 2.252 . 0 0 "[ . 1 . 2]" 1
151 1 16 SER H 1 17 LEU HB2 5.100 . 5.400 4.994 4.923 5.079 . 0 0 "[ . 1 . 2]" 1
152 1 13 GLU QG 1 16 SER H 6.500 . 6.500 5.134 4.783 5.683 . 0 0 "[ . 1 . 2]" 1
153 1 13 GLU H 1 16 SER H 4.700 . 5.000 4.829 4.665 4.941 . 0 0 "[ . 1 . 2]" 1
154 1 16 SER H 1 17 LEU H 2.800 . 3.100 2.820 2.767 2.897 . 0 0 "[ . 1 . 2]" 1
155 1 16 SER H 1 16 SER QB 2.200 . 2.500 2.178 2.059 2.537 0.037 11 0 "[ . 1 . 2]" 1
156 1 16 SER H 1 17 LEU HA 5.400 . 5.700 5.389 5.346 5.450 . 0 0 "[ . 1 . 2]" 1
157 1 16 SER QB 1 17 LEU H 2.400 . 2.700 2.412 2.331 2.582 . 0 0 "[ . 1 . 2]" 1
158 1 17 LEU H 1 19 ARG H 4.200 . 4.500 3.944 3.874 4.245 . 0 0 "[ . 1 . 2]" 1
159 1 15 VAL HA 1 17 LEU H 4.600 . 4.900 4.453 4.260 4.632 . 0 0 "[ . 1 . 2]" 1
160 1 17 LEU H 1 17 LEU HG 3.900 . 4.200 3.796 3.779 3.809 . 0 0 "[ . 1 . 2]" 1
161 1 17 LEU H 1 17 LEU MD1 2.200 . 3.100 2.300 2.250 2.315 . 0 0 "[ . 1 . 2]" 1
162 1 17 LEU H 1 17 LEU MD2 2.200 . 3.100 1.906 1.895 1.956 . 0 0 "[ . 1 . 2]" 1
163 1 17 LEU HB2 1 18 VAL QG 3.400 . 3.700 3.762 3.453 3.863 0.163 15 0 "[ . 1 . 2]" 1
164 1 18 VAL HA 1 18 VAL QG 2.400 . 2.700 2.164 2.078 2.235 . 0 0 "[ . 1 . 2]" 1
165 1 18 VAL QG 1 19 ARG QG 4.100 . 4.400 2.540 2.354 2.844 . 0 0 "[ . 1 . 2]" 1
166 1 18 VAL QG 1 21 LEU MD2 3.600 . 3.900 3.019 2.777 3.074 . 0 0 "[ . 1 . 2]" 1
167 1 18 VAL QG 1 58 ALA MB 2.100 . 2.400 3.327 2.603 3.585 1.185 16 19 "[**********-* **+****]" 1
168 1 19 ARG H 1 19 ARG HA 2.800 . 3.100 2.842 2.797 2.850 . 0 0 "[ . 1 . 2]" 1
169 1 19 ARG H 1 19 ARG QD 4.300 . 4.600 4.217 3.720 4.696 0.096 9 0 "[ . 1 . 2]" 1
170 1 19 ARG H 1 20 SER H 2.600 . 2.900 2.558 2.529 2.662 . 0 0 "[ . 1 . 2]" 1
171 1 18 VAL QG 1 19 ARG H 3.400 . 3.700 2.251 2.175 2.839 . 0 0 "[ . 1 . 2]" 1
172 1 18 VAL HA 1 19 ARG H 3.600 . 3.900 3.504 3.497 3.550 . 0 0 "[ . 1 . 2]" 1
173 1 19 ARG H 1 21 LEU MD2 5.300 . 5.600 4.231 4.194 4.391 . 0 0 "[ . 1 . 2]" 1
174 1 17 LEU MD2 1 19 ARG H 5.900 . 6.200 5.000 4.892 5.302 . 0 0 "[ . 1 . 2]" 1
175 1 19 ARG H 1 19 ARG QG 3.600 . 3.900 2.818 2.192 3.060 . 0 0 "[ . 1 . 2]" 1
176 1 19 ARG HA 1 21 LEU MD2 5.500 . 5.800 5.182 5.147 5.269 . 0 0 "[ . 1 . 2]" 1
177 1 18 VAL QG 1 19 ARG HA 3.500 . 3.800 2.993 2.935 3.033 . 0 0 "[ . 1 . 2]" 1
178 1 19 ARG HA 1 19 ARG QB 2.500 . 2.800 2.467 2.325 2.508 . 0 0 "[ . 1 . 2]" 1
179 1 19 ARG HA 1 19 ARG QG 2.600 . 2.900 2.320 2.123 2.518 . 0 0 "[ . 1 . 2]" 1
180 1 16 SER QB 1 19 ARG QB 6.100 . 6.400 4.321 4.084 4.717 . 0 0 "[ . 1 . 2]" 1
181 1 19 ARG QB 1 19 ARG HE 2.800 . 3.100 2.321 1.980 2.568 . 0 0 "[ . 1 . 2]" 1
182 1 19 ARG HE 1 19 ARG QG 2.200 . 2.500 2.570 2.288 3.339 0.839 10 3 "[ . + - . * 2]" 1
183 1 20 SER H 1 20 SER HA 2.800 . 3.100 2.805 2.794 2.835 . 0 0 "[ . 1 . 2]" 1
184 1 18 VAL HA 1 20 SER H 4.600 . 4.900 4.332 4.055 4.389 . 0 0 "[ . 1 . 2]" 1
185 1 18 VAL QG 1 20 SER H 5.500 . 5.800 4.114 4.074 4.279 . 0 0 "[ . 1 . 2]" 1
186 1 19 ARG QB 1 20 SER H 2.700 . 3.000 2.720 2.670 2.808 . 0 0 "[ . 1 . 2]" 1
187 1 19 ARG QD 1 20 SER H 5.900 . 6.200 5.153 4.943 5.465 . 0 0 "[ . 1 . 2]" 1
188 1 19 ARG QG 1 20 SER H 5.100 . 5.400 4.330 3.979 4.432 . 0 0 "[ . 1 . 2]" 1
189 1 20 SER H 1 20 SER QB 2.200 . 2.500 2.173 2.096 2.275 . 0 0 "[ . 1 . 2]" 1
190 1 20 SER H 1 21 LEU HA 5.300 . 5.600 5.288 5.232 5.317 . 0 0 "[ . 1 . 2]" 1
191 1 20 SER H 1 22 ASP HB2 6.300 . 6.500 6.494 6.382 6.556 0.056 16 0 "[ . 1 . 2]" 1
192 1 21 LEU H 1 21 LEU HA 2.900 . 3.200 2.934 2.928 2.939 . 0 0 "[ . 1 . 2]" 1
193 1 21 LEU H 1 21 LEU HB2 3.700 . 4.000 3.697 3.677 3.715 . 0 0 "[ . 1 . 2]" 1
194 1 21 LEU H 1 21 LEU MD1 3.700 . 4.000 3.949 3.920 3.980 . 0 0 "[ . 1 . 2]" 1
195 1 21 LEU H 1 22 ASP H 4.500 . 4.800 4.546 4.539 4.560 . 0 0 "[ . 1 . 2]" 1
196 1 18 VAL HA 1 21 LEU H 3.800 . 4.100 3.577 3.435 3.615 . 0 0 "[ . 1 . 2]" 1
197 1 19 ARG QG 1 21 LEU H 6.200 . 6.500 5.653 5.551 5.813 . 0 0 "[ . 1 . 2]" 1
198 1 18 VAL QG 1 21 LEU H 5.500 . 5.800 4.196 4.117 4.232 . 0 0 "[ . 1 . 2]" 1
199 1 21 LEU H 1 21 LEU MD2 3.700 . 4.000 2.596 2.473 2.685 . 0 0 "[ . 1 . 2]" 1
200 1 17 LEU HA 1 21 LEU MD2 4.300 . 4.600 3.994 3.937 4.049 . 0 0 "[ . 1 . 2]" 1
201 1 18 VAL HA 1 21 LEU MD2 2.300 . 2.600 1.888 1.879 1.895 . 0 0 "[ . 1 . 2]" 1
202 1 21 LEU MD1 1 21 LEU MD2 2.000 . 2.300 2.016 1.934 2.049 . 0 0 "[ . 1 . 2]" 1
203 1 21 LEU MD2 1 55 LEU HB3 2.300 . 2.600 2.327 2.308 2.351 . 0 0 "[ . 1 . 2]" 1
204 1 21 LEU MD2 1 103 THR HA 6.200 . 6.500 5.786 5.025 6.106 . 0 0 "[ . 1 . 2]" 1
205 1 21 LEU MD1 1 22 ASP HA 3.000 . 3.300 3.218 3.132 3.319 0.019 13 0 "[ . 1 . 2]" 1
206 1 18 VAL QG 1 21 LEU MD1 3.600 . 3.900 3.013 2.859 3.140 . 0 0 "[ . 1 . 2]" 1
207 1 21 LEU MD1 1 54 ASP HB2 5.000 . 5.300 3.955 3.434 4.405 . 0 0 "[ . 1 . 2]" 1
208 1 22 ASP H 1 22 ASP HA 2.900 . 3.200 2.782 2.760 2.799 . 0 0 "[ . 1 . 2]" 1
209 1 22 ASP H 1 22 ASP HB2 3.200 . 3.500 3.225 3.146 3.301 . 0 0 "[ . 1 . 2]" 1
210 1 21 LEU MD1 1 22 ASP H 3.400 . 4.900 3.074 2.924 3.335 . 0 0 "[ . 1 . 2]" 1
211 1 21 LEU MD2 1 22 ASP H 3.400 . 4.900 4.752 4.702 4.844 . 0 0 "[ . 1 . 2]" 1
212 1 22 ASP H 1 23 ARG H 2.200 . 2.500 2.801 2.204 3.402 0.902 8 9 "[* **. +*** .- * 2]" 1
213 1 18 VAL HA 1 22 ASP H 6.200 . 6.500 6.644 6.618 6.678 0.178 14 0 "[ . 1 . 2]" 1
214 1 20 SER HG 1 22 ASP H 6.300 . 6.500 6.087 5.856 6.273 . 0 0 "[ . 1 . 2]" 1
215 1 22 ASP HA 1 23 ARG H 2.800 . 3.100 2.438 2.197 2.706 . 0 0 "[ . 1 . 2]" 1
216 1 22 ASP HA 1 23 ARG HE 5.900 . 6.200 4.646 3.896 5.095 . 0 0 "[ . 1 . 2]" 1
217 1 23 ARG HA 1 23 ARG HE 3.300 . 3.600 2.788 1.919 3.229 . 0 0 "[ . 1 . 2]" 1
218 1 23 ARG QB 1 23 ARG HE 2.600 . 2.900 2.300 1.829 2.897 . 0 0 "[ . 1 . 2]" 1
219 1 23 ARG QB 1 24 PRO QB 6.500 . 6.500 5.565 5.432 5.605 . 0 0 "[ . 1 . 2]" 1
220 1 25 GLN H 1 25 GLN HA 2.800 . 3.100 2.840 2.794 2.894 . 0 0 "[ . 1 . 2]" 1
221 1 25 GLN H 1 26 GLU HB2 4.800 . 5.100 4.577 4.357 4.711 . 0 0 "[ . 1 . 2]" 1
222 1 25 GLN H 1 25 GLN QB 2.400 . 2.700 2.380 2.142 2.618 . 0 0 "[ . 1 . 2]" 1
223 1 23 ARG H 1 25 GLN H 5.800 . 6.100 5.340 5.133 5.648 . 0 0 "[ . 1 . 2]" 1
224 1 25 GLN HA 1 25 GLN HE21 3.500 . 3.800 3.027 2.454 3.401 . 0 0 "[ . 1 . 2]" 1
225 1 25 GLN QB 1 25 GLN HE21 2.600 . 2.900 2.404 1.944 2.732 . 0 0 "[ . 1 . 2]" 1
226 1 25 GLN HE21 1 25 GLN QG 2.400 . 2.700 2.478 2.330 2.621 . 0 0 "[ . 1 . 2]" 1
227 1 25 GLN HE22 1 25 GLN QG 3.500 . 3.800 3.382 3.334 3.428 . 0 0 "[ . 1 . 2]" 1
228 1 26 GLU H 1 26 GLU HA 2.900 . 3.200 2.870 2.868 2.876 . 0 0 "[ . 1 . 2]" 1
229 1 26 GLU H 1 26 GLU HB2 2.200 . 2.500 2.110 2.103 2.213 . 0 0 "[ . 1 . 2]" 1
230 1 26 GLU H 1 29 LEU H 5.300 . 5.600 5.868 5.736 5.929 0.329 10 0 "[ . 1 . 2]" 1
231 1 25 GLN H 1 26 GLU H 2.800 . 3.100 2.666 2.472 2.800 . 0 0 "[ . 1 . 2]" 1
232 1 25 GLN QB 1 26 GLU H 2.400 . 2.700 2.393 2.303 2.530 . 0 0 "[ . 1 . 2]" 1
233 1 26 GLU H 1 28 GLY H 5.400 . 5.700 5.177 4.847 5.205 . 0 0 "[ . 1 . 2]" 1
234 1 26 GLU H 1 27 ASN HB2 4.800 . 5.100 4.643 4.578 4.728 . 0 0 "[ . 1 . 2]" 1
235 1 25 GLN HA 1 26 GLU HB3 6.300 . 6.500 6.505 6.291 6.522 0.022 15 0 "[ . 1 . 2]" 1
236 1 27 ASN H 1 27 ASN HA 2.300 . 3.200 2.279 2.276 2.281 . 0 0 "[ . 1 . 2]" 1
237 1 27 ASN H 1 27 ASN HB2 3.100 . 3.400 3.001 2.963 3.050 . 0 0 "[ . 1 . 2]" 1
238 1 27 ASN H 1 27 ASN HB3 3.500 . 3.800 3.645 3.548 3.710 . 0 0 "[ . 1 . 2]" 1
239 1 27 ASN H 1 28 GLY H 3.200 . 3.500 2.998 2.819 3.020 . 0 0 "[ . 1 . 2]" 1
240 1 26 GLU HB2 1 27 ASN H 3.300 . 3.600 2.925 2.890 3.337 . 0 0 "[ . 1 . 2]" 1
241 1 26 GLU H 1 27 ASN H 2.500 . 2.800 2.550 2.536 2.559 . 0 0 "[ . 1 . 2]" 1
242 1 27 ASN H 1 29 LEU H 3.900 . 4.200 4.279 4.203 4.318 0.118 14 0 "[ . 1 . 2]" 1
243 1 25 GLN HA 1 27 ASN H 4.800 . 5.100 4.990 4.934 5.040 . 0 0 "[ . 1 . 2]" 1
244 1 27 ASN HA 1 27 ASN HD21 2.100 . 2.400 2.426 1.992 2.615 0.215 6 0 "[ . 1 . 2]" 1
245 1 27 ASN HB2 1 27 ASN HD21 2.700 . 3.000 2.423 2.337 2.640 . 0 0 "[ . 1 . 2]" 1
246 1 27 ASN HB3 1 27 ASN HD21 3.500 . 3.800 3.532 3.515 3.553 . 0 0 "[ . 1 . 2]" 1
247 1 27 ASN HA 1 27 ASN HD22 3.600 . 3.900 3.584 3.363 3.684 . 0 0 "[ . 1 . 2]" 1
248 1 27 ASN HB2 1 27 ASN HD22 3.700 . 4.000 3.557 3.521 3.651 . 0 0 "[ . 1 . 2]" 1
249 1 27 ASN HB3 1 27 ASN HD22 4.100 . 4.400 4.087 4.078 4.097 . 0 0 "[ . 1 . 2]" 1
250 1 27 ASN HA 1 27 ASN HB2 2.500 . 2.800 2.547 2.481 2.596 . 0 0 "[ . 1 . 2]" 1
251 1 27 ASN HA 1 27 ASN HB3 3.000 . 3.300 3.018 3.006 3.027 . 0 0 "[ . 1 . 2]" 1
252 1 28 GLY H 1 28 GLY HA3 2.600 . 2.900 2.728 2.596 2.765 . 0 0 "[ . 1 . 2]" 1
253 1 28 GLY H 1 28 GLY HA2 2.900 . 3.200 2.874 2.848 2.939 . 0 0 "[ . 1 . 2]" 1
254 1 28 GLY H 1 29 LEU QB 4.700 . 5.000 4.415 4.370 4.454 . 0 0 "[ . 1 . 2]" 1
255 1 28 GLY H 1 29 LEU QD 6.200 . 6.500 5.253 4.890 5.407 . 0 0 "[ . 1 . 2]" 1
256 1 28 GLY H 1 29 LEU H 2.200 . 2.500 1.901 1.881 1.958 . 0 0 "[ . 1 . 2]" 1
257 1 28 GLY H 1 30 PHE H 4.300 . 4.600 3.494 3.360 3.603 . 0 0 "[ . 1 . 2]" 1
258 1 26 GLU HB2 1 28 GLY H 5.100 . 5.400 4.307 4.302 4.318 . 0 0 "[ . 1 . 2]" 1
259 1 27 ASN HA 1 28 GLY H 2.400 . 2.700 2.566 2.542 2.775 0.075 6 0 "[ . 1 . 2]" 1
260 1 27 ASN HB2 1 28 GLY H 4.600 . 4.900 4.656 4.600 4.661 . 0 0 "[ . 1 . 2]" 1
261 1 27 ASN HB3 1 28 GLY H 4.500 . 4.800 4.373 4.236 4.407 . 0 0 "[ . 1 . 2]" 1
262 1 24 PRO QB 1 28 GLY H 5.100 . 5.400 5.195 4.457 5.698 0.298 14 0 "[ . 1 . 2]" 1
263 1 29 LEU H 1 29 LEU HA 2.900 . 3.200 2.836 2.811 2.885 . 0 0 "[ . 1 . 2]" 1
264 1 29 LEU H 1 29 LEU QB 2.500 . 2.800 2.874 2.785 2.923 0.123 4 0 "[ . 1 . 2]" 1
265 1 29 LEU H 1 29 LEU QD 4.500 . 4.800 3.885 3.658 4.080 . 0 0 "[ . 1 . 2]" 1
266 1 29 LEU H 1 30 PHE H 2.600 . 2.900 1.880 1.862 1.896 . 0 0 "[ . 1 . 2]" 1
267 1 29 LEU H 1 31 SER QB 4.100 . 4.400 4.628 4.383 5.219 0.819 6 2 "[ .+ - . 2]" 1
268 1 29 LEU H 1 32 GLN HA 5.900 . 6.200 5.831 5.713 6.069 . 0 0 "[ . 1 . 2]" 1
269 1 28 GLY HA2 1 29 LEU H 3.000 . 3.300 3.528 3.520 3.538 0.238 14 0 "[ . 1 . 2]" 1
270 1 26 GLU HA 1 29 LEU H 4.800 . 5.100 5.659 5.401 5.716 0.616 16 18 "[***** *****-***+** *]" 1
271 1 27 ASN HB3 1 29 LEU H 5.400 . 5.700 6.091 5.997 6.127 0.427 14 0 "[ . 1 . 2]" 1
272 1 26 GLU HB2 1 29 LEU H 4.100 . 4.400 4.352 4.210 4.632 0.232 6 0 "[ . 1 . 2]" 1
273 1 27 ASN HB2 1 29 LEU H 6.000 . 6.300 6.441 6.373 6.493 0.193 14 0 "[ . 1 . 2]" 1
274 1 29 LEU H 1 31 SER H 3.600 . 3.900 2.659 2.610 2.706 . 0 0 "[ . 1 . 2]" 1
275 1 29 LEU H 1 30 PHE QD 5.600 . 5.900 4.299 4.251 4.354 . 0 0 "[ . 1 . 2]" 1
276 1 29 LEU QB 1 34 VAL MG1 6.500 . 6.500 4.392 3.918 5.004 . 0 0 "[ . 1 . 2]" 1
277 1 29 LEU HA 1 30 PHE H 3.600 . 3.900 3.520 3.511 3.529 . 0 0 "[ . 1 . 2]" 1
278 1 29 LEU QB 1 30 PHE H 2.200 . 2.500 2.670 2.566 2.769 0.269 8 0 "[ . 1 . 2]" 1
279 1 29 LEU QD 1 30 PHE H 4.500 . 4.800 3.082 2.569 3.532 . 0 0 "[ . 1 . 2]" 1
280 1 30 PHE H 1 31 SER HA 5.400 . 5.700 5.241 5.149 5.272 . 0 0 "[ . 1 . 2]" 1
281 1 30 PHE H 1 30 PHE QB 2.600 . 2.900 2.108 2.075 2.155 . 0 0 "[ . 1 . 2]" 1
282 1 26 GLU HA 1 30 PHE H 4.700 . 5.000 5.674 5.308 5.805 0.805 6 19 "[*-***+************ *]" 1
283 1 30 PHE H 1 31 SER H 3.300 . 3.600 2.602 2.561 2.648 . 0 0 "[ . 1 . 2]" 1
284 1 30 PHE H 1 30 PHE QD 3.300 . 3.600 2.701 2.624 3.650 0.050 6 0 "[ . 1 . 2]" 1
285 1 30 PHE H 1 30 PHE QE 4.800 . 5.100 5.007 4.943 5.803 0.703 6 1 "[ .+ 1 . 2]" 1
286 1 30 PHE H 1 30 PHE HA 2.900 . 3.200 2.828 2.803 2.893 . 0 0 "[ . 1 . 2]" 1
287 1 30 PHE HA 1 32 GLN HB2 6.500 . 6.500 6.650 6.602 6.711 0.211 14 0 "[ . 1 . 2]" 1
288 1 30 PHE HA 1 30 PHE QB 2.400 . 2.700 2.499 2.184 2.521 . 0 0 "[ . 1 . 2]" 1
289 1 30 PHE HA 1 30 PHE QD 2.300 . 2.600 2.953 2.890 3.248 0.648 6 1 "[ .+ 1 . 2]" 1
290 1 31 SER H 1 31 SER HA 2.800 . 3.100 2.904 2.878 2.932 . 0 0 "[ . 1 . 2]" 1
291 1 28 GLY H 1 31 SER H 3.700 . 4.000 3.176 3.012 3.250 . 0 0 "[ . 1 . 2]" 1
292 1 31 SER H 1 32 GLN HA 4.400 . 4.700 4.546 4.484 4.616 . 0 0 "[ . 1 . 2]" 1
293 1 31 SER H 1 33 ASP HA 5.800 . 6.100 6.546 6.311 6.651 0.551 6 2 "[ .+ 1- . 2]" 1
294 1 31 SER H 1 31 SER QB 3.100 . 3.400 2.837 2.689 3.051 . 0 0 "[ . 1 . 2]" 1
295 1 31 SER H 1 32 GLN HB3 5.100 . 5.400 4.647 4.458 4.744 . 0 0 "[ . 1 . 2]" 1
296 1 29 LEU QB 1 31 SER H 4.800 . 5.100 4.436 4.335 4.565 . 0 0 "[ . 1 . 2]" 1
297 1 29 LEU QD 1 31 SER H 5.900 . 6.200 4.383 4.146 4.732 . 0 0 "[ . 1 . 2]" 1
298 1 30 PHE QD 1 31 SER H 4.900 . 5.200 4.651 3.050 4.777 . 0 0 "[ . 1 . 2]" 1
299 1 24 PRO QB 1 31 SER HA 4.100 . 4.400 5.726 4.678 6.131 1.731 4 19 "[* *+***********-****]" 1
300 1 31 SER HA 1 32 GLN HB2 5.400 . 5.700 4.889 4.793 4.996 . 0 0 "[ . 1 . 2]" 1
301 1 30 PHE QB 1 31 SER HA 5.100 . 5.400 4.433 4.365 4.910 . 0 0 "[ . 1 . 2]" 1
302 1 31 SER HA 1 55 LEU QD 3.000 . 3.300 2.659 1.958 3.113 . 0 0 "[ . 1 . 2]" 1
303 1 32 GLN H 1 32 GLN HA 2.900 . 3.200 2.880 2.857 2.907 . 0 0 "[ . 1 . 2]" 1
304 1 32 GLN H 1 33 ASP HA 5.400 . 5.700 4.699 4.641 4.776 . 0 0 "[ . 1 . 2]" 1
305 1 32 GLN H 1 33 ASP H 4.500 . 4.800 4.371 4.364 4.381 . 0 0 "[ . 1 . 2]" 1
306 1 30 PHE H 1 32 GLN H 4.400 . 4.700 4.044 3.896 4.208 . 0 0 "[ . 1 . 2]" 1
307 1 31 SER HA 1 32 GLN H 3.600 . 3.900 2.978 2.857 3.049 . 0 0 "[ . 1 . 2]" 1
308 1 31 SER QB 1 32 GLN H 2.700 . 3.000 3.777 3.684 4.029 1.029 10 20 [*********+***-******] 1
309 1 32 GLN H 1 32 GLN HB2 2.400 . 2.700 2.911 2.800 3.007 0.307 16 0 "[ . 1 . 2]" 1
310 1 29 LEU QD 1 32 GLN H 6.200 . 6.500 4.477 3.677 4.907 . 0 0 "[ . 1 . 2]" 1
311 1 30 PHE HA 1 32 GLN H 4.900 . 5.200 4.356 4.174 4.533 . 0 0 "[ . 1 . 2]" 1
312 1 30 PHE QD 1 32 GLN H 6.500 . 6.500 5.966 4.967 6.181 . 0 0 "[ . 1 . 2]" 1
313 1 32 GLN H 1 37 GLN HE21 5.800 . 6.100 5.867 5.490 6.085 . 0 0 "[ . 1 . 2]" 1
314 1 32 GLN HA 1 32 GLN HB2 2.700 . 3.000 2.837 2.782 2.867 . 0 0 "[ . 1 . 2]" 1
315 1 24 PRO QB 1 32 GLN QE 3.800 . 4.100 2.249 1.859 3.005 . 0 0 "[ . 1 . 2]" 1
316 1 32 GLN HA 1 32 GLN QE 2.300 . 2.600 3.428 2.985 3.646 1.046 9 18 "[****. -*+***********]" 1
317 1 32 GLN HB2 1 32 GLN QE 2.500 . 2.800 2.077 1.932 2.198 . 0 0 "[ . 1 . 2]" 1
318 1 32 GLN QE 1 56 ALA MB 6.200 . 6.500 5.279 4.886 5.806 . 0 0 "[ . 1 . 2]" 1
319 1 33 ASP H 1 33 ASP HA 2.800 . 3.100 2.933 2.904 2.946 . 0 0 "[ . 1 . 2]" 1
320 1 33 ASP H 1 33 ASP HB2 2.200 . 2.500 2.402 2.313 2.480 . 0 0 "[ . 1 . 2]" 1
321 1 33 ASP H 1 33 ASP HB3 3.500 . 3.800 3.631 3.577 3.672 . 0 0 "[ . 1 . 2]" 1
322 1 33 ASP H 1 34 VAL H 4.500 . 4.800 4.313 4.264 4.362 . 0 0 "[ . 1 . 2]" 1
323 1 33 ASP H 1 34 VAL HA 5.500 . 5.800 5.108 5.057 5.244 . 0 0 "[ . 1 . 2]" 1
324 1 33 ASP H 1 35 LEU H 5.600 . 5.900 5.256 5.098 5.406 . 0 0 "[ . 1 . 2]" 1
325 1 33 ASP H 1 36 LEU H 5.300 . 5.600 4.572 4.367 4.739 . 0 0 "[ . 1 . 2]" 1
326 1 32 GLN HA 1 33 ASP H 2.600 . 2.900 2.588 2.549 2.594 . 0 0 "[ . 1 . 2]" 1
327 1 32 GLN HB2 1 33 ASP H 3.800 . 4.100 3.759 3.739 3.817 . 0 0 "[ . 1 . 2]" 1
328 1 33 ASP H 1 36 LEU HB2 4.900 . 5.200 3.699 3.379 3.877 . 0 0 "[ . 1 . 2]" 1
329 1 33 ASP HA 1 33 ASP HB2 3.000 . 3.300 3.015 3.002 3.026 . 0 0 "[ . 1 . 2]" 1
330 1 33 ASP HA 1 33 ASP HB3 2.700 . 3.000 2.554 2.487 2.609 . 0 0 "[ . 1 . 2]" 1
331 1 33 ASP HB2 1 36 LEU QD 2.600 . 2.900 2.010 1.877 2.301 . 0 0 "[ . 1 . 2]" 1
332 1 34 VAL H 1 34 VAL HA 2.800 . 3.100 2.778 2.766 2.794 . 0 0 "[ . 1 . 2]" 1
333 1 34 VAL H 1 34 VAL HB 2.700 . 3.000 2.538 2.412 2.605 . 0 0 "[ . 1 . 2]" 1
334 1 34 VAL H 1 34 VAL MG1 2.100 . 2.400 2.159 2.017 2.349 . 0 0 "[ . 1 . 2]" 1
335 1 34 VAL H 1 34 VAL MG2 4.400 . 4.700 3.759 3.740 3.764 . 0 0 "[ . 1 . 2]" 1
336 1 34 VAL H 1 35 LEU H 2.500 . 2.800 2.716 2.674 2.748 . 0 0 "[ . 1 . 2]" 1
337 1 34 VAL H 1 36 LEU H 4.300 . 4.600 4.206 4.149 4.301 . 0 0 "[ . 1 . 2]" 1
338 1 32 GLN HA 1 34 VAL H 5.900 . 6.200 5.899 5.675 6.106 . 0 0 "[ . 1 . 2]" 1
339 1 33 ASP HA 1 34 VAL H 2.100 . 2.400 2.145 2.139 2.163 . 0 0 "[ . 1 . 2]" 1
340 1 33 ASP HB2 1 34 VAL H 4.500 . 4.800 4.430 4.383 4.479 . 0 0 "[ . 1 . 2]" 1
341 1 33 ASP HB3 1 34 VAL H 3.500 . 3.800 3.609 3.450 3.760 . 0 0 "[ . 1 . 2]" 1
342 1 34 VAL H 1 35 LEU QD 5.100 . 5.400 5.290 4.054 5.641 0.241 10 0 "[ . 1 . 2]" 1
343 1 34 VAL H 1 36 LEU HB2 5.800 . 6.100 5.509 5.377 5.702 . 0 0 "[ . 1 . 2]" 1
344 1 32 GLN HB3 1 34 VAL H 5.500 . 5.800 4.850 4.732 4.962 . 0 0 "[ . 1 . 2]" 1
345 1 33 ASP HA 1 34 VAL MG1 3.900 . 4.200 3.716 3.636 3.861 . 0 0 "[ . 1 . 2]" 1
346 1 33 ASP HB2 1 34 VAL MG1 5.900 . 6.200 5.360 5.177 5.505 . 0 0 "[ . 1 . 2]" 1
347 1 33 ASP HB3 1 34 VAL MG1 4.500 . 4.800 4.200 3.899 4.442 . 0 0 "[ . 1 . 2]" 1
348 1 34 VAL HB 1 34 VAL MG1 2.200 . 2.500 2.110 2.084 2.129 . 0 0 "[ . 1 . 2]" 1
349 1 34 VAL MG1 1 34 VAL MG2 2.100 . 2.400 2.008 1.904 2.095 . 0 0 "[ . 1 . 2]" 1
350 1 34 VAL MG1 1 35 LEU HA 3.900 . 4.200 3.306 3.066 3.504 . 0 0 "[ . 1 . 2]" 1
351 1 34 VAL MG1 1 35 LEU HB3 5.200 . 5.500 4.444 4.185 4.560 . 0 0 "[ . 1 . 2]" 1
352 1 34 VAL MG1 1 35 LEU QD 3.500 . 3.800 3.388 1.896 4.167 0.367 10 0 "[ . 1 . 2]" 1
353 1 34 VAL MG1 1 41 LEU HB2 3.500 . 3.800 4.006 3.724 4.405 0.605 17 2 "[ . 1 - + 2]" 1
354 1 34 VAL MG1 1 41 LEU HB3 5.200 . 5.500 5.458 5.177 5.807 0.307 17 0 "[ . 1 . 2]" 1
355 1 34 VAL HA 1 34 VAL HB 2.400 . 2.700 2.442 2.404 2.508 . 0 0 "[ . 1 . 2]" 1
356 1 28 GLY HA3 1 34 VAL HB 6.200 . 6.500 6.769 6.442 6.990 0.490 10 0 "[ . 1 . 2]" 1
357 1 34 VAL HB 1 34 VAL MG2 2.300 . 2.600 2.096 2.084 2.123 . 0 0 "[ . 1 . 2]" 1
358 1 35 LEU H 1 35 LEU HA 2.800 . 3.100 2.820 2.796 2.853 . 0 0 "[ . 1 . 2]" 1
359 1 35 LEU H 1 35 LEU HB3 3.300 . 3.600 2.983 2.510 3.565 . 0 0 "[ . 1 . 2]" 1
360 1 35 LEU H 1 35 LEU QD 3.300 . 3.600 3.415 2.544 3.721 0.121 14 0 "[ . 1 . 2]" 1
361 1 35 LEU H 1 36 LEU H 2.700 . 3.000 2.600 2.490 2.658 . 0 0 "[ . 1 . 2]" 1
362 1 35 LEU H 1 38 TYR H 6.500 . 6.500 6.351 6.033 6.510 0.010 19 0 "[ . 1 . 2]" 1
363 1 33 ASP HB2 1 35 LEU H 4.500 . 4.800 4.123 3.988 4.301 . 0 0 "[ . 1 . 2]" 1
364 1 33 ASP HB3 1 35 LEU H 2.900 . 3.200 2.814 2.627 2.926 . 0 0 "[ . 1 . 2]" 1
365 1 34 VAL MG2 1 35 LEU H 4.200 . 4.500 3.791 3.664 3.952 . 0 0 "[ . 1 . 2]" 1
366 1 33 ASP HA 1 35 LEU H 3.600 . 3.900 3.586 3.466 3.730 . 0 0 "[ . 1 . 2]" 1
367 1 35 LEU H 1 36 LEU HB2 4.900 . 5.200 4.636 4.465 4.823 . 0 0 "[ . 1 . 2]" 1
368 1 35 LEU H 1 36 LEU HB3 6.300 . 6.500 6.117 5.975 6.243 . 0 0 "[ . 1 . 2]" 1
369 1 35 LEU H 1 36 LEU QD 3.800 . 4.100 3.350 3.248 3.629 . 0 0 "[ . 1 . 2]" 1
370 1 35 LEU H 1 37 GLN QE 5.700 . 6.000 5.168 4.997 5.403 . 0 0 "[ . 1 . 2]" 1
371 1 35 LEU HA 1 35 LEU HB3 2.800 . 3.100 2.919 2.334 3.016 . 0 0 "[ . 1 . 2]" 1
372 1 35 LEU HA 1 35 LEU QD 2.100 . 3.400 1.999 1.889 2.216 . 0 0 "[ . 1 . 2]" 1
373 1 35 LEU HA 1 36 LEU HB3 6.500 . 6.500 6.532 6.503 6.556 0.056 18 0 "[ . 1 . 2]" 1
374 1 35 LEU HA 1 41 LEU QD 2.800 . 3.100 2.910 2.565 3.097 . 0 0 "[ . 1 . 2]" 1
375 1 36 LEU H 1 36 LEU HA 2.900 . 3.200 2.927 2.906 2.939 . 0 0 "[ . 1 . 2]" 1
376 1 36 LEU H 1 36 LEU HB3 3.600 . 3.900 3.586 3.486 3.633 . 0 0 "[ . 1 . 2]" 1
377 1 36 LEU H 1 36 LEU QD 2.100 . 3.400 2.159 2.038 2.319 . 0 0 "[ . 1 . 2]" 1
378 1 33 ASP HB2 1 36 LEU H 4.100 . 4.400 3.459 3.067 3.605 . 0 0 "[ . 1 . 2]" 1
379 1 33 ASP HB3 1 36 LEU H 3.100 . 3.400 3.232 2.962 3.317 . 0 0 "[ . 1 . 2]" 1
380 1 35 LEU QD 1 36 LEU H 5.100 . 5.400 3.897 3.224 4.135 . 0 0 "[ . 1 . 2]" 1
381 1 32 GLN HA 1 36 LEU QD 6.500 . 6.500 5.331 4.664 6.160 . 0 0 "[ . 1 . 2]" 1
382 1 33 ASP HB3 1 36 LEU QD 2.200 . 2.500 2.172 1.954 2.443 . 0 0 "[ . 1 . 2]" 1
383 1 36 LEU HB3 1 36 LEU QD 2.400 . 2.700 2.179 2.041 2.313 . 0 0 "[ . 1 . 2]" 1
384 1 37 GLN H 1 37 GLN HA 2.900 . 3.200 2.934 2.914 2.946 . 0 0 "[ . 1 . 2]" 1
385 1 37 GLN H 1 37 GLN HB2 2.500 . 2.800 2.568 2.508 2.618 . 0 0 "[ . 1 . 2]" 1
386 1 37 GLN H 1 37 GLN HB3 3.700 . 4.000 3.696 3.656 3.740 . 0 0 "[ . 1 . 2]" 1
387 1 37 GLN H 1 37 GLN HG2 3.200 . 3.500 2.549 2.301 2.791 . 0 0 "[ . 1 . 2]" 1
388 1 37 GLN H 1 38 TYR H 2.600 . 2.900 2.664 2.586 2.736 . 0 0 "[ . 1 . 2]" 1
389 1 37 GLN H 1 39 PRO HA 6.400 . 6.500 6.423 6.159 6.526 0.026 12 0 "[ . 1 . 2]" 1
390 1 37 GLN H 1 37 GLN QE 4.700 . 5.000 4.459 4.013 4.568 . 0 0 "[ . 1 . 2]" 1
391 1 34 VAL MG2 1 37 GLN H 4.600 . 4.900 4.088 3.903 4.340 . 0 0 "[ . 1 . 2]" 1
392 1 37 GLN H 1 38 TYR HA 4.500 . 4.800 4.643 4.535 4.804 0.004 17 0 "[ . 1 . 2]" 1
393 1 37 GLN H 1 38 TYR HB2 5.300 . 5.600 5.346 5.201 5.436 . 0 0 "[ . 1 . 2]" 1
394 1 37 GLN H 1 38 TYR HB3 6.200 . 6.500 6.283 6.000 6.446 . 0 0 "[ . 1 . 2]" 1
395 1 37 GLN HE21 1 37 GLN HG3 3.100 . 3.400 2.799 2.602 2.926 . 0 0 "[ . 1 . 2]" 1
396 1 37 GLN HE22 1 37 GLN HG3 3.900 . 4.200 3.725 3.635 3.784 . 0 0 "[ . 1 . 2]" 1
397 1 37 GLN HA 1 37 GLN HG3 3.600 . 3.900 3.803 3.699 3.837 . 0 0 "[ . 1 . 2]" 1
398 1 36 LEU HB2 1 37 GLN HG3 6.200 . 6.500 5.885 5.819 5.942 . 0 0 "[ . 1 . 2]" 1
399 1 37 GLN HA 1 37 GLN HB3 2.600 . 2.900 2.440 2.412 2.484 . 0 0 "[ . 1 . 2]" 1
400 1 36 LEU HB2 1 37 GLN HA 4.900 . 5.200 4.890 4.861 4.947 . 0 0 "[ . 1 . 2]" 1
401 1 37 GLN HA 1 37 GLN HG2 3.000 . 3.300 3.047 2.980 3.179 . 0 0 "[ . 1 . 2]" 1
402 1 37 GLN HB3 1 37 GLN HG2 3.000 . 3.300 3.005 2.998 3.010 . 0 0 "[ . 1 . 2]" 1
403 1 37 GLN HB3 1 37 GLN HG3 2.400 . 2.700 2.493 2.377 2.541 . 0 0 "[ . 1 . 2]" 1
404 1 36 LEU HB2 1 37 GLN HB3 6.500 . 6.500 6.549 6.498 6.585 0.085 19 0 "[ . 1 . 2]" 1
405 1 29 LEU HB2 1 37 GLN HE21 5.200 . 5.500 4.680 4.274 5.185 . 0 0 "[ . 1 . 2]" 1
406 1 32 GLN HB2 1 37 GLN HE21 5.500 . 5.800 4.393 3.877 4.604 . 0 0 "[ . 1 . 2]" 1
407 1 32 GLN HB3 1 37 GLN HE21 4.200 . 4.500 3.089 2.739 3.258 . 0 0 "[ . 1 . 2]" 1
408 1 34 VAL HA 1 37 GLN HE21 3.000 . 3.300 2.584 2.244 3.019 . 0 0 "[ . 1 . 2]" 1
409 1 34 VAL MG1 1 37 GLN HE21 6.400 . 6.500 5.223 4.936 5.585 . 0 0 "[ . 1 . 2]" 1
410 1 37 GLN HB2 1 37 GLN HE21 4.400 . 4.700 4.587 4.511 4.613 . 0 0 "[ . 1 . 2]" 1
411 1 37 GLN HB3 1 37 GLN HE21 4.500 . 4.800 4.427 4.372 4.506 . 0 0 "[ . 1 . 2]" 1
412 1 37 GLN H 1 37 GLN HE21 4.700 . 5.000 4.672 4.173 4.802 . 0 0 "[ . 1 . 2]" 1
413 1 28 GLY HA2 1 37 GLN HE22 2.000 . 2.300 2.405 2.335 2.542 0.242 19 0 "[ . 1 . 2]" 1
414 1 32 GLN HB2 1 37 GLN HE22 5.800 . 6.100 4.208 3.929 4.349 . 0 0 "[ . 1 . 2]" 1
415 1 32 GLN HB3 1 37 GLN HE22 4.900 . 5.200 3.395 3.198 3.437 . 0 0 "[ . 1 . 2]" 1
416 1 34 VAL HA 1 37 GLN HE22 4.700 . 5.000 4.230 3.921 4.683 . 0 0 "[ . 1 . 2]" 1
417 1 37 GLN HB2 1 37 GLN HE22 5.300 . 5.600 5.367 5.333 5.379 . 0 0 "[ . 1 . 2]" 1
418 1 37 GLN HB3 1 37 GLN HE22 4.800 . 5.100 4.630 4.563 4.790 . 0 0 "[ . 1 . 2]" 1
419 1 37 GLN H 1 37 GLN HE22 5.700 . 6.000 5.644 5.207 5.721 . 0 0 "[ . 1 . 2]" 1
420 1 34 VAL MG2 1 38 TYR H 4.800 . 5.100 4.212 3.985 4.525 . 0 0 "[ . 1 . 2]" 1
421 1 35 LEU QD 1 38 TYR H 5.700 . 6.000 4.919 4.613 5.480 . 0 0 "[ . 1 . 2]" 1
422 1 37 GLN HB2 1 38 TYR H 2.100 . 2.400 1.923 1.898 1.946 . 0 0 "[ . 1 . 2]" 1
423 1 37 GLN HB3 1 38 TYR H 2.700 . 3.000 3.036 2.847 3.122 0.122 8 0 "[ . 1 . 2]" 1
424 1 37 GLN HG3 1 38 TYR H 4.500 . 4.800 4.274 4.208 4.372 . 0 0 "[ . 1 . 2]" 1
425 1 38 TYR H 1 41 LEU QD 2.100 . 2.400 2.023 1.854 2.268 . 0 0 "[ . 1 . 2]" 1
426 1 38 TYR H 1 39 PRO HA 4.900 . 5.200 4.895 4.839 4.933 . 0 0 "[ . 1 . 2]" 1
427 1 34 VAL HA 1 38 TYR H 5.900 . 6.200 5.438 5.222 5.599 . 0 0 "[ . 1 . 2]" 1
428 1 38 TYR H 1 40 GLU HG2 4.000 . 4.300 4.173 4.068 4.318 0.018 17 0 "[ . 1 . 2]" 1
429 1 38 TYR H 1 38 TYR QD 4.600 . 4.900 4.125 3.682 4.243 . 0 0 "[ . 1 . 2]" 1
430 1 38 TYR H 1 38 TYR HB2 2.900 . 3.200 2.866 2.750 2.908 . 0 0 "[ . 1 . 2]" 1
431 1 38 TYR H 1 38 TYR HB3 3.800 . 4.100 3.730 3.395 3.834 . 0 0 "[ . 1 . 2]" 1
432 1 38 TYR H 1 38 TYR HA 2.900 . 3.200 2.882 2.865 2.913 . 0 0 "[ . 1 . 2]" 1
433 1 40 GLU H 1 40 GLU HA 2.800 . 3.100 2.834 2.799 2.863 . 0 0 "[ . 1 . 2]" 1
434 1 40 GLU H 1 40 GLU HG2 2.500 . 2.800 2.446 2.385 2.528 . 0 0 "[ . 1 . 2]" 1
435 1 40 GLU H 1 40 GLU HG3 4.100 . 4.400 3.903 3.699 4.063 . 0 0 "[ . 1 . 2]" 1
436 1 40 GLU H 1 41 LEU HA 4.400 . 4.700 4.388 4.352 4.421 . 0 0 "[ . 1 . 2]" 1
437 1 40 GLU H 1 41 LEU QD 2.800 . 3.100 2.474 2.393 2.571 . 0 0 "[ . 1 . 2]" 1
438 1 40 GLU H 1 41 LEU H 2.000 . 2.900 1.888 1.875 1.900 . 0 0 "[ . 1 . 2]" 1
439 1 40 GLU H 1 41 LEU QB 5.000 . 5.300 4.559 4.528 4.605 . 0 0 "[ . 1 . 2]" 1
440 1 40 GLU H 1 42 ALA H 2.700 . 3.000 2.529 2.305 2.915 . 0 0 "[ . 1 . 2]" 1
441 1 40 GLU H 1 42 ALA MB 3.700 . 4.000 3.326 2.966 3.487 . 0 0 "[ . 1 . 2]" 1
442 1 38 TYR HA 1 40 GLU H 5.100 . 5.400 4.938 4.841 5.155 . 0 0 "[ . 1 . 2]" 1
443 1 38 TYR HB2 1 40 GLU H 5.000 . 5.300 4.885 4.661 5.265 . 0 0 "[ . 1 . 2]" 1
444 1 38 TYR HB3 1 40 GLU H 4.600 . 4.900 4.268 3.854 4.602 . 0 0 "[ . 1 . 2]" 1
445 1 41 LEU H 1 41 LEU HA 2.900 . 3.200 2.931 2.922 2.942 . 0 0 "[ . 1 . 2]" 1
446 1 41 LEU H 1 41 LEU QB 3.100 . 3.400 2.892 2.853 2.947 . 0 0 "[ . 1 . 2]" 1
447 1 41 LEU H 1 41 LEU QD 2.000 . 2.900 1.661 1.636 1.676 0.164 5 0 "[ . 1 . 2]" 1
448 1 41 LEU H 1 42 ALA HA 4.600 . 4.900 4.606 4.505 4.689 . 0 0 "[ . 1 . 2]" 1
449 1 41 LEU H 1 42 ALA H 2.600 . 2.900 2.465 2.237 2.780 . 0 0 "[ . 1 . 2]" 1
450 1 40 GLU HA 1 41 LEU H 3.500 . 3.800 3.521 3.508 3.529 . 0 0 "[ . 1 . 2]" 1
451 1 40 GLU HG2 1 41 LEU H 2.100 . 2.400 2.112 2.050 2.187 . 0 0 "[ . 1 . 2]" 1
452 1 40 GLU HG3 1 41 LEU H 3.300 . 3.600 2.969 2.647 3.259 . 0 0 "[ . 1 . 2]" 1
453 1 35 LEU QD 1 41 LEU H 5.800 . 6.100 5.232 4.808 5.550 . 0 0 "[ . 1 . 2]" 1
454 1 34 VAL MG2 1 41 LEU H 5.100 . 5.400 4.486 4.286 4.913 . 0 0 "[ . 1 . 2]" 1
455 1 38 TYR HA 1 41 LEU H 5.600 . 5.900 5.590 5.492 5.731 . 0 0 "[ . 1 . 2]" 1
456 1 38 TYR HB3 1 41 LEU H 4.900 . 5.200 4.547 3.946 4.831 . 0 0 "[ . 1 . 2]" 1
457 1 40 GLU HG3 1 41 LEU HA 4.800 . 5.100 4.423 4.005 4.852 . 0 0 "[ . 1 . 2]" 1
458 1 41 LEU QB 1 41 LEU QD 2.100 . 2.400 1.939 1.923 1.958 . 0 0 "[ . 1 . 2]" 1
459 1 41 LEU QD 1 42 ALA MB 3.900 . 4.200 3.091 2.812 3.338 . 0 0 "[ . 1 . 2]" 1
460 1 36 LEU HA 1 41 LEU QD 5.500 . 5.800 5.169 4.952 5.588 . 0 0 "[ . 1 . 2]" 1
461 1 40 GLU QB 1 41 LEU QD 3.500 . 4.400 3.264 3.093 3.382 . 0 0 "[ . 1 . 2]" 1
462 1 41 LEU HB3 1 41 LEU QD 2.100 . 3.000 2.035 2.008 2.066 . 0 0 "[ . 1 . 2]" 1
463 1 41 LEU HB2 1 41 LEU QD 2.700 . 3.000 2.443 2.424 2.457 . 0 0 "[ . 1 . 2]" 1
464 1 42 ALA H 1 42 ALA HA 2.900 . 3.200 2.821 2.763 2.869 . 0 0 "[ . 1 . 2]" 1
465 1 42 ALA H 1 42 ALA MB 2.200 . 2.800 2.191 2.061 2.257 . 0 0 "[ . 1 . 2]" 1
466 1 42 ALA H 1 43 GLU H 2.800 . 3.100 2.597 2.448 2.754 . 0 0 "[ . 1 . 2]" 1
467 1 40 GLU QB 1 42 ALA H 5.200 . 5.500 4.713 4.676 4.767 . 0 0 "[ . 1 . 2]" 1
468 1 41 LEU HA 1 42 ALA H 3.000 . 3.300 3.125 2.969 3.212 . 0 0 "[ . 1 . 2]" 1
469 1 41 LEU QB 1 42 ALA H 4.400 . 4.700 3.924 3.872 3.992 . 0 0 "[ . 1 . 2]" 1
470 1 41 LEU QD 1 42 ALA H 2.800 . 3.100 2.386 2.204 2.721 . 0 0 "[ . 1 . 2]" 1
471 1 42 ALA H 1 45 TYR H 4.600 . 4.900 5.032 4.679 5.309 0.409 2 0 "[ . 1 . 2]" 1
472 1 40 GLU HG2 1 42 ALA H 4.500 . 4.800 4.339 4.172 4.673 . 0 0 "[ . 1 . 2]" 1
473 1 35 LEU QD 1 42 ALA H 4.600 . 4.900 4.012 3.805 4.294 . 0 0 "[ . 1 . 2]" 1
474 1 38 TYR HB3 1 42 ALA H 6.500 . 6.500 6.525 6.443 6.551 0.051 13 0 "[ . 1 . 2]" 1
475 1 42 ALA HA 1 42 ALA MB 2.300 . 2.600 2.116 2.083 2.128 . 0 0 "[ . 1 . 2]" 1
476 1 35 LEU QD 1 42 ALA HA 2.200 . 2.500 2.192 1.887 2.775 0.275 10 0 "[ . 1 . 2]" 1
477 1 41 LEU QD 1 42 ALA HA 3.200 . 3.500 2.766 2.707 2.886 . 0 0 "[ . 1 . 2]" 1
478 1 43 GLU H 1 43 GLU HA 2.900 . 3.200 2.838 2.796 2.861 . 0 0 "[ . 1 . 2]" 1
479 1 43 GLU H 1 43 GLU QB 2.400 . 2.700 2.252 2.061 2.489 . 0 0 "[ . 1 . 2]" 1
480 1 43 GLU H 1 43 GLU QG 4.400 . 4.700 3.254 2.093 3.989 . 0 0 "[ . 1 . 2]" 1
481 1 43 GLU H 1 44 SER HA 5.000 . 5.300 5.222 5.138 5.368 0.068 5 0 "[ . 1 . 2]" 1
482 1 43 GLU H 1 44 SER H 2.400 . 3.000 2.612 2.511 2.786 . 0 0 "[ . 1 . 2]" 1
483 1 43 GLU H 1 45 TYR H 4.100 . 4.400 3.951 3.798 4.105 . 0 0 "[ . 1 . 2]" 1
484 1 43 GLU H 1 46 THR MG 4.900 . 5.200 4.950 3.866 5.784 0.584 2 1 "[ + . 1 . 2]" 1
485 1 42 ALA MB 1 43 GLU H 2.400 . 2.700 2.851 2.519 2.955 0.255 19 0 "[ . 1 . 2]" 1
486 1 41 LEU QD 1 43 GLU H 5.500 . 5.800 4.149 4.046 4.511 . 0 0 "[ . 1 . 2]" 1
487 1 35 LEU QD 1 43 GLU H 5.000 . 5.300 4.663 4.321 5.036 . 0 0 "[ . 1 . 2]" 1
488 1 44 SER H 1 44 SER HA 2.800 . 3.100 2.814 2.764 2.872 . 0 0 "[ . 1 . 2]" 1
489 1 44 SER H 1 44 SER QB 2.100 . 2.700 2.184 2.068 2.362 . 0 0 "[ . 1 . 2]" 1
490 1 44 SER H 1 45 TYR HB3 4.600 . 4.900 4.824 4.471 5.308 0.408 8 0 "[ . 1 . 2]" 1
491 1 44 SER H 1 45 TYR H 2.700 . 3.000 2.607 2.420 2.745 . 0 0 "[ . 1 . 2]" 1
492 1 41 LEU HA 1 44 SER H 3.500 . 3.800 3.367 3.126 3.534 . 0 0 "[ . 1 . 2]" 1
493 1 42 ALA HA 1 44 SER H 4.700 . 5.000 4.396 3.916 4.789 . 0 0 "[ . 1 . 2]" 1
494 1 42 ALA MB 1 44 SER H 4.400 . 4.700 4.709 4.397 4.942 0.242 19 0 "[ . 1 . 2]" 1
495 1 42 ALA H 1 44 SER H 3.500 . 3.800 4.352 3.855 4.603 0.803 20 13 "[*-**.* 1****** *+]" 1
496 1 43 GLU QB 1 44 SER H 2.800 . 3.100 2.576 2.326 2.803 . 0 0 "[ . 1 . 2]" 1
497 1 43 GLU QG 1 44 SER H 3.900 . 4.200 4.123 3.829 4.556 0.356 8 0 "[ . 1 . 2]" 1
498 1 44 SER H 1 44 SER HG 3.100 . 3.400 2.832 2.480 3.212 . 0 0 "[ . 1 . 2]" 1
499 1 41 LEU HB2 1 44 SER QB 4.800 . 5.100 3.644 2.743 4.127 . 0 0 "[ . 1 . 2]" 1
500 1 43 GLU QB 1 44 SER QB 4.500 . 4.800 3.871 3.670 4.057 . 0 0 "[ . 1 . 2]" 1
501 1 45 TYR H 1 45 TYR HA 2.900 . 3.200 2.769 2.731 2.908 . 0 0 "[ . 1 . 2]" 1
502 1 45 TYR H 1 45 TYR HB3 2.200 . 2.800 2.505 2.361 2.953 0.153 8 0 "[ . 1 . 2]" 1
503 1 45 TYR H 1 46 THR MG 4.400 . 4.700 4.006 3.577 4.378 . 0 0 "[ . 1 . 2]" 1
504 1 45 TYR H 1 46 THR H 2.500 . 2.800 2.821 2.529 3.005 0.205 16 0 "[ . 1 . 2]" 1
505 1 45 TYR H 1 47 LYS H 3.600 . 3.900 4.174 3.577 4.507 0.607 10 4 "[ . + *-. *]" 1
506 1 45 TYR H 1 48 VAL QG 5.700 . 6.000 4.547 4.309 4.750 . 0 0 "[ . 1 . 2]" 1
507 1 43 GLU QB 1 45 TYR H 5.100 . 5.400 4.518 4.374 4.703 . 0 0 "[ . 1 . 2]" 1
508 1 44 SER QB 1 45 TYR H 3.600 . 3.900 3.448 3.270 3.547 . 0 0 "[ . 1 . 2]" 1
509 1 44 SER HA 1 45 TYR H 3.500 . 3.800 3.482 3.473 3.531 . 0 0 "[ . 1 . 2]" 1
510 1 44 SER HG 1 45 TYR H 2.500 . 2.800 2.459 2.124 2.808 0.008 20 0 "[ . 1 . 2]" 1
511 1 46 THR H 1 46 THR HA 2.800 . 3.100 2.816 2.757 2.857 . 0 0 "[ . 1 . 2]" 1
512 1 45 TYR HA 1 46 THR H 3.600 . 3.900 3.530 3.487 3.569 . 0 0 "[ . 1 . 2]" 1
513 1 46 THR H 1 46 THR MG 2.100 . 2.400 2.084 1.873 2.337 . 0 0 "[ . 1 . 2]" 1
514 1 46 THR H 1 47 LYS HA 5.300 . 5.600 5.237 5.104 5.397 . 0 0 "[ . 1 . 2]" 1
515 1 46 THR H 1 47 LYS QB 4.900 . 5.200 4.367 4.217 4.559 . 0 0 "[ . 1 . 2]" 1
516 1 46 THR H 1 47 LYS H 2.800 . 3.100 2.641 2.502 2.822 . 0 0 "[ . 1 . 2]" 1
517 1 46 THR H 1 48 VAL QG 5.800 . 6.100 4.702 4.506 4.842 . 0 0 "[ . 1 . 2]" 1
518 1 45 TYR HB3 1 46 THR H 2.900 . 3.200 2.597 2.202 2.903 . 0 0 "[ . 1 . 2]" 1
519 1 44 SER HG 1 46 THR H 4.900 . 5.200 5.055 4.776 5.401 0.201 15 0 "[ . 1 . 2]" 1
520 1 44 SER H 1 46 THR H 4.500 . 4.800 4.487 4.136 4.813 0.013 11 0 "[ . 1 . 2]" 1
521 1 47 LYS H 1 47 LYS HA 2.800 . 3.100 2.804 2.759 2.858 . 0 0 "[ . 1 . 2]" 1
522 1 47 LYS H 1 47 LYS QB 2.500 . 2.800 2.194 2.041 2.248 . 0 0 "[ . 1 . 2]" 1
523 1 47 LYS H 1 47 LYS QE 4.900 . 5.200 5.068 4.053 5.432 0.232 18 0 "[ . 1 . 2]" 1
524 1 47 LYS H 1 47 LYS QD 4.400 . 4.700 4.129 3.655 4.446 . 0 0 "[ . 1 . 2]" 1
525 1 47 LYS H 1 47 LYS QG 4.400 . 4.700 3.843 3.017 4.042 . 0 0 "[ . 1 . 2]" 1
526 1 47 LYS H 1 48 VAL QG 4.400 . 4.700 3.886 3.592 4.183 . 0 0 "[ . 1 . 2]" 1
527 1 47 LYS H 1 49 CYS H 4.600 . 4.900 4.236 4.049 4.462 . 0 0 "[ . 1 . 2]" 1
528 1 45 TYR HB3 1 47 LYS H 5.000 . 5.300 4.951 4.576 5.353 0.053 13 0 "[ . 1 . 2]" 1
529 1 46 THR HA 1 47 LYS H 3.500 . 3.800 3.516 3.461 3.558 . 0 0 "[ . 1 . 2]" 1
530 1 46 THR HB 1 47 LYS H 4.000 . 4.300 3.905 3.647 4.094 . 0 0 "[ . 1 . 2]" 1
531 1 47 LYS QD 1 47 LYS QE 2.200 . 2.500 2.034 2.016 2.091 . 0 0 "[ . 1 . 2]" 1
532 1 46 THR HA 1 47 LYS QD 6.500 . 6.500 6.526 6.330 6.628 0.128 14 0 "[ . 1 . 2]" 1
533 1 48 VAL H 1 48 VAL HA 2.900 . 3.200 2.939 2.919 2.949 . 0 0 "[ . 1 . 2]" 1
534 1 48 VAL H 1 48 VAL HB 2.500 . 2.800 2.823 2.696 2.983 0.183 16 0 "[ . 1 . 2]" 1
535 1 48 VAL H 1 48 VAL QG 2.500 . 2.800 2.144 2.043 2.354 . 0 0 "[ . 1 . 2]" 1
536 1 48 VAL H 1 49 CYS H 2.500 . 2.800 2.640 2.315 2.904 0.104 20 0 "[ . 1 . 2]" 1
537 1 46 THR HB 1 48 VAL H 5.200 . 5.500 5.513 5.174 5.786 0.286 2 0 "[ . 1 . 2]" 1
538 1 46 THR H 1 48 VAL H 4.300 . 4.600 4.113 3.899 4.303 . 0 0 "[ . 1 . 2]" 1
539 1 47 LYS QB 1 48 VAL H 3.000 . 3.300 2.887 2.449 3.431 0.131 14 0 "[ . 1 . 2]" 1
540 1 47 LYS QE 1 48 VAL H 4.600 . 4.900 4.914 4.054 6.059 1.159 12 4 "[ .*- *1 + . 2]" 1
541 1 48 VAL H 1 49 CYS HA 4.600 . 4.900 4.572 4.207 4.803 . 0 0 "[ . 1 . 2]" 1
542 1 47 LYS QD 1 48 VAL HB 4.500 . 4.800 4.335 2.308 5.312 0.512 14 3 "[ * . - 1 +. 2]" 1
543 1 49 CYS H 1 49 CYS HA 2.800 . 3.100 2.435 2.272 2.774 . 0 0 "[ . 1 . 2]" 1
544 1 48 VAL HA 1 49 CYS H 3.600 . 3.900 2.987 2.816 3.562 . 0 0 "[ . 1 . 2]" 1
545 1 48 VAL QG 1 49 CYS H 3.600 . 3.900 3.531 3.108 3.751 . 0 0 "[ . 1 . 2]" 1
546 1 46 THR HB 1 49 CYS H 5.400 . 5.700 5.311 4.830 5.565 . 0 0 "[ . 1 . 2]" 1
547 1 47 LYS QB 1 49 CYS H 5.400 . 5.700 4.714 4.553 5.123 . 0 0 "[ . 1 . 2]" 1
548 1 47 LYS QE 1 49 CYS H 6.500 . 6.500 6.067 4.937 6.524 0.024 12 0 "[ . 1 . 2]" 1
549 1 46 THR MG 1 49 CYS H 5.600 . 5.900 5.307 4.833 5.714 . 0 0 "[ . 1 . 2]" 1
550 1 51 ASN H 1 51 ASN HA 2.300 . 2.900 2.414 2.274 2.747 . 0 0 "[ . 1 . 2]" 1
551 1 51 ASN H 1 51 ASN QB 3.600 . 3.900 3.001 2.179 3.436 . 0 0 "[ . 1 . 2]" 1
552 1 50 PRO HB3 1 51 ASN H 4.500 . 4.800 4.555 4.404 4.654 . 0 0 "[ . 1 . 2]" 1
553 1 49 CYS HA 1 51 ASN H 5.200 . 5.500 4.827 4.507 5.064 . 0 0 "[ . 1 . 2]" 1
554 1 51 ASN HA 1 51 ASN QB 2.400 . 2.700 2.397 2.292 2.541 . 0 0 "[ . 1 . 2]" 1
555 1 32 GLN HA 1 51 ASN QD 6.300 . 6.500 5.367 4.948 5.933 . 0 0 "[ . 1 . 2]" 1
556 1 49 CYS HA 1 51 ASN QD 6.500 . 6.500 6.738 4.531 7.552 1.052 5 14 "[****+* * 1-* ** ***2]" 1
557 1 51 ASN HA 1 51 ASN QD 2.000 . 2.300 2.081 1.929 2.262 . 0 0 "[ . 1 . 2]" 1
558 1 51 ASN QB 1 51 ASN QD 2.700 . 3.000 2.525 2.382 2.582 . 0 0 "[ . 1 . 2]" 1
559 1 51 ASN QD 1 52 ARG HA 6.200 . 6.500 5.872 5.172 6.117 . 0 0 "[ . 1 . 2]" 1
560 1 51 ASN QD 1 52 ARG QB 5.800 . 6.100 5.619 4.831 5.968 . 0 0 "[ . 1 . 2]" 1
561 1 51 ASN HA 1 52 ARG H 2.400 . 3.000 2.185 2.143 2.272 . 0 0 "[ . 1 . 2]" 1
562 1 51 ASN QB 1 52 ARG H 2.400 . 2.700 3.277 2.836 3.631 0.931 11 14 "[ * *** **+****-* *]" 1
563 1 52 ARG H 1 52 ARG QB 3.100 . 3.400 2.633 2.395 2.873 . 0 0 "[ . 1 . 2]" 1
564 1 52 ARG H 1 53 CYS H 2.000 . 2.300 2.428 1.932 2.907 0.607 11 1 "[ . 1+ . 2]" 1
565 1 52 ARG H 1 57 THR H 5.300 . 5.600 5.642 5.012 5.870 0.270 15 0 "[ . 1 . 2]" 1
566 1 51 ASN QD 1 52 ARG H 5.300 . 5.600 3.690 2.818 4.077 . 0 0 "[ . 1 . 2]" 1
567 1 48 VAL QG 1 52 ARG QB 5.000 . 5.300 3.862 2.838 4.709 . 0 0 "[ . 1 . 2]" 1
568 1 52 ARG HA 1 53 CYS H 2.900 . 3.200 2.926 2.758 3.051 . 0 0 "[ . 1 . 2]" 1
569 1 52 ARG QB 1 53 CYS H 4.400 . 4.700 3.782 3.680 3.871 . 0 0 "[ . 1 . 2]" 1
570 1 53 CYS H 1 57 THR H 4.100 . 4.400 3.879 3.471 4.017 . 0 0 "[ . 1 . 2]" 1
571 1 53 CYS H 1 83 MET QG 5.200 . 5.500 3.790 3.294 3.945 . 0 0 "[ . 1 . 2]" 1
572 1 51 ASN H 1 53 CYS H 6.200 . 6.500 5.733 5.481 5.918 . 0 0 "[ . 1 . 2]" 1
573 1 52 ARG QB 1 53 CYS QB 6.300 . 6.500 5.032 4.489 5.266 . 0 0 "[ . 1 . 2]" 1
574 1 54 ASP H 1 54 ASP HA 2.800 . 3.100 2.782 2.764 2.794 . 0 0 "[ . 1 . 2]" 1
575 1 54 ASP H 1 54 ASP HB2 3.100 . 3.400 3.108 3.081 3.145 . 0 0 "[ . 1 . 2]" 1
576 1 51 ASN HA 1 54 ASP H 6.500 . 6.500 5.990 5.460 6.401 . 0 0 "[ . 1 . 2]" 1
577 1 53 CYS HA 1 54 ASP H 3.600 . 3.900 3.550 3.539 3.565 . 0 0 "[ . 1 . 2]" 1
578 1 53 CYS QB 1 54 ASP H 2.100 . 2.700 1.932 1.882 2.093 . 0 0 "[ . 1 . 2]" 1
579 1 54 ASP H 1 57 THR H 2.800 . 3.100 2.716 2.556 2.908 . 0 0 "[ . 1 . 2]" 1
580 1 54 ASP H 1 57 THR MG 5.400 . 5.700 5.002 4.688 5.312 . 0 0 "[ . 1 . 2]" 1
581 1 54 ASP H 1 58 ALA H 4.700 . 5.000 4.605 4.307 4.831 . 0 0 "[ . 1 . 2]" 1
582 1 54 ASP H 1 59 ALA H 6.300 . 6.500 6.294 6.096 6.419 . 0 0 "[ . 1 . 2]" 1
583 1 54 ASP HA 1 54 ASP HB2 2.900 . 3.200 2.914 2.880 2.927 . 0 0 "[ . 1 . 2]" 1
584 1 54 ASP HA 1 54 ASP HB3 2.800 . 3.100 2.776 2.759 2.819 . 0 0 "[ . 1 . 2]" 1
585 1 55 LEU H 1 55 LEU HA 2.800 . 3.100 2.824 2.788 2.847 . 0 0 "[ . 1 . 2]" 1
586 1 55 LEU H 1 55 LEU HB2 3.600 . 3.900 3.570 3.526 3.591 . 0 0 "[ . 1 . 2]" 1
587 1 55 LEU H 1 55 LEU HB3 2.700 . 3.000 2.650 2.348 2.893 . 0 0 "[ . 1 . 2]" 1
588 1 55 LEU H 1 55 LEU QD 3.100 . 3.400 2.019 1.794 2.329 0.006 19 0 "[ . 1 . 2]" 1
589 1 55 LEU H 1 56 ALA H 2.800 . 3.100 2.604 2.526 2.744 . 0 0 "[ . 1 . 2]" 1
590 1 54 ASP HA 1 55 LEU H 3.600 . 3.900 3.556 3.546 3.570 . 0 0 "[ . 1 . 2]" 1
591 1 54 ASP HB2 1 55 LEU H 2.800 . 3.100 2.574 2.507 2.716 . 0 0 "[ . 1 . 2]" 1
592 1 54 ASP HB3 1 55 LEU H 2.300 . 2.600 2.254 2.124 2.513 . 0 0 "[ . 1 . 2]" 1
593 1 53 CYS HA 1 55 LEU H 5.700 . 6.000 5.709 5.506 5.796 . 0 0 "[ . 1 . 2]" 1
594 1 32 GLN HA 1 55 LEU H 6.500 . 6.500 6.521 6.501 6.568 0.068 11 0 "[ . 1 . 2]" 1
595 1 21 LEU MD1 1 55 LEU HB3 2.300 . 4.600 1.906 1.879 1.933 . 0 0 "[ . 1 . 2]" 1
596 1 56 ALA H 1 56 ALA HA 2.800 . 3.100 2.864 2.831 2.914 . 0 0 "[ . 1 . 2]" 1
597 1 56 ALA H 1 56 ALA MB 2.100 . 2.400 2.208 2.033 2.311 . 0 0 "[ . 1 . 2]" 1
598 1 56 ALA H 1 57 THR HB 5.300 . 5.600 4.808 4.453 5.005 . 0 0 "[ . 1 . 2]" 1
599 1 56 ALA H 1 57 THR H 2.600 . 2.900 2.458 2.235 2.569 . 0 0 "[ . 1 . 2]" 1
600 1 56 ALA H 1 58 ALA H 4.600 . 4.900 4.114 3.782 4.552 . 0 0 "[ . 1 . 2]" 1
601 1 56 ALA H 1 60 ASP H 5.800 . 6.100 5.759 5.574 5.937 . 0 0 "[ . 1 . 2]" 1
602 1 54 ASP H 1 56 ALA H 3.000 . 3.300 2.595 2.269 2.814 . 0 0 "[ . 1 . 2]" 1
603 1 54 ASP HA 1 56 ALA H 4.900 . 5.200 4.500 4.030 4.795 . 0 0 "[ . 1 . 2]" 1
604 1 54 ASP HB2 1 56 ALA H 5.200 . 5.500 4.569 4.339 4.914 . 0 0 "[ . 1 . 2]" 1
605 1 54 ASP HB3 1 56 ALA H 5.000 . 5.300 4.609 4.328 4.944 . 0 0 "[ . 1 . 2]" 1
606 1 55 LEU HB2 1 56 ALA H 3.400 . 3.700 3.783 3.558 4.222 0.522 19 1 "[ . 1 . +2]" 1
607 1 55 LEU QD 1 56 ALA H 2.400 . 3.700 2.679 1.788 3.094 0.012 19 0 "[ . 1 . 2]" 1
608 1 56 ALA H 1 59 ALA H 4.800 . 5.100 4.697 4.531 4.814 . 0 0 "[ . 1 . 2]" 1
609 1 32 GLN HA 1 56 ALA H 6.000 . 6.300 4.839 4.520 5.415 . 0 0 "[ . 1 . 2]" 1
610 1 51 ASN QB 1 56 ALA HA 5.100 . 5.400 4.209 3.826 4.535 . 0 0 "[ . 1 . 2]" 1
611 1 55 LEU HA 1 56 ALA HA 4.800 . 5.100 4.727 4.645 4.778 . 0 0 "[ . 1 . 2]" 1
612 1 56 ALA HA 1 57 THR HB 6.100 . 6.400 5.910 5.841 6.017 . 0 0 "[ . 1 . 2]" 1
613 1 56 ALA HA 1 57 THR HG1 5.700 . 6.000 5.371 5.026 5.821 . 0 0 "[ . 1 . 2]" 1
614 1 56 ALA HA 1 58 ALA MB 6.200 . 6.500 5.329 5.185 5.506 . 0 0 "[ . 1 . 2]" 1
615 1 50 PRO HA 1 51 ASN H 2.300 . 2.600 2.438 2.259 2.636 0.036 18 0 "[ . 1 . 2]" 1
616 1 56 ALA HA 1 57 THR H 3.500 . 3.800 3.494 3.476 3.542 . 0 0 "[ . 1 . 2]" 1
617 1 56 ALA MB 1 57 THR H 3.100 . 3.400 2.772 2.513 2.901 . 0 0 "[ . 1 . 2]" 1
618 1 57 THR H 1 57 THR HB 2.800 . 3.100 2.581 2.464 2.765 . 0 0 "[ . 1 . 2]" 1
619 1 57 THR H 1 57 THR HG1 2.200 . 2.500 2.270 2.053 2.751 0.251 14 0 "[ . 1 . 2]" 1
620 1 57 THR H 1 57 THR MG 4.300 . 4.600 3.775 3.736 3.790 . 0 0 "[ . 1 . 2]" 1
621 1 57 THR H 1 58 ALA H 2.700 . 3.000 2.516 2.400 2.770 . 0 0 "[ . 1 . 2]" 1
622 1 57 THR H 1 59 ALA H 4.000 . 4.300 4.050 3.811 4.289 . 0 0 "[ . 1 . 2]" 1
623 1 57 THR H 1 60 ASP H 4.500 . 4.800 4.596 4.438 4.770 . 0 0 "[ . 1 . 2]" 1
624 1 54 ASP HB2 1 57 THR H 5.400 . 5.700 5.323 5.160 5.475 . 0 0 "[ . 1 . 2]" 1
625 1 55 LEU H 1 57 THR H 3.900 . 4.200 4.057 3.896 4.261 0.061 14 0 "[ . 1 . 2]" 1
626 1 55 LEU QD 1 57 THR H 5.000 . 5.300 4.453 3.651 4.777 . 0 0 "[ . 1 . 2]" 1
627 1 54 ASP HB3 1 57 THR HB 5.500 . 5.800 5.588 5.255 5.673 . 0 0 "[ . 1 . 2]" 1
628 1 57 THR HB 1 57 THR MG 2.200 . 2.500 2.122 2.094 2.135 . 0 0 "[ . 1 . 2]" 1
629 1 50 PRO HB2 1 57 THR MG 6.500 . 6.500 4.738 3.650 5.223 . 0 0 "[ . 1 . 2]" 1
630 1 52 ARG QB 1 57 THR MG 4.700 . 5.000 5.034 4.129 5.801 0.801 1 2 "[+ . 1 . -2]" 1
631 1 57 THR MG 1 58 ALA HA 4.500 . 4.800 3.635 3.402 3.816 . 0 0 "[ . 1 . 2]" 1
632 1 57 THR MG 1 61 ARG QD 3.200 . 3.500 2.694 2.308 3.097 . 0 0 "[ . 1 . 2]" 1
633 1 58 ALA H 1 58 ALA HA 2.800 . 3.100 2.854 2.804 2.893 . 0 0 "[ . 1 . 2]" 1
634 1 58 ALA H 1 58 ALA MB 2.100 . 2.400 2.126 2.049 2.236 . 0 0 "[ . 1 . 2]" 1
635 1 58 ALA H 1 59 ALA HA 5.300 . 5.600 5.203 5.068 5.339 . 0 0 "[ . 1 . 2]" 1
636 1 58 ALA H 1 59 ALA H 2.700 . 3.000 2.583 2.413 2.746 . 0 0 "[ . 1 . 2]" 1
637 1 58 ALA H 1 60 ASP H 4.200 . 4.500 3.934 3.790 4.190 . 0 0 "[ . 1 . 2]" 1
638 1 58 ALA H 1 61 ARG QB 4.500 . 4.800 4.863 4.543 5.193 0.393 9 0 "[ . 1 . 2]" 1
639 1 58 ALA H 1 61 ARG QD 5.100 . 5.400 5.099 4.780 5.798 0.398 7 0 "[ . 1 . 2]" 1
640 1 21 LEU MD1 1 58 ALA H 6.500 . 6.500 6.590 6.536 6.709 0.209 15 0 "[ . 1 . 2]" 1
641 1 54 ASP HA 1 58 ALA H 3.800 . 4.100 4.163 3.443 4.354 0.254 13 0 "[ . 1 . 2]" 1
642 1 55 LEU QD 1 58 ALA H 6.400 . 6.500 5.260 4.496 5.615 . 0 0 "[ . 1 . 2]" 1
643 1 57 THR MG 1 58 ALA H 4.100 . 4.400 3.567 3.236 3.650 . 0 0 "[ . 1 . 2]" 1
644 1 18 VAL HA 1 58 ALA MB 5.100 . 5.400 4.263 3.922 4.749 . 0 0 "[ . 1 . 2]" 1
645 1 54 ASP HB3 1 58 ALA MB 5.000 . 5.300 4.917 4.442 5.373 0.073 16 0 "[ . 1 . 2]" 1
646 1 55 LEU QD 1 58 ALA MB 6.500 . 6.500 4.983 4.528 5.246 . 0 0 "[ . 1 . 2]" 1
647 1 57 THR HB 1 58 ALA MB 3.900 . 4.200 3.858 3.698 3.968 . 0 0 "[ . 1 . 2]" 1
648 1 58 ALA HA 1 58 ALA MB 2.200 . 2.500 2.103 2.082 2.125 . 0 0 "[ . 1 . 2]" 1
649 1 58 ALA MB 1 79 ASP HB2 6.500 . 6.500 6.477 6.284 6.524 0.024 2 0 "[ . 1 . 2]" 1
650 1 58 ALA MB 1 79 ASP HB3 5.500 . 5.800 5.800 5.393 6.078 0.278 9 0 "[ . 1 . 2]" 1
651 1 58 ALA MB 1 80 ILE HA 6.100 . 6.400 6.325 5.907 6.526 0.126 9 0 "[ . 1 . 2]" 1
652 1 59 ALA H 1 59 ALA HA 2.800 . 3.100 2.812 2.772 2.850 . 0 0 "[ . 1 . 2]" 1
653 1 59 ALA H 1 59 ALA MB 2.400 . 2.700 2.218 2.121 2.245 . 0 0 "[ . 1 . 2]" 1
654 1 59 ALA H 1 60 ASP H 2.800 . 3.100 2.651 2.512 2.788 . 0 0 "[ . 1 . 2]" 1
655 1 59 ALA H 1 61 ARG H 4.100 . 4.400 4.269 4.002 4.515 0.115 11 0 "[ . 1 . 2]" 1
656 1 18 VAL HA 1 59 ALA H 5.900 . 6.200 5.881 5.582 6.352 0.152 13 0 "[ . 1 . 2]" 1
657 1 55 LEU QD 1 59 ALA H 5.500 . 5.800 5.079 4.161 5.368 . 0 0 "[ . 1 . 2]" 1
658 1 56 ALA HA 1 59 ALA H 4.000 . 4.300 3.787 3.584 3.929 . 0 0 "[ . 1 . 2]" 1
659 1 57 THR MG 1 59 ALA H 6.200 . 6.500 5.281 5.074 5.462 . 0 0 "[ . 1 . 2]" 1
660 1 60 ASP H 1 60 ASP HA 2.900 . 3.200 2.843 2.819 2.865 . 0 0 "[ . 1 . 2]" 1
661 1 60 ASP H 1 61 ARG QB 4.200 . 4.500 4.237 4.159 4.347 . 0 0 "[ . 1 . 2]" 1
662 1 60 ASP H 1 61 ARG H 2.500 . 2.800 2.604 2.539 2.666 . 0 0 "[ . 1 . 2]" 1
663 1 57 THR MG 1 60 ASP H 5.500 . 5.800 4.929 4.643 5.109 . 0 0 "[ . 1 . 2]" 1
664 1 59 ALA HA 1 60 ASP H 3.500 . 3.800 3.511 3.469 3.547 . 0 0 "[ . 1 . 2]" 1
665 1 60 ASP HA 1 64 LYS QB 5.900 . 6.200 5.079 4.884 5.204 . 0 0 "[ . 1 . 2]" 1
666 1 60 ASP HA 1 64 LYS QG 5.100 . 5.400 3.758 3.550 3.856 . 0 0 "[ . 1 . 2]" 1
667 1 60 ASP HA 1 63 ALA HA 5.000 . 5.300 5.159 4.910 5.410 0.110 7 0 "[ . 1 . 2]" 1
668 1 61 ARG H 1 61 ARG HA 2.800 . 3.100 2.772 2.764 2.809 . 0 0 "[ . 1 . 2]" 1
669 1 61 ARG H 1 61 ARG QB 2.100 . 2.400 2.065 2.045 2.121 . 0 0 "[ . 1 . 2]" 1
670 1 61 ARG H 1 61 ARG QD 2.700 . 3.000 2.580 2.244 2.710 . 0 0 "[ . 1 . 2]" 1
671 1 61 ARG H 1 62 ALA H 2.900 . 3.200 2.791 2.712 2.855 . 0 0 "[ . 1 . 2]" 1
672 1 60 ASP HA 1 61 ARG H 3.500 . 3.800 3.542 3.491 3.559 . 0 0 "[ . 1 . 2]" 1
673 1 58 ALA MB 1 61 ARG H 5.200 . 5.500 4.667 4.395 4.864 . 0 0 "[ . 1 . 2]" 1
674 1 57 THR MG 1 61 ARG H 4.800 . 5.100 4.312 4.034 4.642 . 0 0 "[ . 1 . 2]" 1
675 1 57 THR MG 1 61 ARG HA 5.600 . 5.900 5.402 5.014 5.860 . 0 0 "[ . 1 . 2]" 1
676 1 61 ARG HA 1 61 ARG QD 2.400 . 2.700 2.790 2.584 3.120 0.420 17 0 "[ . 1 . 2]" 1
677 1 61 ARG QD 1 75 THR HA 6.200 . 6.500 5.985 5.074 6.466 . 0 0 "[ . 1 . 2]" 1
678 1 60 ASP HA 1 61 ARG HE 6.200 . 6.500 5.536 4.967 5.622 . 0 0 "[ . 1 . 2]" 1
679 1 61 ARG QD 1 61 ARG HE 2.300 . 2.600 2.244 2.186 2.471 . 0 0 "[ . 1 . 2]" 1
680 1 61 ARG HE 1 64 LYS QB 5.500 . 5.800 4.321 3.756 4.797 . 0 0 "[ . 1 . 2]" 1
681 1 61 ARG HA 1 62 ALA H 3.600 . 3.900 3.536 3.513 3.560 . 0 0 "[ . 1 . 2]" 1
682 1 61 ARG QB 1 62 ALA H 2.700 . 3.000 2.691 2.544 2.813 . 0 0 "[ . 1 . 2]" 1
683 1 61 ARG QD 1 62 ALA H 4.800 . 5.100 4.682 4.472 4.806 . 0 0 "[ . 1 . 2]" 1
684 1 62 ALA H 1 64 LYS H 4.300 . 4.600 3.848 3.724 4.030 . 0 0 "[ . 1 . 2]" 1
685 1 62 ALA H 1 76 LEU QD 6.500 . 6.500 5.114 4.627 5.624 . 0 0 "[ . 1 . 2]" 1
686 1 14 MET QB 1 62 ALA H 5.100 . 5.400 3.912 3.453 4.501 . 0 0 "[ . 1 . 2]" 1
687 1 15 VAL MG1 1 62 ALA H 5.700 . 6.000 5.787 5.143 6.388 0.388 19 0 "[ . 1 . 2]" 1
688 1 58 ALA HA 1 62 ALA H 4.200 . 4.500 4.483 4.270 4.606 0.106 11 0 "[ . 1 . 2]" 1
689 1 59 ALA MB 1 62 ALA H 5.900 . 6.200 4.787 4.695 4.900 . 0 0 "[ . 1 . 2]" 1
690 1 59 ALA H 1 62 ALA H 5.200 . 5.500 5.065 4.937 5.209 . 0 0 "[ . 1 . 2]" 1
691 1 59 ALA HA 1 62 ALA H 4.000 . 4.300 3.715 3.622 3.810 . 0 0 "[ . 1 . 2]" 1
692 1 60 ASP H 1 62 ALA H 4.400 . 4.700 4.165 3.954 4.371 . 0 0 "[ . 1 . 2]" 1
693 1 15 VAL MG1 1 62 ALA HA 6.300 . 6.500 5.875 4.975 6.548 0.048 19 0 "[ . 1 . 2]" 1
694 1 62 ALA HA 1 66 ALA MB 3.600 . 3.900 3.185 2.591 3.413 . 0 0 "[ . 1 . 2]" 1
695 1 64 LYS H 1 64 LYS HA 2.800 . 3.100 2.802 2.793 2.814 . 0 0 "[ . 1 . 2]" 1
696 1 64 LYS H 1 64 LYS QB 2.200 . 2.500 2.255 2.202 2.328 . 0 0 "[ . 1 . 2]" 1
697 1 64 LYS H 1 64 LYS QE 4.900 . 5.200 4.410 3.978 4.646 . 0 0 "[ . 1 . 2]" 1
698 1 64 LYS H 1 64 LYS QG 2.800 . 3.100 2.655 2.410 2.799 . 0 0 "[ . 1 . 2]" 1
699 1 64 LYS H 1 65 GLY HA2 5.600 . 5.900 5.056 5.020 5.074 . 0 0 "[ . 1 . 2]" 1
700 1 64 LYS H 1 66 ALA H 4.000 . 4.300 3.787 3.679 3.831 . 0 0 "[ . 1 . 2]" 1
701 1 61 ARG H 1 64 LYS H 5.000 . 5.300 4.786 4.686 4.861 . 0 0 "[ . 1 . 2]" 1
702 1 64 LYS HA 1 64 LYS QE 3.400 . 3.700 2.458 2.023 2.821 . 0 0 "[ . 1 . 2]" 1
703 1 64 LYS HA 1 65 GLY HA2 4.800 . 5.100 4.963 4.909 5.010 . 0 0 "[ . 1 . 2]" 1
704 1 62 ALA MB 1 64 LYS QB 6.500 . 6.500 5.210 5.102 5.421 . 0 0 "[ . 1 . 2]" 1
705 1 64 LYS QB 1 66 ALA HA 5.400 . 5.700 4.580 4.389 4.711 . 0 0 "[ . 1 . 2]" 1
706 1 65 GLY H 1 65 GLY HA3 2.900 . 3.200 2.955 2.951 2.957 . 0 0 "[ . 1 . 2]" 1
707 1 65 GLY H 1 65 GLY HA2 2.700 . 3.000 2.472 2.430 2.501 . 0 0 "[ . 1 . 2]" 1
708 1 65 GLY H 1 66 ALA MB 4.700 . 5.000 4.117 4.045 4.171 . 0 0 "[ . 1 . 2]" 1
709 1 64 LYS QB 1 65 GLY H 2.300 . 2.600 3.054 3.000 3.102 0.502 16 1 "[ . 1 .+ 2]" 1
710 1 64 LYS QG 1 65 GLY H 4.500 . 4.800 4.453 4.396 4.559 . 0 0 "[ . 1 . 2]" 1
711 1 66 ALA H 1 66 ALA HA 2.300 . 2.600 2.282 2.277 2.287 . 0 0 "[ . 1 . 2]" 1
712 1 64 LYS HA 1 66 ALA H 5.100 . 5.400 4.954 4.887 5.030 . 0 0 "[ . 1 . 2]" 1
713 1 64 LYS QE 1 66 ALA H 6.500 . 6.500 6.047 5.524 6.466 . 0 0 "[ . 1 . 2]" 1
714 1 64 LYS QG 1 66 ALA H 6.100 . 6.400 5.193 5.064 5.283 . 0 0 "[ . 1 . 2]" 1
715 1 11 ARG QG 1 66 ALA HA 3.900 . 4.200 5.098 4.965 5.168 0.968 15 20 [**************+**-**] 1
716 1 66 ALA MB 1 68 GLY HA2 5.800 . 6.100 4.538 4.195 4.756 . 0 0 "[ . 1 . 2]" 1
717 1 64 LYS QB 1 67 TYR H 4.400 . 4.600 3.786 3.682 3.941 . 0 0 "[ . 1 . 2]" 1
718 1 64 LYS QG 1 67 TYR H 6.500 . 6.500 5.573 5.410 5.752 . 0 0 "[ . 1 . 2]" 1
719 1 65 GLY HA3 1 67 TYR H 4.400 . 4.700 4.767 4.688 4.849 0.149 20 0 "[ . 1 . 2]" 1
720 1 66 ALA HA 1 67 TYR H 3.000 . 3.300 2.479 2.465 2.515 . 0 0 "[ . 1 . 2]" 1
721 1 66 ALA MB 1 67 TYR H 4.100 . 4.400 3.708 3.704 3.714 . 0 0 "[ . 1 . 2]" 1
722 1 66 ALA H 1 67 TYR H 2.700 . 3.000 3.116 2.985 3.170 0.170 17 0 "[ . 1 . 2]" 1
723 1 69 TYR H 1 69 TYR HA 2.300 . 2.600 2.276 2.273 2.280 . 0 0 "[ . 1 . 2]" 1
724 1 69 TYR H 1 69 TYR HB2 3.700 . 4.000 3.093 2.996 3.240 . 0 0 "[ . 1 . 2]" 1
725 1 69 TYR H 1 69 TYR HB3 4.000 . 4.300 3.920 3.726 4.065 . 0 0 "[ . 1 . 2]" 1
726 1 69 TYR H 1 70 ASP HA 5.700 . 6.000 5.519 5.486 5.565 . 0 0 "[ . 1 . 2]" 1
727 1 69 TYR H 1 70 ASP H 3.600 . 3.900 3.379 3.309 3.458 . 0 0 "[ . 1 . 2]" 1
728 1 7 LEU HG 1 69 TYR H 3.000 . 3.300 3.880 3.863 3.911 0.611 15 20 [-*************+*****] 1
729 1 68 GLY HA2 1 69 TYR H 2.300 . 2.600 2.884 2.706 2.966 0.366 11 0 "[ . 1 . 2]" 1
730 1 68 GLY HA3 1 69 TYR H 2.800 . 3.100 2.290 2.235 2.428 . 0 0 "[ . 1 . 2]" 1
731 1 69 TYR HA 1 70 ASP HB2 4.400 . 4.700 4.519 4.465 4.552 . 0 0 "[ . 1 . 2]" 1
732 1 69 TYR HA 1 70 ASP HB3 5.200 . 5.500 5.398 5.348 5.458 . 0 0 "[ . 1 . 2]" 1
733 1 69 TYR HA 1 69 TYR QD 2.300 . 2.600 2.289 2.097 2.665 0.065 20 0 "[ . 1 . 2]" 1
734 1 69 TYR HA 1 69 TYR QE 4.700 . 5.000 4.243 4.183 4.325 . 0 0 "[ . 1 . 2]" 1
735 1 70 ASP H 1 70 ASP HA 2.800 . 3.100 2.923 2.911 2.931 . 0 0 "[ . 1 . 2]" 1
736 1 70 ASP H 1 70 ASP HB2 3.200 . 3.500 2.848 2.808 2.915 . 0 0 "[ . 1 . 2]" 1
737 1 70 ASP H 1 70 ASP HB3 3.400 . 3.700 3.246 3.180 3.318 . 0 0 "[ . 1 . 2]" 1
738 1 70 ASP H 1 71 VAL HA 4.500 . 4.800 4.683 4.601 4.740 . 0 0 "[ . 1 . 2]" 1
739 1 70 ASP H 1 71 VAL H 4.100 . 4.400 4.166 4.067 4.270 . 0 0 "[ . 1 . 2]" 1
740 1 70 ASP H 1 73 LEU QD 5.000 . 5.300 4.496 4.400 4.639 . 0 0 "[ . 1 . 2]" 1
741 1 70 ASP H 1 74 THR H 6.500 . 6.500 6.520 6.438 6.563 0.063 10 0 "[ . 1 . 2]" 1
742 1 6 GLN HB2 1 70 ASP H 6.500 . 6.500 5.469 5.103 5.669 . 0 0 "[ . 1 . 2]" 1
743 1 68 GLY HA2 1 70 ASP H 5.300 . 5.600 4.984 4.858 5.152 . 0 0 "[ . 1 . 2]" 1
744 1 68 GLY HA3 1 70 ASP H 6.200 . 6.500 5.374 5.231 5.501 . 0 0 "[ . 1 . 2]" 1
745 1 69 TYR HA 1 70 ASP H 2.200 . 2.500 2.265 2.227 2.294 . 0 0 "[ . 1 . 2]" 1
746 1 7 LEU HB2 1 70 ASP HB2 4.800 . 5.100 3.635 3.582 3.715 . 0 0 "[ . 1 . 2]" 1
747 1 7 LEU MD1 1 70 ASP HB2 2.700 . 3.000 3.467 3.455 3.498 0.498 9 0 "[ . 1 . 2]" 1
748 1 7 LEU HG 1 70 ASP HB3 3.300 . 4.600 2.786 2.675 2.820 . 0 0 "[ . 1 . 2]" 1
749 1 7 LEU MD1 1 70 ASP HB3 2.000 . 4.300 3.402 3.369 3.435 . 0 0 "[ . 1 . 2]" 1
750 1 68 GLY HA2 1 70 ASP HB3 6.000 . 6.300 5.840 5.748 5.937 . 0 0 "[ . 1 . 2]" 1
751 1 70 ASP HB3 1 73 LEU HB2 5.100 . 5.400 5.067 5.031 5.123 . 0 0 "[ . 1 . 2]" 1
752 1 70 ASP HB3 1 73 LEU HB3 4.700 . 5.000 4.959 4.899 5.043 0.043 9 0 "[ . 1 . 2]" 1
753 1 70 ASP HA 1 70 ASP HB2 2.700 . 3.000 2.748 2.724 2.768 . 0 0 "[ . 1 . 2]" 1
754 1 70 ASP HA 1 70 ASP HB3 3.000 . 3.300 2.934 2.921 2.948 . 0 0 "[ . 1 . 2]" 1
755 1 70 ASP HA 1 71 VAL QG 4.000 . 4.300 3.806 3.654 3.889 . 0 0 "[ . 1 . 2]" 1
756 1 70 ASP HA 1 73 LEU QD 5.000 . 5.300 4.620 4.567 4.688 . 0 0 "[ . 1 . 2]" 1
757 1 71 VAL H 1 71 VAL HA 2.900 . 3.200 2.820 2.783 2.907 . 0 0 "[ . 1 . 2]" 1
758 1 71 VAL H 1 71 VAL HB 3.700 . 4.000 2.484 2.390 2.672 . 0 0 "[ . 1 . 2]" 1
759 1 71 VAL H 1 71 VAL QG 2.000 . 2.300 2.195 2.040 2.303 0.003 19 0 "[ . 1 . 2]" 1
760 1 71 VAL H 1 72 GLN H 2.200 . 2.500 2.606 2.339 2.743 0.243 20 0 "[ . 1 . 2]" 1
761 1 71 VAL H 1 72 GLN HA 4.900 . 5.200 5.165 4.994 5.228 0.028 17 0 "[ . 1 . 2]" 1
762 1 71 VAL H 1 72 GLN QB 4.300 . 4.600 4.793 4.415 5.052 0.452 20 0 "[ . 1 . 2]" 1
763 1 71 VAL H 1 73 LEU QD 5.100 . 5.400 5.056 4.898 5.156 . 0 0 "[ . 1 . 2]" 1
764 1 71 VAL H 1 74 THR H 4.600 . 4.900 4.196 3.978 4.290 . 0 0 "[ . 1 . 2]" 1
765 1 70 ASP HA 1 71 VAL H 2.200 . 2.500 2.147 2.138 2.183 . 0 0 "[ . 1 . 2]" 1
766 1 70 ASP HB2 1 71 VAL H 4.400 . 4.700 4.489 4.381 4.541 . 0 0 "[ . 1 . 2]" 1
767 1 70 ASP HB3 1 71 VAL H 3.800 . 4.100 3.837 3.592 3.927 . 0 0 "[ . 1 . 2]" 1
768 1 72 GLN H 1 72 GLN HA 2.900 . 3.200 2.825 2.795 2.889 . 0 0 "[ . 1 . 2]" 1
769 1 72 GLN H 1 72 GLN QB 2.600 . 2.900 2.921 2.760 2.977 0.077 15 0 "[ . 1 . 2]" 1
770 1 72 GLN H 1 73 LEU HB2 5.200 . 5.500 5.122 5.033 5.197 . 0 0 "[ . 1 . 2]" 1
771 1 72 GLN H 1 73 LEU HB3 6.000 . 6.300 5.870 5.772 5.991 . 0 0 "[ . 1 . 2]" 1
772 1 72 GLN H 1 74 THR H 3.200 . 3.500 2.811 2.703 2.952 . 0 0 "[ . 1 . 2]" 1
773 1 70 ASP HA 1 72 GLN H 3.700 . 4.000 3.696 3.610 3.974 . 0 0 "[ . 1 . 2]" 1
774 1 70 ASP HB2 1 72 GLN H 5.100 . 5.400 4.662 4.447 5.085 . 0 0 "[ . 1 . 2]" 1
775 1 70 ASP HB3 1 72 GLN H 4.000 . 4.300 3.217 2.948 3.691 . 0 0 "[ . 1 . 2]" 1
776 1 71 VAL HA 1 72 GLN H 3.500 . 3.800 3.461 3.346 3.541 . 0 0 "[ . 1 . 2]" 1
777 1 71 VAL HB 1 72 GLN H 4.000 . 4.300 3.844 2.645 4.222 . 0 0 "[ . 1 . 2]" 1
778 1 71 VAL QG 1 72 GLN H 2.200 . 2.500 2.350 2.066 3.047 0.547 4 3 "[ +. 1 . *-]" 1
779 1 73 LEU H 1 73 LEU HA 2.300 . 2.600 2.278 2.275 2.279 . 0 0 "[ . 1 . 2]" 1
780 1 73 LEU H 1 73 LEU HB3 4.000 . 4.300 4.002 3.992 4.016 . 0 0 "[ . 1 . 2]" 1
781 1 73 LEU H 1 73 LEU QD 2.600 . 2.900 2.152 2.130 2.176 . 0 0 "[ . 1 . 2]" 1
782 1 70 ASP HA 1 73 LEU H 4.000 . 4.300 4.139 4.067 4.230 . 0 0 "[ . 1 . 2]" 1
783 1 70 ASP HB2 1 73 LEU H 4.100 . 4.400 3.641 3.566 3.802 . 0 0 "[ . 1 . 2]" 1
784 1 70 ASP HB3 1 73 LEU H 2.700 . 3.000 2.010 1.937 2.160 . 0 0 "[ . 1 . 2]" 1
785 1 70 ASP H 1 73 LEU H 5.400 . 5.700 5.032 4.930 5.226 . 0 0 "[ . 1 . 2]" 1
786 1 72 GLN HA 1 73 LEU H 3.100 . 3.400 2.760 2.723 2.837 . 0 0 "[ . 1 . 2]" 1
787 1 72 GLN QB 1 73 LEU H 4.100 . 4.400 3.890 3.847 3.933 . 0 0 "[ . 1 . 2]" 1
788 1 72 GLN QE 1 73 LEU H 6.500 . 6.500 4.745 3.721 5.219 . 0 0 "[ . 1 . 2]" 1
789 1 70 ASP HB3 1 73 LEU HA 2.500 . 2.800 2.781 2.700 2.855 0.055 15 0 "[ . 1 . 2]" 1
790 1 73 LEU HA 1 73 LEU QD 2.000 . 2.300 1.980 1.929 2.028 . 0 0 "[ . 1 . 2]" 1
791 1 74 THR H 1 74 THR HA 2.800 . 3.100 2.840 2.794 2.873 . 0 0 "[ . 1 . 2]" 1
792 1 74 THR H 1 74 THR HB 3.000 . 3.300 2.556 2.408 2.698 . 0 0 "[ . 1 . 2]" 1
793 1 70 ASP HA 1 74 THR H 4.800 . 5.100 4.328 4.278 4.403 . 0 0 "[ . 1 . 2]" 1
794 1 70 ASP HB2 1 74 THR H 4.900 . 5.200 4.711 4.561 4.813 . 0 0 "[ . 1 . 2]" 1
795 1 70 ASP HB3 1 74 THR H 4.400 . 4.700 3.839 3.762 3.894 . 0 0 "[ . 1 . 2]" 1
796 1 72 GLN QB 1 74 THR H 4.100 . 4.400 3.957 3.783 4.129 . 0 0 "[ . 1 . 2]" 1
797 1 73 LEU H 1 74 THR H 2.800 . 3.100 2.817 2.769 2.863 . 0 0 "[ . 1 . 2]" 1
798 1 73 LEU HA 1 74 THR H 2.900 . 3.200 2.784 2.729 2.854 . 0 0 "[ . 1 . 2]" 1
799 1 73 LEU HB2 1 74 THR H 4.100 . 4.400 4.213 4.143 4.266 . 0 0 "[ . 1 . 2]" 1
800 1 73 LEU HB3 1 74 THR H 4.400 . 4.700 4.439 4.422 4.454 . 0 0 "[ . 1 . 2]" 1
801 1 73 LEU QD 1 74 THR H 4.800 . 5.100 3.876 3.864 3.889 . 0 0 "[ . 1 . 2]" 1
802 1 70 ASP HB2 1 74 THR HB 6.500 . 6.800 6.434 6.172 6.558 . 0 0 "[ . 1 . 2]" 1
803 1 74 THR HB 1 77 LYS HB2 5.600 . 5.900 5.440 4.855 5.606 . 0 0 "[ . 1 . 2]" 1
804 1 70 ASP HB2 1 75 THR H 4.300 . 4.600 4.827 4.806 4.849 0.249 18 0 "[ . 1 . 2]" 1
805 1 74 THR H 1 75 THR H 2.600 . 2.900 2.533 2.427 2.675 . 0 0 "[ . 1 . 2]" 1
806 1 74 THR HB 1 75 THR H 3.100 . 3.400 3.248 2.912 4.028 0.628 9 4 "[ * . * +1 . -2]" 1
807 1 75 THR H 1 76 LEU QD 4.500 . 4.800 5.045 4.105 5.663 0.863 18 9 "[ ** *- * .* +**]" 1
808 1 76 LEU H 1 76 LEU HA 2.900 . 3.200 2.867 2.856 2.876 . 0 0 "[ . 1 . 2]" 1
809 1 76 LEU H 1 76 LEU QD 2.600 . 2.900 3.169 2.352 3.622 0.722 18 9 "[ ** *- * .* +**]" 1
810 1 76 LEU H 1 77 LYS H 2.600 . 2.900 2.473 2.412 2.555 . 0 0 "[ . 1 . 2]" 1
811 1 76 LEU H 1 77 LYS QZ 3.400 . 3.700 3.552 3.230 3.699 . 0 0 "[ . 1 . 2]" 1
812 1 73 LEU HB3 1 76 LEU H 3.700 . 4.000 3.721 3.269 4.014 0.014 15 0 "[ . 1 . 2]" 1
813 1 73 LEU QD 1 76 LEU H 4.800 . 5.100 4.344 4.169 4.474 . 0 0 "[ . 1 . 2]" 1
814 1 74 THR HA 1 76 LEU H 4.100 . 4.400 4.472 4.294 4.551 0.151 7 0 "[ . 1 . 2]" 1
815 1 75 THR H 1 76 LEU H 2.700 . 3.000 2.757 2.708 2.854 . 0 0 "[ . 1 . 2]" 1
816 1 75 THR HA 1 76 LEU H 3.500 . 3.800 3.560 3.544 3.563 . 0 0 "[ . 1 . 2]" 1
817 1 75 THR HG1 1 76 LEU H 2.700 . 3.000 2.305 2.022 2.767 . 0 0 "[ . 1 . 2]" 1
818 1 77 LYS H 1 77 LYS HB2 2.100 . 2.400 2.093 2.060 2.173 . 0 0 "[ . 1 . 2]" 1
819 1 77 LYS H 1 77 LYS HB3 3.200 . 3.500 3.161 3.006 3.316 . 0 0 "[ . 1 . 2]" 1
820 1 77 LYS H 1 78 GLU HB2 5.000 . 5.300 5.012 4.806 5.188 . 0 0 "[ . 1 . 2]" 1
821 1 77 LYS H 1 79 ASP H 4.100 . 4.400 3.932 3.781 4.112 . 0 0 "[ . 1 . 2]" 1
822 1 73 LEU HA 1 77 LYS H 5.200 . 5.500 4.819 4.778 4.852 . 0 0 "[ . 1 . 2]" 1
823 1 73 LEU QD 1 77 LYS H 6.300 . 6.500 5.116 4.978 5.239 . 0 0 "[ . 1 . 2]" 1
824 1 76 LEU HA 1 77 LYS H 3.600 . 3.900 3.518 3.478 3.553 . 0 0 "[ . 1 . 2]" 1
825 1 76 LEU QD 1 77 LYS H 4.600 . 4.900 4.054 3.891 4.223 . 0 0 "[ . 1 . 2]" 1
826 1 78 GLU H 1 78 GLU HA 2.800 . 3.100 2.870 2.845 2.888 . 0 0 "[ . 1 . 2]" 1
827 1 78 GLU H 1 78 GLU HB2 2.300 . 2.600 2.605 2.481 2.737 0.137 19 0 "[ . 1 . 2]" 1
828 1 78 GLU H 1 78 GLU HB3 2.800 . 3.100 2.508 2.390 2.639 . 0 0 "[ . 1 . 2]" 1
829 1 78 GLU H 1 79 ASP HA 5.300 . 5.600 5.071 5.023 5.135 . 0 0 "[ . 1 . 2]" 1
830 1 78 GLU H 1 79 ASP HB3 6.000 . 6.300 5.775 5.588 5.923 . 0 0 "[ . 1 . 2]" 1
831 1 78 GLU H 1 79 ASP H 2.700 . 3.000 2.430 2.363 2.516 . 0 0 "[ . 1 . 2]" 1
832 1 78 GLU H 1 79 ASP HB2 4.500 . 4.800 4.299 4.204 4.414 . 0 0 "[ . 1 . 2]" 1
833 1 78 GLU H 1 80 ILE H 4.300 . 4.600 4.229 3.888 4.379 . 0 0 "[ . 1 . 2]" 1
834 1 78 GLU H 1 82 LEU H 6.000 . 6.300 5.930 5.796 6.054 . 0 0 "[ . 1 . 2]" 1
835 1 76 LEU HA 1 78 GLU H 4.700 . 5.000 4.262 4.026 4.405 . 0 0 "[ . 1 . 2]" 1
836 1 76 LEU QD 1 78 GLU H 6.500 . 6.500 5.375 4.869 5.630 . 0 0 "[ . 1 . 2]" 1
837 1 76 LEU H 1 78 GLU H 4.100 . 4.400 3.998 3.846 4.083 . 0 0 "[ . 1 . 2]" 1
838 1 77 LYS HB3 1 78 GLU H 2.500 . 2.800 2.955 2.757 3.195 0.395 12 0 "[ . 1 . 2]" 1
839 1 78 GLU HA 1 81 ARG QB 4.700 . 5.000 3.689 3.568 3.877 . 0 0 "[ . 1 . 2]" 1
840 1 78 GLU HA 1 81 ARG QG 2.000 . 2.300 2.000 1.929 2.198 . 0 0 "[ . 1 . 2]" 1
841 1 79 ASP H 1 79 ASP HA 2.800 . 3.100 2.865 2.837 2.878 . 0 0 "[ . 1 . 2]" 1
842 1 79 ASP H 1 79 ASP HB2 2.100 . 2.400 2.146 2.078 2.244 . 0 0 "[ . 1 . 2]" 1
843 1 79 ASP H 1 79 ASP HB3 3.500 . 3.800 3.417 3.251 3.534 . 0 0 "[ . 1 . 2]" 1
844 1 79 ASP H 1 80 ILE H 2.700 . 3.000 2.554 2.462 2.663 . 0 0 "[ . 1 . 2]" 1
845 1 79 ASP H 1 82 LEU QD 6.500 . 6.500 5.932 5.873 5.986 . 0 0 "[ . 1 . 2]" 1
846 1 57 THR MG 1 79 ASP H 6.200 . 6.500 5.312 4.730 5.899 . 0 0 "[ . 1 . 2]" 1
847 1 76 LEU HA 1 79 ASP H 3.500 . 3.800 3.318 3.119 3.412 . 0 0 "[ . 1 . 2]" 1
848 1 76 LEU QD 1 79 ASP H 5.600 . 5.900 4.900 4.265 5.256 . 0 0 "[ . 1 . 2]" 1
849 1 77 LYS QZ 1 79 ASP H 6.000 . 6.300 5.392 4.897 5.889 . 0 0 "[ . 1 . 2]" 1
850 1 78 GLU HA 1 79 ASP H 3.500 . 3.800 3.473 3.439 3.507 . 0 0 "[ . 1 . 2]" 1
851 1 78 GLU HB2 1 79 ASP H 3.700 . 4.000 4.028 3.932 4.161 0.161 14 0 "[ . 1 . 2]" 1
852 1 78 GLU HB3 1 79 ASP H 2.700 . 3.000 2.920 2.780 3.068 0.068 14 0 "[ . 1 . 2]" 1
853 1 79 ASP HA 1 79 ASP HB3 2.700 . 3.000 2.729 2.620 2.853 . 0 0 "[ . 1 . 2]" 1
854 1 79 ASP HA 1 80 ILE MD 5.800 . 6.100 6.126 5.960 6.208 0.108 13 0 "[ . 1 . 2]" 1
855 1 58 ALA HA 1 79 ASP HB3 5.200 . 5.500 5.555 5.220 5.746 0.246 15 0 "[ . 1 . 2]" 1
856 1 57 THR MG 1 79 ASP HB3 4.600 . 4.900 2.544 1.953 3.014 . 0 0 "[ . 1 . 2]" 1
857 1 80 ILE H 1 80 ILE HA 2.800 . 3.100 2.807 2.780 2.881 . 0 0 "[ . 1 . 2]" 1
858 1 80 ILE H 1 80 ILE MD 3.400 . 3.700 4.070 3.785 4.161 0.461 10 0 "[ . 1 . 2]" 1
859 1 80 ILE H 1 81 ARG H 2.900 . 3.200 2.687 2.416 2.831 . 0 0 "[ . 1 . 2]" 1
860 1 80 ILE H 1 83 MET HB2 6.000 . 6.300 5.534 5.098 6.159 . 0 0 "[ . 1 . 2]" 1
861 1 76 LEU QD 1 80 ILE H 6.500 . 6.500 4.593 4.018 5.038 . 0 0 "[ . 1 . 2]" 1
862 1 78 GLU HB3 1 80 ILE H 5.100 . 5.400 5.345 5.044 5.473 0.073 14 0 "[ . 1 . 2]" 1
863 1 79 ASP HA 1 80 ILE H 3.500 . 3.800 3.549 3.487 3.558 . 0 0 "[ . 1 . 2]" 1
864 1 79 ASP HB2 1 80 ILE H 2.900 . 3.200 2.835 2.621 3.137 . 0 0 "[ . 1 . 2]" 1
865 1 79 ASP HB3 1 80 ILE H 3.200 . 3.500 3.055 2.739 3.417 . 0 0 "[ . 1 . 2]" 1
866 1 80 ILE MD 1 81 ARG HA 6.300 . 6.500 4.598 4.383 5.255 . 0 0 "[ . 1 . 2]" 1
867 1 80 ILE MD 1 83 MET HB3 6.200 . 6.500 4.379 3.909 4.823 . 0 0 "[ . 1 . 2]" 1
868 1 80 ILE MD 1 83 MET QG 6.200 . 6.500 4.330 3.590 4.826 . 0 0 "[ . 1 . 2]" 1
869 1 80 ILE MD 1 84 VAL QG 5.400 . 5.700 3.792 3.546 4.400 . 0 0 "[ . 1 . 2]" 1
870 1 80 ILE MD 1 103 THR MG 6.500 . 6.500 3.008 1.958 3.211 . 0 0 "[ . 1 . 2]" 1
871 1 80 ILE HA 1 82 LEU QB 5.000 . 5.300 5.015 4.784 5.190 . 0 0 "[ . 1 . 2]" 1
872 1 80 ILE HA 1 83 MET HB2 3.600 . 3.900 3.164 2.856 3.651 . 0 0 "[ . 1 . 2]" 1
873 1 81 ARG H 1 81 ARG HA 2.800 . 3.100 2.850 2.820 2.872 . 0 0 "[ . 1 . 2]" 1
874 1 81 ARG H 1 81 ARG QB 2.600 . 2.900 2.426 2.334 2.546 . 0 0 "[ . 1 . 2]" 1
875 1 77 LYS HA 1 81 ARG H 4.600 . 4.900 4.161 3.950 4.389 . 0 0 "[ . 1 . 2]" 1
876 1 78 GLU HA 1 81 ARG H 3.600 . 3.900 3.693 3.414 3.757 . 0 0 "[ . 1 . 2]" 1
877 1 79 ASP HA 1 81 ARG H 5.000 . 5.300 4.434 4.344 4.628 . 0 0 "[ . 1 . 2]" 1
878 1 79 ASP HB2 1 81 ARG H 5.600 . 5.900 5.165 4.976 5.470 . 0 0 "[ . 1 . 2]" 1
879 1 79 ASP HB3 1 81 ARG H 5.700 . 6.000 5.254 5.069 5.434 . 0 0 "[ . 1 . 2]" 1
880 1 79 ASP H 1 81 ARG H 4.600 . 4.900 3.971 3.847 4.220 . 0 0 "[ . 1 . 2]" 1
881 1 80 ILE MD 1 81 ARG H 5.100 . 5.400 4.426 4.363 4.587 . 0 0 "[ . 1 . 2]" 1
882 1 81 ARG HA 1 81 ARG QB 2.400 . 2.700 2.176 2.170 2.180 . 0 0 "[ . 1 . 2]" 1
883 1 81 ARG HA 1 84 VAL QG 3.200 . 3.500 1.913 1.879 2.022 . 0 0 "[ . 1 . 2]" 1
884 1 81 ARG HA 1 81 ARG HE 4.700 . 5.000 4.678 4.314 5.204 0.204 19 0 "[ . 1 . 2]" 1
885 1 81 ARG HE 1 81 ARG QG 3.600 . 3.900 2.451 2.224 2.905 . 0 0 "[ . 1 . 2]" 1
886 1 82 LEU H 1 82 LEU HA 2.800 . 3.100 2.836 2.804 2.853 . 0 0 "[ . 1 . 2]" 1
887 1 82 LEU H 1 82 LEU QB 2.100 . 2.400 2.232 2.222 2.239 . 0 0 "[ . 1 . 2]" 1
888 1 82 LEU H 1 82 LEU QD 2.800 . 3.700 3.609 3.577 3.629 . 0 0 "[ . 1 . 2]" 1
889 1 82 LEU H 1 83 MET QG 6.100 . 6.400 4.554 3.972 5.703 . 0 0 "[ . 1 . 2]" 1
890 1 82 LEU H 1 83 MET H 2.800 . 3.100 2.604 2.550 2.710 . 0 0 "[ . 1 . 2]" 1
891 1 79 ASP HA 1 82 LEU H 3.600 . 3.900 3.424 3.302 3.591 . 0 0 "[ . 1 . 2]" 1
892 1 79 ASP HB3 1 82 LEU H 5.400 . 5.700 5.215 5.106 5.529 . 0 0 "[ . 1 . 2]" 1
893 1 81 ARG HA 1 82 LEU H 3.500 . 3.800 3.496 3.488 3.503 . 0 0 "[ . 1 . 2]" 1
894 1 81 ARG H 1 82 LEU H 2.700 . 3.000 2.508 2.430 2.608 . 0 0 "[ . 1 . 2]" 1
895 1 81 ARG HG3 1 82 LEU HA 3.400 . 3.700 3.303 3.085 3.597 . 0 0 "[ . 1 . 2]" 1
896 1 82 LEU HA 1 82 LEU QD 2.300 . 2.600 1.984 1.943 2.007 . 0 0 "[ . 1 . 2]" 1
897 1 82 LEU HA 1 83 MET HB2 5.800 . 6.100 5.773 5.612 5.907 . 0 0 "[ . 1 . 2]" 1
898 1 81 ARG QB 1 82 LEU QD 4.300 . 4.600 5.054 4.886 5.203 0.603 12 8 "[*- .* 1 + *. * **]" 1
899 1 81 ARG QG 1 82 LEU QD 3.600 . 3.900 3.801 3.558 4.147 0.247 1 0 "[ . 1 . 2]" 1
900 1 82 LEU QB 1 82 LEU QD 2.700 . 3.000 1.959 1.941 1.970 . 0 0 "[ . 1 . 2]" 1
901 1 82 LEU QD 1 85 ASN QB 3.500 . 3.800 2.854 2.648 3.024 . 0 0 "[ . 1 . 2]" 1
902 1 83 MET H 1 83 MET HA 2.800 . 3.100 2.821 2.799 2.848 . 0 0 "[ . 1 . 2]" 1
903 1 83 MET H 1 83 MET HB2 2.600 . 2.900 2.413 2.146 2.641 . 0 0 "[ . 1 . 2]" 1
904 1 83 MET H 1 83 MET QG 3.500 . 3.800 2.520 1.983 3.618 . 0 0 "[ . 1 . 2]" 1
905 1 83 MET H 1 84 VAL H 2.900 . 3.200 2.762 2.681 2.819 . 0 0 "[ . 1 . 2]" 1
906 1 83 MET H 1 85 ASN H 4.000 . 4.300 3.943 3.842 4.099 . 0 0 "[ . 1 . 2]" 1
907 1 83 MET H 1 86 ASN H 4.900 . 5.200 4.946 4.801 5.008 . 0 0 "[ . 1 . 2]" 1
908 1 83 MET H 1 87 CYS H 6.400 . 6.500 6.054 5.945 6.155 . 0 0 "[ . 1 . 2]" 1
909 1 81 ARG HA 1 83 MET H 4.700 . 5.000 4.416 4.105 4.512 . 0 0 "[ . 1 . 2]" 1
910 1 81 ARG H 1 83 MET H 4.600 . 4.900 4.197 4.059 4.325 . 0 0 "[ . 1 . 2]" 1
911 1 82 LEU QB 1 83 MET H 2.700 . 3.000 2.528 2.425 2.739 . 0 0 "[ . 1 . 2]" 1
912 1 82 LEU QD 1 83 MET H 4.500 . 4.800 3.140 3.018 3.273 . 0 0 "[ . 1 . 2]" 1
913 1 83 MET HA 1 83 MET QG 2.800 . 3.100 2.439 2.309 2.567 . 0 0 "[ . 1 . 2]" 1
914 1 82 LEU QB 1 83 MET HA 3.800 . 4.100 4.038 3.974 4.128 0.028 1 0 "[ . 1 . 2]" 1
915 1 82 LEU QD 1 83 MET HA 4.900 . 5.200 2.865 2.728 2.976 . 0 0 "[ . 1 . 2]" 1
916 1 52 ARG QB 1 83 MET HA 5.300 . 5.600 3.326 2.591 4.410 . 0 0 "[ . 1 . 2]" 1
917 1 52 ARG HA 1 83 MET HB3 4.900 . 5.200 4.220 3.433 4.831 . 0 0 "[ . 1 . 2]" 1
918 1 84 VAL H 1 84 VAL HA 2.800 . 3.100 2.784 2.764 2.812 . 0 0 "[ . 1 . 2]" 1
919 1 84 VAL H 1 84 VAL HB 2.600 . 2.900 2.551 2.471 2.603 . 0 0 "[ . 1 . 2]" 1
920 1 84 VAL H 1 84 VAL QG 2.100 . 2.400 2.016 1.914 2.158 . 0 0 "[ . 1 . 2]" 1
921 1 84 VAL H 1 85 ASN HA 5.200 . 5.500 5.302 5.211 5.367 . 0 0 "[ . 1 . 2]" 1
922 1 84 VAL H 1 85 ASN H 2.600 . 2.900 2.719 2.624 2.781 . 0 0 "[ . 1 . 2]" 1
923 1 84 VAL H 1 86 ASN QB 5.900 . 6.200 5.545 5.210 5.668 . 0 0 "[ . 1 . 2]" 1
924 1 84 VAL H 1 86 ASN H 4.100 . 4.400 4.527 4.373 4.676 0.276 16 0 "[ . 1 . 2]" 1
925 1 84 VAL H 1 87 CYS H 5.000 . 5.300 4.668 4.573 4.846 . 0 0 "[ . 1 . 2]" 1
926 1 80 ILE MD 1 84 VAL H 6.200 . 6.500 3.855 3.583 4.433 . 0 0 "[ . 1 . 2]" 1
927 1 81 ARG QB 1 84 VAL H 5.900 . 6.200 5.238 5.111 5.331 . 0 0 "[ . 1 . 2]" 1
928 1 83 MET HA 1 84 VAL H 3.600 . 3.900 3.566 3.566 3.567 . 0 0 "[ . 1 . 2]" 1
929 1 83 MET HB2 1 84 VAL H 2.500 . 2.800 2.406 2.275 2.656 . 0 0 "[ . 1 . 2]" 1
930 1 81 ARG QB 1 84 VAL QG 5.500 . 5.800 3.215 3.107 3.322 . 0 0 "[ . 1 . 2]" 1
931 1 83 MET HB3 1 84 VAL QG 4.700 . 5.000 4.677 4.385 4.879 . 0 0 "[ . 1 . 2]" 1
932 1 83 MET QG 1 84 VAL QG 6.200 . 6.500 4.999 4.626 5.328 . 0 0 "[ . 1 . 2]" 1
933 1 84 VAL HA 1 84 VAL QG 2.500 . 2.800 2.242 2.185 2.304 . 0 0 "[ . 1 . 2]" 1
934 1 84 VAL QG 1 85 ASN HA 3.900 . 4.200 3.018 2.959 3.082 . 0 0 "[ . 1 . 2]" 1
935 1 84 VAL QG 1 103 THR MG 2.600 . 2.900 3.954 3.475 4.526 1.626 18 20 [***-*************+**] 1
936 1 84 VAL QG 1 104 PHE HB3 5.800 . 6.100 4.766 3.958 5.734 . 0 0 "[ . 1 . 2]" 1
937 1 80 ILE HA 1 84 VAL QG 4.300 . 4.600 4.499 4.326 4.754 0.154 1 0 "[ . 1 . 2]" 1
938 1 82 LEU QB 1 84 VAL QG 6.600 . 6.900 4.828 4.757 4.908 . 0 0 "[ . 1 . 2]" 1
939 1 84 VAL QG 1 85 ASN HB3 5.700 . 6.000 4.421 4.318 4.495 . 0 0 "[ . 1 . 2]" 1
940 1 85 ASN H 1 85 ASN HA 2.800 . 3.100 2.810 2.789 2.839 . 0 0 "[ . 1 . 2]" 1
941 1 85 ASN H 1 85 ASN QB 2.200 . 2.500 2.189 2.142 2.244 . 0 0 "[ . 1 . 2]" 1
942 1 85 ASN H 1 85 ASN HD22 4.600 . 4.900 4.495 4.365 4.608 . 0 0 "[ . 1 . 2]" 1
943 1 85 ASN H 1 86 ASN H 2.500 . 2.800 2.758 2.632 2.840 0.040 20 0 "[ . 1 . 2]" 1
944 1 85 ASN H 1 87 CYS H 4.300 . 4.600 3.735 3.667 3.887 . 0 0 "[ . 1 . 2]" 1
945 1 85 ASN H 1 89 LEU H 6.000 . 6.300 6.043 5.903 6.158 . 0 0 "[ . 1 . 2]" 1
946 1 81 ARG QG 1 85 ASN H 6.400 . 6.500 5.234 4.790 5.551 . 0 0 "[ . 1 . 2]" 1
947 1 81 ARG QB 1 85 ASN H 6.100 . 6.400 4.970 4.779 5.108 . 0 0 "[ . 1 . 2]" 1
948 1 82 LEU HA 1 85 ASN H 3.300 . 3.600 3.635 3.516 3.740 0.140 16 0 "[ . 1 . 2]" 1
949 1 83 MET HB2 1 85 ASN H 4.800 . 5.100 4.779 4.607 4.930 . 0 0 "[ . 1 . 2]" 1
950 1 83 MET HB3 1 85 ASN H 5.400 . 5.700 5.263 5.040 5.458 . 0 0 "[ . 1 . 2]" 1
951 1 84 VAL HB 1 85 ASN H 2.900 . 3.200 4.002 3.951 4.088 0.888 17 20 [****************+-**] 1
952 1 84 VAL QG 1 85 ASN H 4.100 . 4.400 2.150 2.010 2.296 . 0 0 "[ . 1 . 2]" 1
953 1 84 VAL HA 1 85 ASN H 3.500 . 3.800 3.507 3.479 3.536 . 0 0 "[ . 1 . 2]" 1
954 1 82 LEU HA 1 85 ASN HA 5.200 . 5.500 5.423 5.194 5.598 0.098 4 0 "[ . 1 . 2]" 1
955 1 85 ASN HA 1 89 LEU HA 5.900 . 6.200 6.289 6.067 6.344 0.144 16 0 "[ . 1 . 2]" 1
956 1 85 ASN HA 1 85 ASN HB3 3.000 . 3.300 2.660 2.608 2.702 . 0 0 "[ . 1 . 2]" 1
957 1 85 ASN HB3 1 88 ILE MD 5.500 . 5.800 5.206 4.076 5.533 . 0 0 "[ . 1 . 2]" 1
958 1 81 ARG HA 1 85 ASN HD21 4.600 . 4.900 4.789 4.633 4.925 0.025 19 0 "[ . 1 . 2]" 1
959 1 81 ARG QB 1 85 ASN HD21 4.900 . 5.200 3.938 3.795 4.046 . 0 0 "[ . 1 . 2]" 1
960 1 81 ARG QG 1 85 ASN HD21 4.900 . 5.200 3.509 2.628 4.100 . 0 0 "[ . 1 . 2]" 1
961 1 82 LEU HA 1 85 ASN HD21 2.500 . 2.800 2.325 2.054 2.623 . 0 0 "[ . 1 . 2]" 1
962 1 82 LEU QD 1 85 ASN HD21 3.100 . 3.400 3.050 2.851 3.229 . 0 0 "[ . 1 . 2]" 1
963 1 85 ASN HA 1 85 ASN HD21 4.200 . 4.500 4.296 4.225 4.374 . 0 0 "[ . 1 . 2]" 1
964 1 85 ASN QB 1 85 ASN HD21 2.200 . 2.500 2.139 2.114 2.182 . 0 0 "[ . 1 . 2]" 1
965 1 81 ARG HA 1 85 ASN HD22 4.900 . 5.200 4.777 4.522 4.911 . 0 0 "[ . 1 . 2]" 1
966 1 82 LEU HA 1 85 ASN HD22 4.200 . 4.500 3.921 3.553 4.198 . 0 0 "[ . 1 . 2]" 1
967 1 85 ASN HA 1 85 ASN HD22 4.400 . 4.700 4.451 4.393 4.526 . 0 0 "[ . 1 . 2]" 1
968 1 86 ASN H 1 86 ASN HA 2.900 . 3.200 2.859 2.779 2.886 . 0 0 "[ . 1 . 2]" 1
969 1 86 ASN H 1 86 ASN QB 2.300 . 2.600 2.184 2.045 2.263 . 0 0 "[ . 1 . 2]" 1
970 1 86 ASN H 1 87 CYS H 2.500 . 2.800 2.470 2.365 2.707 . 0 0 "[ . 1 . 2]" 1
971 1 86 ASN H 1 89 LEU H 4.500 . 4.800 4.807 4.686 4.879 0.079 16 0 "[ . 1 . 2]" 1
972 1 83 MET HB2 1 86 ASN H 5.400 . 5.700 5.739 5.589 5.922 0.222 13 0 "[ . 1 . 2]" 1
973 1 83 MET HA 1 86 ASN H 3.600 . 3.900 3.624 3.474 3.798 . 0 0 "[ . 1 . 2]" 1
974 1 84 VAL QG 1 86 ASN H 5.300 . 5.600 4.229 4.086 4.309 . 0 0 "[ . 1 . 2]" 1
975 1 83 MET HB2 1 86 ASN QB 6.200 . 6.500 5.895 5.479 6.073 . 0 0 "[ . 1 . 2]" 1
976 1 52 ARG HA 1 86 ASN QB 4.900 . 5.200 5.554 4.729 6.010 0.810 10 11 "[ . *+*-****** *]" 1
977 1 87 CYS H 1 87 CYS HA 2.800 . 3.100 2.812 2.794 2.830 . 0 0 "[ . 1 . 2]" 1
978 1 87 CYS H 1 87 CYS HB2 2.100 . 2.400 2.245 2.068 2.481 0.081 19 0 "[ . 1 . 2]" 1
979 1 87 CYS H 1 88 ILE H 2.800 . 3.100 2.923 2.781 2.997 . 0 0 "[ . 1 . 2]" 1
980 1 87 CYS H 1 89 LEU H 4.000 . 4.300 3.732 3.607 3.784 . 0 0 "[ . 1 . 2]" 1
981 1 83 MET HB3 1 87 CYS H 5.300 . 5.600 5.139 4.981 5.318 . 0 0 "[ . 1 . 2]" 1
982 1 86 ASN QB 1 87 CYS H 2.400 . 2.700 3.023 2.788 3.173 0.473 18 0 "[ . 1 . 2]" 1
983 1 88 ILE H 1 88 ILE HA 2.900 . 3.200 2.837 2.770 2.882 . 0 0 "[ . 1 . 2]" 1
984 1 88 ILE H 1 89 LEU QD 6.400 . 6.500 5.427 5.252 5.586 . 0 0 "[ . 1 . 2]" 1
985 1 86 ASN QB 1 88 ILE H 5.000 . 5.300 5.392 5.178 5.550 0.250 18 0 "[ . 1 . 2]" 1
986 1 87 CYS HA 1 88 ILE H 3.500 . 3.800 3.567 3.564 3.570 . 0 0 "[ . 1 . 2]" 1
987 1 88 ILE HA 1 89 LEU HB3 5.600 . 5.900 5.789 5.679 5.985 0.085 4 0 "[ . 1 . 2]" 1
988 1 88 ILE HA 1 94 GLU HB3 6.200 . 6.500 6.064 5.657 6.406 . 0 0 "[ . 1 . 2]" 1
989 1 89 LEU H 1 89 LEU HA 2.800 . 3.100 2.846 2.836 2.864 . 0 0 "[ . 1 . 2]" 1
990 1 89 LEU H 1 89 LEU HB2 2.700 . 3.000 2.563 2.357 2.716 . 0 0 "[ . 1 . 2]" 1
991 1 89 LEU H 1 89 LEU HB3 2.300 . 2.600 2.477 2.327 2.706 0.106 4 0 "[ . 1 . 2]" 1
992 1 89 LEU H 1 89 LEU QD 4.400 . 4.700 3.678 3.563 3.727 . 0 0 "[ . 1 . 2]" 1
993 1 89 LEU H 1 90 PHE HB3 5.800 . 6.100 5.208 4.850 5.457 . 0 0 "[ . 1 . 2]" 1
994 1 86 ASN HA 1 89 LEU H 3.200 . 3.500 3.491 3.298 3.684 0.184 12 0 "[ . 1 . 2]" 1
995 1 86 ASN QB 1 89 LEU H 5.100 . 5.400 5.044 4.953 5.090 . 0 0 "[ . 1 . 2]" 1
996 1 88 ILE H 1 89 LEU H 2.500 . 2.800 2.546 2.391 2.740 . 0 0 "[ . 1 . 2]" 1
997 1 88 ILE HA 1 89 LEU H 3.500 . 3.800 3.489 3.472 3.503 . 0 0 "[ . 1 . 2]" 1
998 1 88 ILE MD 1 89 LEU HB2 2.800 . 3.100 2.707 2.338 3.317 0.217 4 0 "[ . 1 . 2]" 1
999 1 86 ASN HA 1 89 LEU HB2 3.100 . 3.400 3.451 3.225 3.592 0.192 13 0 "[ . 1 . 2]" 1
1000 1 90 PHE H 1 90 PHE HA 2.800 . 3.100 2.794 2.753 2.866 . 0 0 "[ . 1 . 2]" 1
1001 1 90 PHE H 1 90 PHE HB2 2.100 . 2.400 2.266 2.134 2.448 0.048 1 0 "[ . 1 . 2]" 1
1002 1 90 PHE H 1 90 PHE HB3 3.200 . 3.500 2.845 2.618 3.031 . 0 0 "[ . 1 . 2]" 1
1003 1 90 PHE H 1 90 PHE QD 3.500 . 3.800 4.027 3.710 4.171 0.371 1 0 "[ . 1 . 2]" 1
1004 1 90 PHE H 1 92 GLY H 5.600 . 5.900 5.675 4.143 6.003 0.103 9 0 "[ . 1 . 2]" 1
1005 1 86 ASN HA 1 90 PHE H 3.700 . 4.000 2.876 2.528 3.718 . 0 0 "[ . 1 . 2]" 1
1006 1 88 ILE HA 1 90 PHE H 5.200 . 5.500 5.154 4.596 5.325 . 0 0 "[ . 1 . 2]" 1
1007 1 88 ILE H 1 90 PHE H 4.800 . 5.100 4.718 4.377 4.883 . 0 0 "[ . 1 . 2]" 1
1008 1 89 LEU HB2 1 90 PHE H 3.600 . 3.900 3.587 3.379 3.822 . 0 0 "[ . 1 . 2]" 1
1009 1 89 LEU QD 1 90 PHE H 2.500 . 2.800 2.546 2.139 2.838 0.038 12 0 "[ . 1 . 2]" 1
1010 1 90 PHE HB3 1 91 ASN HA 4.600 . 4.900 4.595 4.510 4.910 0.010 12 0 "[ . 1 . 2]" 1
1011 1 89 LEU HB2 1 90 PHE HB2 5.500 . 5.800 5.530 5.278 5.914 0.114 12 0 "[ . 1 . 2]" 1
1012 1 86 ASN QB 1 90 PHE HA 6.500 . 6.500 6.046 5.878 6.213 . 0 0 "[ . 1 . 2]" 1
1013 1 90 PHE HA 1 90 PHE QD 3.100 . 3.400 2.692 2.140 2.903 . 0 0 "[ . 1 . 2]" 1
1014 1 90 PHE HA 1 91 ASN HB2 4.600 . 4.900 4.329 4.248 4.551 . 0 0 "[ . 1 . 2]" 1
1015 1 91 ASN H 1 91 ASN HA 2.800 . 3.100 2.788 2.777 2.823 . 0 0 "[ . 1 . 2]" 1
1016 1 91 ASN H 1 91 ASN HB2 3.700 . 4.000 3.157 3.103 3.331 . 0 0 "[ . 1 . 2]" 1
1017 1 91 ASN H 1 92 GLY QA 4.300 . 4.600 3.990 3.555 4.073 . 0 0 "[ . 1 . 2]" 1
1018 1 91 ASN H 1 92 GLY H 3.400 . 3.700 3.446 1.896 3.711 0.011 2 0 "[ . 1 . 2]" 1
1019 1 88 ILE HA 1 91 ASN H 4.100 . 4.400 4.414 3.800 4.683 0.283 11 0 "[ . 1 . 2]" 1
1020 1 89 LEU QD 1 91 ASN H 5.000 . 5.300 4.729 4.347 5.030 . 0 0 "[ . 1 . 2]" 1
1021 1 89 LEU HB2 1 91 ASN H 6.000 . 6.300 6.007 5.484 6.188 . 0 0 "[ . 1 . 2]" 1
1022 1 89 LEU HB3 1 91 ASN H 4.700 . 5.000 4.839 4.780 4.922 . 0 0 "[ . 1 . 2]" 1
1023 1 90 PHE HA 1 91 ASN H 3.600 . 3.900 3.561 3.479 3.571 . 0 0 "[ . 1 . 2]" 1
1024 1 90 PHE H 1 91 ASN H 2.900 . 3.200 2.904 2.727 3.006 . 0 0 "[ . 1 . 2]" 1
1025 1 90 PHE QD 1 91 ASN H 4.500 . 4.800 3.633 3.011 4.002 . 0 0 "[ . 1 . 2]" 1
1026 1 87 CYS HA 1 91 ASN HB2 6.500 . 6.500 6.174 5.672 6.584 0.084 12 0 "[ . 1 . 2]" 1
1027 1 87 CYS HA 1 91 ASN HB3 6.000 . 6.300 6.100 5.708 6.392 0.092 12 0 "[ . 1 . 2]" 1
1028 1 88 ILE HA 1 91 ASN HD21 6.500 . 6.500 6.147 5.901 6.425 . 0 0 "[ . 1 . 2]" 1
1029 1 91 ASN HB3 1 91 ASN HD22 4.000 . 4.300 3.619 3.477 3.681 . 0 0 "[ . 1 . 2]" 1
1030 1 92 GLY H 1 92 GLY QA 2.600 . 2.900 2.473 2.382 2.500 . 0 0 "[ . 1 . 2]" 1
1031 1 92 GLY H 1 93 ALA HA 5.300 . 5.600 4.617 4.560 4.663 . 0 0 "[ . 1 . 2]" 1
1032 1 92 GLY H 1 93 ALA MB 5.700 . 6.000 4.445 4.086 4.511 . 0 0 "[ . 1 . 2]" 1
1033 1 92 GLY H 1 93 ALA H 4.000 . 4.300 2.618 1.852 2.708 . 0 0 "[ . 1 . 2]" 1
1034 1 91 ASN HB2 1 92 GLY H 4.500 . 4.800 4.528 3.725 4.637 . 0 0 "[ . 1 . 2]" 1
1035 1 91 ASN HA 1 92 GLY H 2.200 . 2.500 2.297 2.148 3.523 1.023 17 2 "[ . 1 - . + 2]" 1
1036 1 92 GLY QA 1 93 ALA MB 4.500 . 4.800 3.782 3.675 3.841 . 0 0 "[ . 1 . 2]" 1
1037 1 93 ALA H 1 93 ALA HA 2.800 . 3.100 2.917 2.819 2.932 . 0 0 "[ . 1 . 2]" 1
1038 1 93 ALA H 1 93 ALA MB 2.500 . 2.800 2.325 2.165 2.888 0.088 17 0 "[ . 1 . 2]" 1
1039 1 93 ALA H 1 94 GLU H 3.100 . 3.400 2.598 1.995 2.799 . 0 0 "[ . 1 . 2]" 1
1040 1 93 ALA H 1 94 GLU HB2 4.700 . 5.000 4.023 3.608 4.134 . 0 0 "[ . 1 . 2]" 1
1041 1 93 ALA H 1 94 GLU HB3 5.900 . 6.200 5.336 4.568 5.432 . 0 0 "[ . 1 . 2]" 1
1042 1 88 ILE MD 1 93 ALA H 6.400 . 6.500 5.211 5.008 5.937 . 0 0 "[ . 1 . 2]" 1
1043 1 92 GLY QA 1 93 ALA H 2.200 . 2.500 2.438 2.375 2.828 0.328 12 0 "[ . 1 . 2]" 1
1044 1 93 ALA HA 1 93 ALA MB 2.400 . 2.700 2.110 2.082 2.128 . 0 0 "[ . 1 . 2]" 1
1045 1 94 GLU H 1 94 GLU HA 2.300 . 2.600 2.275 2.274 2.276 . 0 0 "[ . 1 . 2]" 1
1046 1 94 GLU H 1 94 GLU HB2 3.100 . 3.400 3.034 3.005 3.089 . 0 0 "[ . 1 . 2]" 1
1047 1 94 GLU H 1 94 GLU HB3 3.900 . 4.200 3.874 3.716 3.907 . 0 0 "[ . 1 . 2]" 1
1048 1 93 ALA MB 1 94 GLU H 2.100 . 2.400 2.103 1.915 2.544 0.144 12 0 "[ . 1 . 2]" 1
1049 1 94 GLU HA 1 94 GLU HB2 2.700 . 3.000 2.716 2.565 2.745 . 0 0 "[ . 1 . 2]" 1
1050 1 93 ALA MB 1 94 GLU HA 4.300 . 4.600 3.871 3.780 4.206 . 0 0 "[ . 1 . 2]" 1
1051 1 94 GLU HA 1 97 TYR HA 6.500 . 6.500 6.557 6.527 6.738 0.238 17 0 "[ . 1 . 2]" 1
1052 1 95 GLY H 1 97 TYR QD 6.000 . 6.300 4.918 4.310 5.547 . 0 0 "[ . 1 . 2]" 1
1053 1 92 GLY QA 1 95 GLY H 6.500 . 6.500 6.543 6.328 6.600 0.100 4 0 "[ . 1 . 2]" 1
1054 1 93 ALA MB 1 95 GLY H 2.600 . 2.900 2.340 2.190 2.485 . 0 0 "[ . 1 . 2]" 1
1055 1 94 GLU HA 1 95 GLY H 3.000 . 3.300 3.050 3.014 3.103 . 0 0 "[ . 1 . 2]" 1
1056 1 94 GLU HB2 1 95 GLY H 4.400 . 4.700 4.304 4.266 4.395 . 0 0 "[ . 1 . 2]" 1
1057 1 94 GLU HB3 1 95 GLY H 4.100 . 4.400 3.980 3.850 4.022 . 0 0 "[ . 1 . 2]" 1
1058 1 94 GLU H 1 95 GLY H 2.600 . 2.900 2.675 2.645 2.702 . 0 0 "[ . 1 . 2]" 1
1059 1 96 ALA H 1 96 ALA MB 2.300 . 2.600 2.497 2.409 2.896 0.296 17 0 "[ . 1 . 2]" 1
1060 1 96 ALA H 1 97 TYR H 3.900 . 4.200 3.175 2.799 3.385 . 0 0 "[ . 1 . 2]" 1
1061 1 96 ALA H 1 97 TYR HB2 6.500 . 6.500 6.210 5.717 6.373 . 0 0 "[ . 1 . 2]" 1
1062 1 96 ALA H 1 97 TYR HB3 5.700 . 6.000 4.991 4.510 5.207 . 0 0 "[ . 1 . 2]" 1
1063 1 96 ALA H 1 97 TYR QD 5.600 . 5.900 4.914 4.560 5.296 . 0 0 "[ . 1 . 2]" 1
1064 1 96 ALA H 1 98 ALA H 5.600 . 5.900 5.133 4.870 5.195 . 0 0 "[ . 1 . 2]" 1
1065 1 93 ALA HA 1 96 ALA H 3.600 . 3.900 3.265 3.114 3.612 . 0 0 "[ . 1 . 2]" 1
1066 1 94 GLU HB2 1 96 ALA H 5.700 . 6.000 5.364 4.785 5.439 . 0 0 "[ . 1 . 2]" 1
1067 1 94 GLU HA 1 96 ALA H 5.000 . 5.300 4.814 4.559 4.871 . 0 0 "[ . 1 . 2]" 1
1068 1 97 TYR H 1 97 TYR HA 2.800 . 3.100 2.758 2.752 2.760 . 0 0 "[ . 1 . 2]" 1
1069 1 97 TYR H 1 97 TYR HB2 3.600 . 3.900 3.582 3.565 3.592 . 0 0 "[ . 1 . 2]" 1
1070 1 97 TYR H 1 97 TYR QD 2.000 . 2.300 2.150 1.998 2.326 0.026 20 0 "[ . 1 . 2]" 1
1071 1 97 TYR H 1 97 TYR QE 4.200 . 4.500 4.173 4.019 4.346 . 0 0 "[ . 1 . 2]" 1
1072 1 97 TYR H 1 98 ALA MB 4.800 . 5.100 4.347 4.305 4.433 . 0 0 "[ . 1 . 2]" 1
1073 1 93 ALA HA 1 97 TYR H 6.500 . 6.500 5.243 2.835 5.514 . 0 0 "[ . 1 . 2]" 1
1074 1 95 GLY H 1 97 TYR H 4.400 . 4.700 3.665 3.308 4.143 . 0 0 "[ . 1 . 2]" 1
1075 1 96 ALA MB 1 97 TYR H 4.200 . 4.500 3.713 3.691 3.721 . 0 0 "[ . 1 . 2]" 1
1076 1 93 ALA MB 1 97 TYR HA 4.300 . 4.600 2.522 2.328 3.401 . 0 0 "[ . 1 . 2]" 1
1077 1 97 TYR HA 1 97 TYR HB2 2.400 . 2.700 2.432 2.378 2.484 . 0 0 "[ . 1 . 2]" 1
1078 1 97 TYR HA 1 98 ALA MB 5.700 . 6.000 4.957 4.945 4.995 . 0 0 "[ . 1 . 2]" 1
1079 1 97 TYR HA 1 97 TYR QD 4.200 . 4.500 3.738 3.732 3.742 . 0 0 "[ . 1 . 2]" 1
1080 1 98 ALA H 1 98 ALA HA 2.800 . 3.100 2.782 2.774 2.855 . 0 0 "[ . 1 . 2]" 1
1081 1 98 ALA H 1 98 ALA MB 2.300 . 2.600 2.098 2.024 2.232 . 0 0 "[ . 1 . 2]" 1
1082 1 98 ALA H 1 99 ASP HA 5.300 . 5.600 5.278 5.149 5.309 . 0 0 "[ . 1 . 2]" 1
1083 1 95 GLY H 1 98 ALA H 6.500 . 6.500 6.199 5.955 6.714 0.214 12 0 "[ . 1 . 2]" 1
1084 1 97 TYR HA 1 98 ALA H 3.500 . 3.800 3.481 3.478 3.482 . 0 0 "[ . 1 . 2]" 1
1085 1 97 TYR HB2 1 98 ALA H 3.900 . 4.200 3.957 3.873 4.046 . 0 0 "[ . 1 . 2]" 1
1086 1 97 TYR HB3 1 98 ALA H 4.000 . 4.300 4.012 3.935 4.084 . 0 0 "[ . 1 . 2]" 1
1087 1 97 TYR QD 1 98 ALA H 3.400 . 3.700 3.187 2.993 3.263 . 0 0 "[ . 1 . 2]" 1
1088 1 97 TYR HA 1 98 ALA HA 4.900 . 5.200 4.860 4.752 4.873 . 0 0 "[ . 1 . 2]" 1
1089 1 98 ALA HA 1 102 ARG HB2 5.300 . 5.600 5.434 4.766 5.507 . 0 0 "[ . 1 . 2]" 1
1090 1 98 ALA HA 1 98 ALA MB 2.300 . 2.600 2.098 2.082 2.128 . 0 0 "[ . 1 . 2]" 1
1091 1 99 ASP H 1 99 ASP HA 2.800 . 3.100 2.815 2.769 2.833 . 0 0 "[ . 1 . 2]" 1
1092 1 99 ASP H 1 99 ASP HB2 2.600 . 2.900 2.413 2.289 2.604 . 0 0 "[ . 1 . 2]" 1
1093 1 99 ASP H 1 101 ALA H 3.900 . 4.200 3.885 3.801 4.061 . 0 0 "[ . 1 . 2]" 1
1094 1 98 ALA HA 1 99 ASP H 3.500 . 3.800 3.479 3.466 3.534 . 0 0 "[ . 1 . 2]" 1
1095 1 98 ALA MB 1 99 ASP H 2.900 . 3.200 2.865 2.604 2.951 . 0 0 "[ . 1 . 2]" 1
1096 1 98 ALA H 1 99 ASP H 2.700 . 3.000 2.706 2.539 2.729 . 0 0 "[ . 1 . 2]" 1
1097 1 100 ALA H 1 100 ALA HA 2.900 . 3.200 2.877 2.838 2.883 . 0 0 "[ . 1 . 2]" 1
1098 1 100 ALA H 1 100 ALA MB 2.200 . 2.500 2.134 2.074 2.267 . 0 0 "[ . 1 . 2]" 1
1099 1 100 ALA H 1 101 ALA H 2.500 . 2.800 2.405 2.385 2.563 . 0 0 "[ . 1 . 2]" 1
1100 1 100 ALA H 1 101 ALA MB 4.600 . 4.900 4.053 3.956 4.232 . 0 0 "[ . 1 . 2]" 1
1101 1 100 ALA H 1 102 ARG H 4.100 . 4.400 4.103 4.036 4.169 . 0 0 "[ . 1 . 2]" 1
1102 1 100 ALA H 1 103 THR MG 5.300 . 5.600 4.584 3.957 4.878 . 0 0 "[ . 1 . 2]" 1
1103 1 84 VAL QG 1 100 ALA H 5.100 . 5.400 4.746 4.316 5.205 . 0 0 "[ . 1 . 2]" 1
1104 1 97 TYR QD 1 100 ALA H 5.700 . 6.000 5.249 5.002 5.861 . 0 0 "[ . 1 . 2]" 1
1105 1 99 ASP HA 1 100 ALA H 3.500 . 3.800 3.523 3.506 3.548 . 0 0 "[ . 1 . 2]" 1
1106 1 99 ASP HB2 1 100 ALA H 3.900 . 4.200 2.733 2.668 2.793 . 0 0 "[ . 1 . 2]" 1
1107 1 101 ALA H 1 101 ALA HA 2.900 . 3.200 2.847 2.839 2.857 . 0 0 "[ . 1 . 2]" 1
1108 1 101 ALA H 1 101 ALA MB 2.300 . 2.600 2.163 2.042 2.245 . 0 0 "[ . 1 . 2]" 1
1109 1 101 ALA H 1 102 ARG H 2.500 . 2.800 2.527 2.494 2.567 . 0 0 "[ . 1 . 2]" 1
1110 1 101 ALA H 1 103 THR H 4.500 . 4.800 4.473 4.276 4.542 . 0 0 "[ . 1 . 2]" 1
1111 1 101 ALA H 1 104 PHE HB3 5.100 . 5.400 5.101 5.027 5.176 . 0 0 "[ . 1 . 2]" 1
1112 1 84 VAL QG 1 101 ALA H 5.500 . 5.800 4.690 3.974 5.270 . 0 0 "[ . 1 . 2]" 1
1113 1 98 ALA HA 1 101 ALA H 3.300 . 3.600 3.171 3.132 3.239 . 0 0 "[ . 1 . 2]" 1
1114 1 99 ASP HB2 1 101 ALA H 5.600 . 5.900 4.871 4.771 4.938 . 0 0 "[ . 1 . 2]" 1
1115 1 100 ALA HA 1 101 ALA H 3.500 . 3.800 3.459 3.442 3.509 . 0 0 "[ . 1 . 2]" 1
1116 1 100 ALA MB 1 101 ALA H 3.100 . 3.400 2.937 2.760 2.994 . 0 0 "[ . 1 . 2]" 1
1117 1 100 ALA HA 1 101 ALA HA 4.700 . 5.000 4.767 4.753 4.781 . 0 0 "[ . 1 . 2]" 1
1118 1 84 VAL HB 1 101 ALA HA 6.500 . 6.500 6.036 5.148 6.506 0.006 18 0 "[ . 1 . 2]" 1
1119 1 84 VAL QG 1 101 ALA HA 5.700 . 6.000 4.288 3.351 5.092 . 0 0 "[ . 1 . 2]" 1
1120 1 98 ALA HA 1 101 ALA HA 5.200 . 5.500 5.006 4.850 5.149 . 0 0 "[ . 1 . 2]" 1
1121 1 101 ALA HA 1 102 ARG HA 4.900 . 5.200 4.818 4.755 4.849 . 0 0 "[ . 1 . 2]" 1
1122 1 101 ALA HA 1 102 ARG HB2 5.700 . 6.000 5.607 5.563 5.703 . 0 0 "[ . 1 . 2]" 1
1123 1 101 ALA HA 1 104 PHE HB3 2.300 . 2.600 2.490 2.346 2.727 0.127 12 0 "[ . 1 . 2]" 1
1124 1 102 ARG H 1 102 ARG HB2 2.300 . 2.600 2.175 2.071 2.313 . 0 0 "[ . 1 . 2]" 1
1125 1 102 ARG H 1 102 ARG HB3 2.700 . 3.000 2.955 2.753 3.238 0.238 12 0 "[ . 1 . 2]" 1
1126 1 102 ARG H 1 103 THR HA 5.400 . 5.700 5.364 5.285 5.414 . 0 0 "[ . 1 . 2]" 1
1127 1 102 ARG H 1 103 THR MG 4.100 . 4.400 3.766 3.640 3.978 . 0 0 "[ . 1 . 2]" 1
1128 1 102 ARG H 1 103 THR H 2.900 . 3.200 2.786 2.691 2.847 . 0 0 "[ . 1 . 2]" 1
1129 1 99 ASP HB2 1 102 ARG H 5.800 . 6.100 5.752 5.673 5.816 . 0 0 "[ . 1 . 2]" 1
1130 1 102 ARG HA 1 103 THR HB 5.900 . 6.200 5.904 5.805 5.948 . 0 0 "[ . 1 . 2]" 1
1131 1 102 ARG HA 1 103 THR MG 5.400 . 5.700 4.953 4.882 5.106 . 0 0 "[ . 1 . 2]" 1
1132 1 102 ARG HA 1 105 GLU HB2 3.900 . 4.200 3.315 3.055 3.566 . 0 0 "[ . 1 . 2]" 1
1133 1 102 ARG HA 1 105 GLU QG 6.400 . 6.500 4.298 3.288 5.200 . 0 0 "[ . 1 . 2]" 1
1134 1 103 THR H 1 103 THR HA 2.800 . 3.100 2.818 2.794 2.837 . 0 0 "[ . 1 . 2]" 1
1135 1 103 THR H 1 103 THR HB 2.600 . 2.900 2.622 2.524 2.669 . 0 0 "[ . 1 . 2]" 1
1136 1 103 THR H 1 103 THR MG 2.000 . 2.300 1.976 1.917 2.143 . 0 0 "[ . 1 . 2]" 1
1137 1 103 THR H 1 104 PHE HB3 4.900 . 5.200 4.799 4.748 4.827 . 0 0 "[ . 1 . 2]" 1
1138 1 100 ALA H 1 103 THR H 5.500 . 5.800 5.377 4.888 5.515 . 0 0 "[ . 1 . 2]" 1
1139 1 100 ALA MB 1 103 THR H 5.700 . 6.000 4.851 4.786 4.933 . 0 0 "[ . 1 . 2]" 1
1140 1 102 ARG HA 1 103 THR H 3.600 . 3.900 3.563 3.561 3.564 . 0 0 "[ . 1 . 2]" 1
1141 1 102 ARG HB3 1 103 THR H 2.300 . 2.600 2.388 2.322 2.638 0.038 12 0 "[ . 1 . 2]" 1
1142 1 102 ARG HB2 1 103 THR HB 5.700 . 6.000 5.509 5.092 5.743 . 0 0 "[ . 1 . 2]" 1
1143 1 102 ARG HB3 1 103 THR HB 4.000 . 4.300 4.033 3.884 4.244 . 0 0 "[ . 1 . 2]" 1
1144 1 100 ALA HA 1 103 THR HB 4.800 . 5.100 4.417 4.090 4.619 . 0 0 "[ . 1 . 2]" 1
1145 1 104 PHE H 1 104 PHE HB3 2.700 . 3.000 2.458 2.394 2.528 . 0 0 "[ . 1 . 2]" 1
1146 1 104 PHE H 1 104 PHE QD 4.400 . 4.700 4.176 4.154 4.185 . 0 0 "[ . 1 . 2]" 1
1147 1 104 PHE H 1 105 GLU HA 5.400 . 5.700 5.373 5.311 5.473 . 0 0 "[ . 1 . 2]" 1
1148 1 104 PHE H 1 105 GLU H 2.900 . 3.200 2.811 2.730 2.979 . 0 0 "[ . 1 . 2]" 1
1149 1 104 PHE H 1 106 LYS H 4.300 . 4.600 4.103 3.822 4.193 . 0 0 "[ . 1 . 2]" 1
1150 1 104 PHE H 1 107 PHE H 4.800 . 5.100 4.917 4.535 5.067 . 0 0 "[ . 1 . 2]" 1
1151 1 80 ILE MD 1 104 PHE H 6.500 . 6.500 4.277 3.612 4.873 . 0 0 "[ . 1 . 2]" 1
1152 1 100 ALA H 1 104 PHE H 6.400 . 6.500 6.297 5.876 6.380 . 0 0 "[ . 1 . 2]" 1
1153 1 100 ALA MB 1 104 PHE H 5.200 . 5.500 4.744 4.644 4.775 . 0 0 "[ . 1 . 2]" 1
1154 1 101 ALA H 1 104 PHE H 4.800 . 5.100 4.814 4.646 4.872 . 0 0 "[ . 1 . 2]" 1
1155 1 102 ARG HB3 1 104 PHE H 4.700 . 5.000 4.737 4.683 4.895 . 0 0 "[ . 1 . 2]" 1
1156 1 102 ARG HD2 1 104 PHE H 6.300 . 6.500 5.810 5.277 6.201 . 0 0 "[ . 1 . 2]" 1
1157 1 103 THR HA 1 104 PHE H 3.500 . 3.800 3.504 3.491 3.527 . 0 0 "[ . 1 . 2]" 1
1158 1 103 THR HB 1 104 PHE H 4.000 . 4.300 4.033 3.977 4.070 . 0 0 "[ . 1 . 2]" 1
1159 1 103 THR MG 1 104 PHE H 2.300 . 2.600 2.167 2.072 2.243 . 0 0 "[ . 1 . 2]" 1
1160 1 103 THR H 1 104 PHE H 2.500 . 2.800 2.622 2.558 2.695 . 0 0 "[ . 1 . 2]" 1
1161 1 105 GLU H 1 105 GLU HA 2.800 . 3.100 2.777 2.760 2.807 . 0 0 "[ . 1 . 2]" 1
1162 1 105 GLU H 1 106 LYS H 2.900 . 3.200 2.772 2.660 2.824 . 0 0 "[ . 1 . 2]" 1
1163 1 105 GLU H 1 107 PHE H 4.300 . 4.600 4.393 4.205 4.512 . 0 0 "[ . 1 . 2]" 1
1164 1 105 GLU H 1 108 ALA MB 5.100 . 5.400 5.064 4.901 5.260 . 0 0 "[ . 1 . 2]" 1
1165 1 101 ALA HA 1 105 GLU H 3.500 . 3.800 4.071 3.850 4.132 0.332 12 0 "[ . 1 . 2]" 1
1166 1 101 ALA H 1 105 GLU H 5.800 . 6.100 6.200 6.053 6.296 0.196 14 0 "[ . 1 . 2]" 1
1167 1 102 ARG HB3 1 105 GLU H 5.900 . 6.200 5.767 5.673 6.064 . 0 0 "[ . 1 . 2]" 1
1168 1 102 ARG HD2 1 105 GLU H 5.700 . 6.000 5.803 5.312 6.478 0.478 8 0 "[ . 1 . 2]" 1
1169 1 102 ARG HA 1 105 GLU H 4.100 . 4.400 3.845 3.738 4.003 . 0 0 "[ . 1 . 2]" 1
1170 1 103 THR MG 1 105 GLU H 5.100 . 5.400 4.530 4.445 4.641 . 0 0 "[ . 1 . 2]" 1
1171 1 104 PHE HA 1 105 GLU H 3.600 . 3.900 3.564 3.559 3.570 . 0 0 "[ . 1 . 2]" 1
1172 1 104 PHE HB3 1 105 GLU H 2.200 . 2.500 2.358 2.163 2.404 . 0 0 "[ . 1 . 2]" 1
1173 1 104 PHE QD 1 105 GLU H 3.700 . 4.000 2.965 2.659 3.096 . 0 0 "[ . 1 . 2]" 1
1174 1 105 GLU HB2 1 105 GLU QG 2.600 . 2.900 2.278 2.135 2.507 . 0 0 "[ . 1 . 2]" 1
1175 1 106 LYS H 1 106 LYS HA 2.800 . 3.100 2.780 2.758 2.823 . 0 0 "[ . 1 . 2]" 1
1176 1 106 LYS H 1 106 LYS QB 2.200 . 2.500 2.167 2.039 2.398 . 0 0 "[ . 1 . 2]" 1
1177 1 106 LYS H 1 107 PHE H 2.800 . 3.100 2.803 2.698 2.884 . 0 0 "[ . 1 . 2]" 1
1178 1 106 LYS H 1 107 PHE HA 5.400 . 5.700 5.372 5.282 5.435 . 0 0 "[ . 1 . 2]" 1
1179 1 106 LYS H 1 107 PHE HB2 4.700 . 5.000 4.612 4.454 4.718 . 0 0 "[ . 1 . 2]" 1
1180 1 106 LYS H 1 107 PHE QD 5.400 . 5.700 4.654 4.405 4.802 . 0 0 "[ . 1 . 2]" 1
1181 1 106 LYS H 1 108 ALA MB 5.300 . 5.600 4.957 4.883 5.102 . 0 0 "[ . 1 . 2]" 1
1182 1 106 LYS H 1 108 ALA H 4.200 . 4.500 4.355 4.289 4.439 . 0 0 "[ . 1 . 2]" 1
1183 1 106 LYS H 1 109 MET H 5.200 . 5.500 4.918 4.722 5.099 . 0 0 "[ . 1 . 2]" 1
1184 1 102 ARG HA 1 106 LYS H 4.300 . 4.600 4.534 3.890 4.653 0.053 15 0 "[ . 1 . 2]" 1
1185 1 103 THR MG 1 106 LYS H 5.900 . 6.200 5.075 4.929 5.157 . 0 0 "[ . 1 . 2]" 1
1186 1 104 PHE QD 1 106 LYS H 6.400 . 6.500 5.198 4.976 5.333 . 0 0 "[ . 1 . 2]" 1
1187 1 105 GLU HA 1 106 LYS H 3.600 . 3.900 3.534 3.502 3.545 . 0 0 "[ . 1 . 2]" 1
1188 1 105 GLU HB2 1 106 LYS H 3.400 . 3.700 2.775 2.555 2.978 . 0 0 "[ . 1 . 2]" 1
1189 1 107 PHE H 1 107 PHE HA 2.800 . 3.100 2.770 2.755 2.823 . 0 0 "[ . 1 . 2]" 1
1190 1 107 PHE H 1 107 PHE HB2 2.200 . 2.500 2.157 2.126 2.227 . 0 0 "[ . 1 . 2]" 1
1191 1 107 PHE H 1 107 PHE HB3 3.500 . 3.800 3.467 3.436 3.521 . 0 0 "[ . 1 . 2]" 1
1192 1 107 PHE H 1 107 PHE QD 3.400 . 3.700 2.516 2.200 2.616 . 0 0 "[ . 1 . 2]" 1
1193 1 107 PHE H 1 108 ALA MB 4.600 . 4.900 4.436 4.289 4.533 . 0 0 "[ . 1 . 2]" 1
1194 1 107 PHE H 1 108 ALA H 2.700 . 3.000 2.833 2.689 2.891 . 0 0 "[ . 1 . 2]" 1
1195 1 107 PHE H 1 109 MET H 4.500 . 4.800 4.273 4.082 4.392 . 0 0 "[ . 1 . 2]" 1
1196 1 107 PHE H 1 110 GLY H 4.900 . 5.200 4.909 4.716 5.062 . 0 0 "[ . 1 . 2]" 1
1197 1 17 LEU HG 1 107 PHE H 4.900 . 5.200 4.668 4.057 4.709 . 0 0 "[ . 1 . 2]" 1
1198 1 103 THR MG 1 107 PHE H 5.500 . 5.800 5.177 4.841 5.330 . 0 0 "[ . 1 . 2]" 1
1199 1 104 PHE QD 1 107 PHE H 5.500 . 5.800 5.388 5.252 5.561 . 0 0 "[ . 1 . 2]" 1
1200 1 105 GLU HB3 1 107 PHE H 4.900 . 5.200 5.482 5.212 5.707 0.507 6 1 "[ .+ 1 . 2]" 1
1201 1 106 LYS HA 1 107 PHE H 3.500 . 3.800 3.550 3.521 3.561 . 0 0 "[ . 1 . 2]" 1
1202 1 106 LYS QB 1 107 PHE H 2.800 . 3.100 2.523 2.335 2.759 . 0 0 "[ . 1 . 2]" 1
1203 1 108 ALA H 1 108 ALA HA 2.800 . 3.100 2.788 2.757 2.822 . 0 0 "[ . 1 . 2]" 1
1204 1 108 ALA H 1 108 ALA MB 2.200 . 2.500 2.167 2.026 2.231 . 0 0 "[ . 1 . 2]" 1
1205 1 108 ALA H 1 109 MET H 2.900 . 3.200 2.765 2.621 2.874 . 0 0 "[ . 1 . 2]" 1
1206 1 108 ALA H 1 112 ILE MD 6.500 . 6.500 6.008 5.353 6.518 0.018 13 0 "[ . 1 . 2]" 1
1207 1 105 GLU H 1 108 ALA H 4.800 . 5.100 5.095 5.018 5.203 0.103 15 0 "[ . 1 . 2]" 1
1208 1 107 PHE HA 1 108 ALA H 3.500 . 3.800 3.551 3.544 3.558 . 0 0 "[ . 1 . 2]" 1
1209 1 107 PHE HB2 1 108 ALA H 2.800 . 3.100 2.812 2.694 2.896 . 0 0 "[ . 1 . 2]" 1
1210 1 107 PHE QD 1 108 ALA H 5.000 . 5.300 4.499 4.426 4.550 . 0 0 "[ . 1 . 2]" 1
1211 1 109 MET H 1 109 MET HA 2.800 . 3.100 2.796 2.795 2.799 . 0 0 "[ . 1 . 2]" 1
1212 1 109 MET H 1 109 MET HB2 2.100 . 2.400 2.263 2.096 2.451 0.051 11 0 "[ . 1 . 2]" 1
1213 1 109 MET H 1 109 MET HB3 3.300 . 3.600 2.833 2.596 3.096 . 0 0 "[ . 1 . 2]" 1
1214 1 109 MET H 1 109 MET QG 4.300 . 4.600 3.895 3.657 4.036 . 0 0 "[ . 1 . 2]" 1
1215 1 109 MET H 1 110 GLY QA 5.000 . 5.300 4.592 4.568 4.601 . 0 0 "[ . 1 . 2]" 1
1216 1 109 MET H 1 110 GLY H 2.700 . 3.000 2.751 2.698 2.769 . 0 0 "[ . 1 . 2]" 1
1217 1 109 MET H 1 111 LYS HB2 5.200 . 5.500 5.714 5.299 5.802 0.302 5 0 "[ . 1 . 2]" 1
1218 1 109 MET H 1 111 LYS H 4.200 . 4.500 4.261 4.112 4.402 . 0 0 "[ . 1 . 2]" 1
1219 1 105 GLU H 1 109 MET H 6.500 . 6.500 6.443 6.233 6.518 0.018 18 0 "[ . 1 . 2]" 1
1220 1 106 LYS QD 1 109 MET H 6.500 . 6.500 5.198 4.325 5.935 . 0 0 "[ . 1 . 2]" 1
1221 1 107 PHE HA 1 109 MET H 4.500 . 4.800 4.453 4.247 4.697 . 0 0 "[ . 1 . 2]" 1
1222 1 107 PHE QD 1 109 MET H 6.500 . 6.500 6.060 5.810 6.249 . 0 0 "[ . 1 . 2]" 1
1223 1 107 PHE HB2 1 109 MET H 5.400 . 5.700 5.215 4.979 5.319 . 0 0 "[ . 1 . 2]" 1
1224 1 108 ALA HA 1 109 MET H 3.600 . 3.900 3.545 3.519 3.562 . 0 0 "[ . 1 . 2]" 1
1225 1 108 ALA MB 1 109 MET H 2.500 . 2.800 2.534 2.390 2.677 . 0 0 "[ . 1 . 2]" 1
1226 1 110 GLY H 1 110 GLY QA 2.300 . 2.600 2.194 2.191 2.204 . 0 0 "[ . 1 . 2]" 1
1227 1 110 GLY H 1 111 LYS HB2 4.400 . 4.700 4.916 4.680 5.059 0.359 17 0 "[ . 1 . 2]" 1
1228 1 110 GLY H 1 111 LYS H 2.600 . 2.900 2.777 2.685 2.841 . 0 0 "[ . 1 . 2]" 1
1229 1 110 GLY H 1 112 ILE H 4.400 . 4.700 4.330 4.055 4.493 . 0 0 "[ . 1 . 2]" 1
1230 1 110 GLY H 1 112 ILE MD 6.000 . 6.300 5.246 4.578 5.957 . 0 0 "[ . 1 . 2]" 1
1231 1 110 GLY H 1 113 ASP HB2 4.900 . 5.200 5.475 5.061 5.798 0.598 16 1 "[ . 1 .+ 2]" 1
1232 1 110 GLY H 1 114 ALA H 6.100 . 6.400 6.479 6.082 6.510 0.110 17 0 "[ . 1 . 2]" 1
1233 1 106 LYS QD 1 110 GLY H 6.500 . 6.500 5.189 3.773 6.221 . 0 0 "[ . 1 . 2]" 1
1234 1 107 PHE HA 1 110 GLY H 3.400 . 3.700 3.559 3.386 3.707 0.007 15 0 "[ . 1 . 2]" 1
1235 1 107 PHE HB2 1 110 GLY H 5.600 . 5.900 5.762 5.606 5.884 . 0 0 "[ . 1 . 2]" 1
1236 1 107 PHE QD 1 110 GLY H 5.000 . 5.300 5.755 5.591 5.884 0.584 6 6 "[ * .+* *1- * 2]" 1
1237 1 108 ALA HA 1 110 GLY H 4.400 . 4.700 4.487 4.239 4.583 . 0 0 "[ . 1 . 2]" 1
1238 1 108 ALA MB 1 110 GLY H 4.900 . 5.200 4.579 4.436 4.684 . 0 0 "[ . 1 . 2]" 1
1239 1 108 ALA H 1 110 GLY H 4.100 . 4.400 4.302 4.161 4.414 0.014 1 0 "[ . 1 . 2]" 1
1240 1 109 MET HB2 1 110 GLY H 3.100 . 3.400 3.599 3.320 3.829 0.429 20 0 "[ . 1 . 2]" 1
1241 1 109 MET QG 1 110 GLY H 5.000 . 5.300 3.998 3.644 4.288 . 0 0 "[ . 1 . 2]" 1
1242 1 109 MET HB3 1 110 GLY H 3.100 . 3.400 2.552 2.473 2.729 . 0 0 "[ . 1 . 2]" 1
1243 1 111 LYS H 1 111 LYS HB3 3.100 . 3.400 2.748 2.539 3.016 . 0 0 "[ . 1 . 2]" 1
1244 1 111 LYS H 1 111 LYS QG 4.500 . 4.800 3.915 3.727 4.039 . 0 0 "[ . 1 . 2]" 1
1245 1 111 LYS H 1 112 ILE H 2.900 . 3.200 2.739 2.547 2.868 . 0 0 "[ . 1 . 2]" 1
1246 1 111 LYS H 1 112 ILE HB 5.100 . 5.400 4.993 4.876 5.093 . 0 0 "[ . 1 . 2]" 1
1247 1 111 LYS H 1 112 ILE HA 5.400 . 5.700 5.324 5.155 5.428 . 0 0 "[ . 1 . 2]" 1
1248 1 111 LYS H 1 113 ASP H 4.300 . 4.600 4.324 4.099 4.545 . 0 0 "[ . 1 . 2]" 1
1249 1 107 PHE QD 1 111 LYS H 4.900 . 5.200 5.881 5.415 6.244 1.044 7 17 "[******+*** *****- *2]" 1
1250 1 107 PHE HA 1 111 LYS H 4.000 . 4.300 4.516 4.164 4.606 0.306 3 0 "[ . 1 . 2]" 1
1251 1 108 ALA H 1 111 LYS H 4.700 . 5.000 4.989 4.860 5.123 0.123 3 0 "[ . 1 . 2]" 1
1252 1 108 ALA HA 1 111 LYS H 3.500 . 3.800 3.573 3.421 3.669 . 0 0 "[ . 1 . 2]" 1
1253 1 110 GLY QA 1 111 LYS H 2.800 . 3.100 2.708 2.627 2.776 . 0 0 "[ . 1 . 2]" 1
1254 1 111 LYS HA 1 111 LYS HB2 2.700 . 3.000 2.563 2.459 2.684 . 0 0 "[ . 1 . 2]" 1
1255 1 111 LYS HA 1 111 LYS QG 3.600 . 3.900 2.340 2.097 2.973 . 0 0 "[ . 1 . 2]" 1
1256 1 111 LYS HA 1 112 ILE HB 5.900 . 6.200 5.831 5.772 5.883 . 0 0 "[ . 1 . 2]" 1
1257 1 112 ILE H 1 112 ILE HA 2.800 . 3.100 2.789 2.772 2.845 . 0 0 "[ . 1 . 2]" 1
1258 1 112 ILE H 1 112 ILE MD 3.700 . 4.000 3.295 2.809 3.547 . 0 0 "[ . 1 . 2]" 1
1259 1 112 ILE H 1 113 ASP H 2.700 . 3.000 2.776 2.673 2.862 . 0 0 "[ . 1 . 2]" 1
1260 1 111 LYS HB3 1 112 ILE H 2.600 . 2.900 2.575 2.431 2.902 0.002 15 0 "[ . 1 . 2]" 1
1261 1 113 ASP H 1 113 ASP HA 2.800 . 3.100 2.789 2.761 2.812 . 0 0 "[ . 1 . 2]" 1
1262 1 113 ASP H 1 113 ASP HB2 2.100 . 2.400 2.301 2.111 2.472 0.072 20 0 "[ . 1 . 2]" 1
1263 1 113 ASP H 1 114 ALA MB 4.800 . 5.100 4.384 4.323 4.463 . 0 0 "[ . 1 . 2]" 1
1264 1 113 ASP H 1 114 ALA H 2.800 . 3.100 2.803 2.760 2.845 . 0 0 "[ . 1 . 2]" 1
1265 1 109 MET HA 1 113 ASP H 4.500 . 4.800 4.651 4.567 4.710 . 0 0 "[ . 1 . 2]" 1
1266 1 110 GLY QA 1 113 ASP H 3.400 . 3.700 3.451 3.313 3.707 0.007 16 0 "[ . 1 . 2]" 1
1267 1 112 ILE HA 1 113 ASP H 3.600 . 3.900 3.547 3.520 3.563 . 0 0 "[ . 1 . 2]" 1
1268 1 112 ILE HB 1 113 ASP H 2.500 . 2.800 2.509 2.365 2.702 . 0 0 "[ . 1 . 2]" 1
1269 1 112 ILE MD 1 113 ASP H 4.700 . 5.000 4.381 4.080 4.510 . 0 0 "[ . 1 . 2]" 1
1270 1 113 ASP HA 1 114 ALA HA 4.800 . 5.100 4.794 4.739 4.836 . 0 0 "[ . 1 . 2]" 1
1271 1 114 ALA H 1 114 ALA HA 2.800 . 3.100 2.802 2.773 2.839 . 0 0 "[ . 1 . 2]" 1
1272 1 114 ALA H 1 114 ALA MB 2.200 . 2.500 2.105 2.025 2.235 . 0 0 "[ . 1 . 2]" 1
1273 1 114 ALA H 1 115 TYR HB3 6.200 . 6.500 4.820 4.666 4.996 . 0 0 "[ . 1 . 2]" 1
1274 1 114 ALA H 1 115 TYR H 2.800 . 3.100 2.705 2.555 2.817 . 0 0 "[ . 1 . 2]" 1
1275 1 112 ILE HA 1 114 ALA H 4.400 . 4.700 4.598 4.293 4.840 0.140 15 0 "[ . 1 . 2]" 1
1276 1 113 ASP HA 1 114 ALA H 3.500 . 3.800 3.555 3.532 3.562 . 0 0 "[ . 1 . 2]" 1
1277 1 113 ASP HB2 1 114 ALA H 3.100 . 3.400 2.602 2.411 2.805 . 0 0 "[ . 1 . 2]" 1
1278 1 113 ASP HB3 1 114 ALA H 2.900 . 3.200 3.249 2.890 3.500 0.300 20 0 "[ . 1 . 2]" 1
1279 1 114 ALA MB 1 115 TYR HB3 5.700 . 6.000 4.728 4.588 4.947 . 0 0 "[ . 1 . 2]" 1
1280 1 114 ALA MB 1 117 SER HB2 4.000 . 4.300 3.832 3.450 4.293 . 0 0 "[ . 1 . 2]" 1
1281 1 114 ALA MB 1 118 GLN HE22 4.600 . 4.900 2.795 2.342 2.920 . 0 0 "[ . 1 . 2]" 1
1282 1 115 TYR H 1 115 TYR HA 2.800 . 3.100 2.756 2.741 2.759 . 0 0 "[ . 1 . 2]" 1
1283 1 115 TYR H 1 115 TYR HB2 2.300 . 2.600 2.579 2.413 2.711 0.111 18 0 "[ . 1 . 2]" 1
1284 1 115 TYR H 1 115 TYR HB3 3.600 . 3.900 2.489 2.372 2.659 . 0 0 "[ . 1 . 2]" 1
1285 1 115 TYR H 1 115 TYR QD 3.400 . 3.700 4.183 4.141 4.199 0.499 4 0 "[ . 1 . 2]" 1
1286 1 115 TYR H 1 116 ILE HB 5.100 . 5.400 5.133 5.087 5.193 . 0 0 "[ . 1 . 2]" 1
1287 1 112 ILE HA 1 115 TYR H 3.500 . 3.800 3.514 3.319 3.776 . 0 0 "[ . 1 . 2]" 1
1288 1 113 ASP HB3 1 115 TYR H 5.200 . 5.500 5.377 5.095 5.573 0.073 10 0 "[ . 1 . 2]" 1
1289 1 113 ASP HA 1 115 TYR H 4.500 . 4.800 4.433 4.343 4.525 . 0 0 "[ . 1 . 2]" 1
1290 1 113 ASP H 1 115 TYR H 4.300 . 4.600 4.147 3.936 4.351 . 0 0 "[ . 1 . 2]" 1
1291 1 114 ALA MB 1 115 TYR H 2.600 . 2.900 2.645 2.523 2.785 . 0 0 "[ . 1 . 2]" 1
1292 1 116 ILE H 1 116 ILE HA 2.800 . 3.100 2.816 2.786 2.842 . 0 0 "[ . 1 . 2]" 1
1293 1 116 ILE H 1 116 ILE HB 2.600 . 2.900 2.580 2.549 2.629 . 0 0 "[ . 1 . 2]" 1
1294 1 116 ILE H 1 117 SER H 2.600 . 2.900 2.645 2.560 2.730 . 0 0 "[ . 1 . 2]" 1
1295 1 116 ILE H 1 118 GLN HG3 6.000 . 6.300 6.317 5.756 6.505 0.205 11 0 "[ . 1 . 2]" 1
1296 1 113 ASP HA 1 116 ILE H 3.600 . 3.900 3.763 3.598 4.001 0.101 5 0 "[ . 1 . 2]" 1
1297 1 113 ASP H 1 116 ILE H 5.100 . 5.400 5.119 5.034 5.240 . 0 0 "[ . 1 . 2]" 1
1298 1 114 ALA MB 1 116 ILE H 5.000 . 5.300 4.641 4.458 4.784 . 0 0 "[ . 1 . 2]" 1
1299 1 115 TYR HA 1 116 ILE H 3.500 . 3.800 3.552 3.530 3.564 . 0 0 "[ . 1 . 2]" 1
1300 1 115 TYR HB3 1 116 ILE H 3.400 . 3.700 2.508 2.328 2.687 . 0 0 "[ . 1 . 2]" 1
1301 1 115 TYR H 1 116 ILE H 2.800 . 3.100 2.874 2.803 2.953 . 0 0 "[ . 1 . 2]" 1
1302 1 115 TYR QD 1 116 ILE H 4.900 . 5.200 3.734 3.174 3.912 . 0 0 "[ . 1 . 2]" 1
1303 1 117 SER H 1 117 SER HA 2.800 . 3.100 2.811 2.779 2.853 . 0 0 "[ . 1 . 2]" 1
1304 1 117 SER H 1 117 SER HB2 2.200 . 2.500 2.152 2.071 2.336 . 0 0 "[ . 1 . 2]" 1
1305 1 117 SER H 1 118 GLN H 2.700 . 3.000 2.646 2.521 2.767 . 0 0 "[ . 1 . 2]" 1
1306 1 113 ASP HA 1 117 SER H 4.500 . 4.800 4.705 4.578 4.771 . 0 0 "[ . 1 . 2]" 1
1307 1 113 ASP H 1 117 SER H 6.400 . 6.500 6.481 6.353 6.521 0.021 4 0 "[ . 1 . 2]" 1
1308 1 113 ASP HB3 1 117 SER H 5.200 . 5.500 5.371 5.224 5.521 0.021 15 0 "[ . 1 . 2]" 1
1309 1 115 TYR QD 1 117 SER H 6.500 . 6.500 5.525 5.267 5.746 . 0 0 "[ . 1 . 2]" 1
1310 1 116 ILE HA 1 117 SER H 3.500 . 3.800 3.523 3.516 3.547 . 0 0 "[ . 1 . 2]" 1
1311 1 116 ILE HB 1 117 SER H 2.700 . 3.000 2.686 2.529 2.733 . 0 0 "[ . 1 . 2]" 1
1312 1 116 ILE MG 1 117 SER H 4.100 . 4.400 3.596 3.445 3.686 . 0 0 "[ . 1 . 2]" 1
1313 1 118 GLN H 1 118 GLN HA 2.900 . 3.200 2.944 2.939 2.947 . 0 0 "[ . 1 . 2]" 1
1314 1 118 GLN H 1 118 GLN QB 3.200 . 3.500 2.990 2.865 3.110 . 0 0 "[ . 1 . 2]" 1
1315 1 118 GLN H 1 118 GLN HG2 2.000 . 2.300 1.955 1.929 2.059 . 0 0 "[ . 1 . 2]" 1
1316 1 115 TYR HB3 1 118 GLN H 5.400 . 5.700 5.554 5.363 5.706 0.006 10 0 "[ . 1 . 2]" 1
1317 1 115 TYR QD 1 118 GLN H 5.500 . 5.800 4.876 4.392 5.422 . 0 0 "[ . 1 . 2]" 1
1318 1 116 ILE HA 1 118 GLN H 4.100 . 4.400 4.128 3.723 4.404 0.004 11 0 "[ . 1 . 2]" 1
1319 1 116 ILE HB 1 118 GLN H 5.000 . 5.300 4.982 4.776 5.148 . 0 0 "[ . 1 . 2]" 1
1320 1 116 ILE H 1 118 GLN H 4.200 . 4.500 4.127 3.938 4.301 . 0 0 "[ . 1 . 2]" 1
1321 1 8 LEU HB2 1 118 GLN HE21 4.700 . 5.000 5.068 4.611 5.251 0.251 15 0 "[ . 1 . 2]" 1
1322 1 115 TYR QD 1 118 GLN HE21 6.500 . 6.500 6.285 5.780 6.511 0.011 18 0 "[ . 1 . 2]" 1
1323 1 118 GLN QB 1 118 GLN HE21 2.000 . 2.300 2.065 1.914 2.178 . 0 0 "[ . 1 . 2]" 1
1324 1 118 GLN HE21 1 118 GLN HG2 2.700 . 3.000 2.698 2.640 2.752 . 0 0 "[ . 1 . 2]" 1
1325 1 118 GLN QB 1 118 GLN HE22 3.400 . 3.700 3.201 3.190 3.247 . 0 0 "[ . 1 . 2]" 1
1326 1 118 GLN HE22 1 118 GLN HG2 3.700 . 4.000 3.677 3.651 3.702 . 0 0 "[ . 1 . 2]" 1
1327 1 115 TYR QD 1 119 LYS H 6.500 . 6.500 6.152 5.245 6.517 0.017 9 0 "[ . 1 . 2]" 1
1328 1 116 ILE HA 1 119 LYS H 3.800 . 4.100 4.794 4.411 5.236 1.136 18 14 "[- **. ******* *+**]" 1
1329 1 118 GLN HA 1 119 LYS H 2.700 . 3.000 2.416 2.220 2.653 . 0 0 "[ . 1 . 2]" 1
1330 1 118 GLN QB 1 119 LYS H 4.400 . 4.700 3.901 3.700 4.029 . 0 0 "[ . 1 . 2]" 1
1331 1 118 GLN HG2 1 119 LYS H 4.400 . 4.700 4.500 4.246 4.674 . 0 0 "[ . 1 . 2]" 1
1332 1 118 GLN HG3 1 119 LYS H 4.600 . 4.900 5.246 4.879 5.494 0.594 8 4 "[ . + *- . * 2]" 1
1333 1 119 LYS H 1 119 LYS HB2 2.700 . 3.000 2.773 2.237 3.635 0.635 20 1 "[ . 1 . +]" 1
1334 1 119 LYS H 1 120 VAL H 2.400 . 2.700 2.008 1.854 2.221 . 0 0 "[ . 1 . 2]" 1
1335 1 120 VAL H 1 120 VAL HA 2.900 . 3.200 2.863 2.831 2.918 . 0 0 "[ . 1 . 2]" 1
1336 1 120 VAL H 1 120 VAL HB 2.600 . 2.900 2.594 2.344 2.889 . 0 0 "[ . 1 . 2]" 1
1337 1 120 VAL H 1 120 VAL QG 2.600 . 2.900 2.091 1.888 2.399 . 0 0 "[ . 1 . 2]" 1
1338 1 116 ILE HA 1 120 VAL H 5.800 . 6.100 6.355 5.945 6.510 0.410 15 0 "[ . 1 . 2]" 1
1339 1 119 LYS HB2 1 120 VAL H 3.900 . 4.200 3.673 2.514 4.397 0.197 4 0 "[ . 1 . 2]" 1
1340 1 121 GLY H 1 121 GLY QA 2.300 . 2.600 2.362 2.189 2.503 . 0 0 "[ . 1 . 2]" 1
1341 1 121 GLY H 1 123 LEU QB 5.300 . 5.600 5.144 4.433 5.880 0.280 12 0 "[ . 1 . 2]" 1
1342 1 119 LYS HB2 1 121 GLY H 5.600 . 5.900 5.422 4.572 5.999 0.099 5 0 "[ . 1 . 2]" 1
1343 1 119 LYS H 1 121 GLY H 3.700 . 4.000 3.525 2.821 3.885 . 0 0 "[ . 1 . 2]" 1
1344 1 120 VAL HB 1 121 GLY H 2.900 . 3.200 3.850 2.739 4.249 1.049 18 16 "[-***.****1 ***.**+**]" 1
1345 1 120 VAL QG 1 121 GLY H 4.200 . 4.500 2.502 1.987 3.214 . 0 0 "[ . 1 . 2]" 1
1346 1 122 GLY H 1 122 GLY QA 2.400 . 2.700 2.453 2.393 2.502 . 0 0 "[ . 1 . 2]" 1
1347 1 122 GLY H 1 123 LEU QB 4.200 . 4.500 3.864 3.201 4.472 . 0 0 "[ . 1 . 2]" 1
1348 1 119 LYS HB2 1 122 GLY H 6.300 . 6.500 6.195 5.906 6.515 0.015 20 0 "[ . 1 . 2]" 1
1349 1 119 LYS H 1 122 GLY H 5.200 . 5.500 4.907 4.465 5.230 . 0 0 "[ . 1 . 2]" 1
1350 1 120 VAL HB 1 122 GLY H 4.900 . 5.200 5.914 4.891 6.514 1.314 2 13 "[*+-*.****1 ***.* *]" 1
1351 1 120 VAL QG 1 122 GLY H 5.200 . 5.500 4.198 3.637 5.016 . 0 0 "[ . 1 . 2]" 1
1352 1 123 LEU H 1 123 LEU HA 2.900 . 3.200 2.894 2.783 2.948 . 0 0 "[ . 1 . 2]" 1
1353 1 123 LEU H 1 123 LEU QB 2.500 . 2.800 2.522 2.131 2.962 0.162 10 0 "[ . 1 . 2]" 1
1354 1 123 LEU H 1 124 GLU H 2.000 . 2.300 2.071 1.859 2.330 0.030 18 0 "[ . 1 . 2]" 1
1355 1 122 GLY QA 1 123 LEU H 3.100 . 3.400 2.792 2.523 2.920 . 0 0 "[ . 1 . 2]" 1
1356 1 122 GLY H 1 123 LEU H 2.000 . 2.300 1.963 1.863 2.345 0.045 15 0 "[ . 1 . 2]" 1
1357 1 6 GLN QE 1 123 LEU H 5.200 . 5.500 3.824 3.224 4.355 . 0 0 "[ . 1 . 2]" 1
1358 1 7 LEU MD2 1 123 LEU QD 2.000 . 2.300 2.182 1.937 2.313 0.013 10 0 "[ . 1 . 2]" 1
1359 1 8 LEU HB3 1 123 LEU QD 4.800 . 5.100 3.947 2.579 5.205 0.105 7 0 "[ . 1 . 2]" 1
1360 1 70 ASP HB3 1 123 LEU QD 5.600 . 5.900 4.711 4.250 5.154 . 0 0 "[ . 1 . 2]" 1
1361 1 123 LEU QB 1 123 LEU QD 2.300 . 2.600 1.904 1.815 2.060 . 0 0 "[ . 1 . 2]" 1
1362 1 118 GLN QB 1 123 LEU QD 5.200 . 5.500 3.157 1.940 4.210 . 0 0 "[ . 1 . 2]" 1
1363 1 118 GLN HA 1 123 LEU QD 6.500 . 6.500 4.974 4.187 5.827 . 0 0 "[ . 1 . 2]" 1
1364 1 3 GLN HA 1 123 LEU QD 5.600 . 5.900 4.186 3.558 4.901 . 0 0 "[ . 1 . 2]" 1
1365 1 3 GLN HB2 1 123 LEU QD 4.200 . 4.500 2.902 1.901 4.167 . 0 0 "[ . 1 . 2]" 1
1366 1 123 LEU HA 1 123 LEU QD 2.300 . 2.600 2.163 1.850 2.324 . 0 0 "[ . 1 . 2]" 1
1367 1 7 LEU MD1 1 123 LEU QD 2.000 . 2.300 2.127 1.823 2.347 0.047 15 0 "[ . 1 . 2]" 1
1368 1 123 LEU HA 1 124 GLU H 3.500 . 3.800 3.487 3.381 3.569 . 0 0 "[ . 1 . 2]" 1
1369 1 123 LEU QB 1 124 GLU H 3.000 . 3.300 2.786 2.204 3.116 . 0 0 "[ . 1 . 2]" 1
1370 1 123 LEU QD 1 124 GLU H 4.300 . 4.600 4.092 3.703 4.364 . 0 0 "[ . 1 . 2]" 1
1371 1 119 LYS HB2 1 124 GLU H 4.600 . 4.900 4.867 4.027 5.803 0.903 10 2 "[ - . + . 2]" 1
1372 1 8 LEU HB2 1 124 GLU H 6.400 . 6.500 6.134 5.625 6.280 . 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 86
_Distance_constraint_stats_list.Viol_count 328
_Distance_constraint_stats_list.Viol_total 109.078
_Distance_constraint_stats_list.Viol_max 0.092
_Distance_constraint_stats_list.Viol_rms 0.0101
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0032
_Distance_constraint_stats_list.Viol_average_violations_only 0.0166
_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 11 ARG 0.105 0.033 11 0 "[ . 1 . 2]"
1 13 GLU 0.778 0.074 20 0 "[ . 1 . 2]"
1 15 VAL 0.105 0.033 11 0 "[ . 1 . 2]"
1 16 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 LEU 1.310 0.074 20 0 "[ . 1 . 2]"
1 19 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 21 LEU 0.532 0.052 19 0 "[ . 1 . 2]"
1 54 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 55 LEU 0.289 0.077 19 0 "[ . 1 . 2]"
1 56 ALA 0.177 0.055 19 0 "[ . 1 . 2]"
1 57 THR 0.094 0.029 19 0 "[ . 1 . 2]"
1 58 ALA 0.281 0.034 12 0 "[ . 1 . 2]"
1 59 ALA 0.289 0.077 19 0 "[ . 1 . 2]"
1 60 ASP 0.177 0.055 19 0 "[ . 1 . 2]"
1 61 ARG 0.094 0.029 19 0 "[ . 1 . 2]"
1 62 ALA 0.829 0.092 13 0 "[ . 1 . 2]"
1 64 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 66 ALA 0.548 0.092 13 0 "[ . 1 . 2]"
1 73 LEU 0.013 0.005 15 0 "[ . 1 . 2]"
1 74 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 75 THR 0.381 0.062 9 0 "[ . 1 . 2]"
1 76 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 77 LYS 0.338 0.084 4 0 "[ . 1 . 2]"
1 78 GLU 0.106 0.035 6 0 "[ . 1 . 2]"
1 79 ASP 0.397 0.062 9 0 "[ . 1 . 2]"
1 80 ILE 0.171 0.051 12 0 "[ . 1 . 2]"
1 81 ARG 0.335 0.084 4 0 "[ . 1 . 2]"
1 82 LEU 0.139 0.035 6 0 "[ . 1 . 2]"
1 83 MET 0.015 0.005 1 0 "[ . 1 . 2]"
1 84 VAL 0.220 0.051 12 0 "[ . 1 . 2]"
1 85 ASN 0.122 0.074 18 0 "[ . 1 . 2]"
1 86 ASN 0.033 0.012 15 0 "[ . 1 . 2]"
1 87 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 88 ILE 0.049 0.035 18 0 "[ . 1 . 2]"
1 89 LEU 0.113 0.074 18 0 "[ . 1 . 2]"
1 90 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 97 TYR 0.143 0.062 12 0 "[ . 1 . 2]"
1 98 ALA 0.093 0.010 7 0 "[ . 1 . 2]"
1 100 ALA 0.095 0.012 18 0 "[ . 1 . 2]"
1 101 ALA 0.143 0.062 12 0 "[ . 1 . 2]"
1 102 ARG 0.278 0.020 15 0 "[ . 1 . 2]"
1 103 THR 0.016 0.005 19 0 "[ . 1 . 2]"
1 104 PHE 0.347 0.035 17 0 "[ . 1 . 2]"
1 105 GLU 0.011 0.009 12 0 "[ . 1 . 2]"
1 106 LYS 0.190 0.020 15 0 "[ . 1 . 2]"
1 107 PHE 0.018 0.005 19 0 "[ . 1 . 2]"
1 108 ALA 0.525 0.035 18 0 "[ . 1 . 2]"
1 109 MET 0.096 0.018 18 0 "[ . 1 . 2]"
1 110 GLY 0.010 0.005 16 0 "[ . 1 . 2]"
1 111 LYS 0.002 0.001 19 0 "[ . 1 . 2]"
1 112 ILE 0.418 0.037 18 0 "[ . 1 . 2]"
1 113 ASP 0.203 0.043 15 0 "[ . 1 . 2]"
1 114 ALA 0.010 0.005 3 0 "[ . 1 . 2]"
1 115 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 116 ILE 0.145 0.037 18 0 "[ . 1 . 2]"
1 117 SER 0.118 0.043 15 0 "[ . 1 . 2]"
1 118 GLN 0.005 0.005 3 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 11 ARG O 1 15 VAL H 2.000 . 2.400 2.327 2.124 2.433 0.033 11 0 "[ . 1 . 2]" 2
2 1 11 ARG O 1 15 VAL N 3.000 2.600 3.400 3.263 3.097 3.351 . 0 0 "[ . 1 . 2]" 2
3 1 13 GLU O 1 17 LEU H 2.000 . 2.400 2.439 2.406 2.474 0.074 20 0 "[ . 1 . 2]" 2
4 1 13 GLU O 1 17 LEU N 3.000 2.600 3.400 3.344 3.311 3.373 . 0 0 "[ . 1 . 2]" 2
5 1 15 VAL O 1 19 ARG H 2.000 . 2.400 2.018 1.851 2.249 . 0 0 "[ . 1 . 2]" 2
6 1 15 VAL O 1 19 ARG N 3.000 2.600 3.400 2.845 2.742 3.183 . 0 0 "[ . 1 . 2]" 2
7 1 17 LEU O 1 21 LEU H 2.000 . 2.400 2.426 2.380 2.452 0.052 19 0 "[ . 1 . 2]" 2
8 1 17 LEU O 1 21 LEU N 3.000 2.600 3.400 3.282 3.235 3.334 . 0 0 "[ . 1 . 2]" 2
9 1 54 ASP O 1 58 ALA H 2.000 . 2.400 2.040 1.790 2.225 . 0 0 "[ . 1 . 2]" 2
10 1 54 ASP O 1 58 ALA N 3.000 2.600 3.400 2.981 2.733 3.201 . 0 0 "[ . 1 . 2]" 2
11 1 55 LEU O 1 59 ALA H 2.000 . 2.400 2.105 1.827 2.477 0.077 19 0 "[ . 1 . 2]" 2
12 1 55 LEU O 1 59 ALA N 3.000 2.600 3.400 3.005 2.742 3.351 . 0 0 "[ . 1 . 2]" 2
13 1 56 ALA O 1 60 ASP H 2.000 . 2.400 2.348 1.979 2.455 0.055 19 0 "[ . 1 . 2]" 2
14 1 56 ALA O 1 60 ASP N 3.000 2.600 3.400 3.150 2.736 3.329 . 0 0 "[ . 1 . 2]" 2
15 1 57 THR O 1 61 ARG H 2.000 . 2.400 2.270 1.921 2.429 0.029 19 0 "[ . 1 . 2]" 2
16 1 57 THR O 1 61 ARG N 3.000 2.600 3.400 3.175 2.823 3.343 . 0 0 "[ . 1 . 2]" 2
17 1 58 ALA O 1 62 ALA H 2.000 . 2.400 2.395 2.178 2.434 0.034 12 0 "[ . 1 . 2]" 2
18 1 58 ALA O 1 62 ALA N 3.000 2.600 3.400 3.315 3.105 3.388 . 0 0 "[ . 1 . 2]" 2
19 1 62 ALA O 1 66 ALA H 2.000 . 2.400 2.415 2.233 2.492 0.092 13 0 "[ . 1 . 2]" 2
20 1 62 ALA O 1 66 ALA N 3.000 2.600 3.400 3.172 3.008 3.285 . 0 0 "[ . 1 . 2]" 2
21 1 73 LEU O 1 77 LYS H 2.000 . 2.400 2.211 1.968 2.405 0.005 15 0 "[ . 1 . 2]" 2
22 1 73 LEU O 1 77 LYS N 3.000 2.600 3.400 3.141 2.898 3.324 . 0 0 "[ . 1 . 2]" 2
23 1 74 THR O 1 78 GLU H 2.000 . 2.400 1.892 1.846 1.941 . 0 0 "[ . 1 . 2]" 2
24 1 74 THR O 1 78 GLU N 3.000 2.600 3.400 2.743 2.732 2.753 . 0 0 "[ . 1 . 2]" 2
25 1 75 THR O 1 79 ASP H 2.000 . 2.400 2.412 2.317 2.462 0.062 9 0 "[ . 1 . 2]" 2
26 1 75 THR O 1 79 ASP N 3.000 2.600 3.400 3.174 3.027 3.300 . 0 0 "[ . 1 . 2]" 2
27 1 76 LEU O 1 80 ILE H 2.000 . 2.400 1.975 1.778 2.212 . 0 0 "[ . 1 . 2]" 2
28 1 76 LEU O 1 80 ILE N 3.000 2.600 3.400 2.934 2.727 3.180 . 0 0 "[ . 1 . 2]" 2
29 1 77 LYS O 1 81 ARG H 2.000 . 2.400 2.401 2.252 2.484 0.084 4 0 "[ . 1 . 2]" 2
30 1 77 LYS O 1 81 ARG N 3.000 2.600 3.400 3.304 3.123 3.372 . 0 0 "[ . 1 . 2]" 2
31 1 78 GLU O 1 82 LEU H 2.000 . 2.400 2.312 2.074 2.435 0.035 6 0 "[ . 1 . 2]" 2
32 1 78 GLU O 1 82 LEU N 3.000 2.600 3.400 3.085 2.916 3.183 . 0 0 "[ . 1 . 2]" 2
33 1 79 ASP O 1 83 MET H 2.000 . 2.400 2.106 1.870 2.405 0.005 1 0 "[ . 1 . 2]" 2
34 1 79 ASP O 1 83 MET N 3.000 2.600 3.400 3.027 2.805 3.313 . 0 0 "[ . 1 . 2]" 2
35 1 80 ILE O 1 84 VAL H 2.000 . 2.400 2.287 1.983 2.451 0.051 12 0 "[ . 1 . 2]" 2
36 1 80 ILE O 1 84 VAL N 3.000 2.600 3.400 3.259 2.954 3.429 0.029 12 0 "[ . 1 . 2]" 2
37 1 81 ARG O 1 85 ASN H 2.000 . 2.400 2.249 2.008 2.410 0.010 8 0 "[ . 1 . 2]" 2
38 1 81 ARG O 1 85 ASN N 3.000 2.600 3.400 3.077 2.800 3.222 . 0 0 "[ . 1 . 2]" 2
39 1 85 ASN O 1 89 LEU H 2.000 . 2.400 2.337 1.960 2.474 0.074 18 0 "[ . 1 . 2]" 2
40 1 85 ASN O 1 89 LEU N 3.000 2.600 3.400 3.169 2.887 3.279 . 0 0 "[ . 1 . 2]" 2
41 1 100 ALA O 1 104 PHE H 2.000 . 2.400 2.388 2.205 2.412 0.012 18 0 "[ . 1 . 2]" 2
42 1 100 ALA O 1 104 PHE N 3.000 2.600 3.400 3.250 3.028 3.302 . 0 0 "[ . 1 . 2]" 2
43 1 101 ALA O 1 105 GLU H 2.000 . 2.400 2.119 1.942 2.334 . 0 0 "[ . 1 . 2]" 2
44 1 101 ALA O 1 105 GLU N 3.000 2.600 3.400 3.087 2.913 3.303 . 0 0 "[ . 1 . 2]" 2
45 1 102 ARG O 1 106 LYS H 2.000 . 2.400 2.358 1.852 2.420 0.020 15 0 "[ . 1 . 2]" 2
46 1 102 ARG O 1 106 LYS N 3.000 2.600 3.400 3.294 2.756 3.372 . 0 0 "[ . 1 . 2]" 2
47 1 104 PHE O 1 108 ALA H 2.000 . 2.400 2.413 2.403 2.435 0.035 17 0 "[ . 1 . 2]" 2
48 1 104 PHE O 1 108 ALA N 3.000 2.600 3.400 3.353 3.328 3.396 . 0 0 "[ . 1 . 2]" 2
49 1 105 GLU O 1 109 MET H 2.000 . 2.400 2.221 1.941 2.409 0.009 12 0 "[ . 1 . 2]" 2
50 1 105 GLU O 1 109 MET N 3.000 2.600 3.400 3.150 2.912 3.350 . 0 0 "[ . 1 . 2]" 2
51 1 107 PHE O 1 111 LYS H 2.000 . 2.400 2.304 2.064 2.401 0.001 19 0 "[ . 1 . 2]" 2
52 1 107 PHE O 1 111 LYS N 3.000 2.600 3.400 3.214 3.018 3.369 . 0 0 "[ . 1 . 2]" 2
53 1 108 ALA O 1 112 ILE H 2.000 . 2.400 2.414 2.403 2.435 0.035 18 0 "[ . 1 . 2]" 2
54 1 108 ALA O 1 112 ILE N 3.000 2.600 3.400 3.329 3.228 3.375 . 0 0 "[ . 1 . 2]" 2
55 1 109 MET O 1 113 ASP H 2.000 . 2.400 2.397 2.343 2.418 0.018 18 0 "[ . 1 . 2]" 2
56 1 109 MET O 1 113 ASP N 3.000 2.600 3.400 3.329 3.259 3.362 . 0 0 "[ . 1 . 2]" 2
57 1 110 GLY O 1 114 ALA H 2.000 . 2.400 2.266 1.919 2.405 0.005 16 0 "[ . 1 . 2]" 2
58 1 110 GLY O 1 114 ALA N 3.000 2.600 3.400 3.219 2.884 3.375 . 0 0 "[ . 1 . 2]" 2
59 1 111 LYS O 1 115 TYR H 2.000 . 2.400 2.046 1.821 2.353 . 0 0 "[ . 1 . 2]" 2
60 1 111 LYS O 1 115 TYR N 3.000 2.600 3.400 2.964 2.748 3.249 . 0 0 "[ . 1 . 2]" 2
61 1 112 ILE O 1 116 ILE H 2.000 . 2.400 2.399 2.261 2.437 0.037 18 0 "[ . 1 . 2]" 2
62 1 112 ILE O 1 116 ILE N 3.000 2.600 3.400 3.326 3.219 3.365 . 0 0 "[ . 1 . 2]" 2
63 1 82 LEU O 1 86 ASN H 2.000 . 2.400 2.278 2.049 2.412 0.012 15 0 "[ . 1 . 2]" 2
64 1 82 LEU O 1 86 ASN N 3.000 2.600 3.400 3.224 2.986 3.365 . 0 0 "[ . 1 . 2]" 2
65 1 16 SER O 1 20 SER H 2.000 . 2.400 2.011 1.884 2.336 . 0 0 "[ . 1 . 2]" 2
66 1 16 SER O 1 20 SER N 3.000 2.600 3.400 2.850 2.736 3.100 . 0 0 "[ . 1 . 2]" 2
67 1 60 ASP O 1 64 LYS H 2.000 . 2.400 1.966 1.850 2.305 . 0 0 "[ . 1 . 2]" 2
68 1 60 ASP O 1 64 LYS N 3.000 2.600 3.400 2.811 2.740 3.076 . 0 0 "[ . 1 . 2]" 2
69 1 84 VAL O 1 88 ILE H 2.000 . 2.400 2.322 2.089 2.435 0.035 18 0 "[ . 1 . 2]" 2
70 1 84 VAL O 1 88 ILE N 3.000 2.600 3.400 3.279 3.012 3.365 . 0 0 "[ . 1 . 2]" 2
71 1 86 ASN O 1 90 PHE H 2.000 . 2.400 1.936 1.806 2.037 . 0 0 "[ . 1 . 2]" 2
72 1 86 ASN O 1 90 PHE N 3.000 2.600 3.400 2.739 2.692 2.819 . 0 0 "[ . 1 . 2]" 2
73 1 97 TYR O 1 101 ALA H 2.000 . 2.400 2.334 2.177 2.462 0.062 12 0 "[ . 1 . 2]" 2
74 1 97 TYR O 1 101 ALA N 3.000 2.600 3.400 3.166 2.996 3.307 . 0 0 "[ . 1 . 2]" 2
75 1 98 ALA O 1 102 ARG H 2.000 . 2.400 2.341 1.794 2.410 0.010 7 0 "[ . 1 . 2]" 2
76 1 98 ALA O 1 102 ARG N 3.000 2.600 3.400 3.171 2.733 3.268 . 0 0 "[ . 1 . 2]" 2
77 1 103 THR O 1 107 PHE H 2.000 . 2.400 2.272 1.818 2.405 0.005 19 0 "[ . 1 . 2]" 2
78 1 103 THR O 1 107 PHE N 3.000 2.600 3.400 3.194 2.748 3.351 . 0 0 "[ . 1 . 2]" 2
79 1 106 LYS O 1 110 GLY H 2.000 . 2.400 2.125 1.797 2.403 0.003 1 0 "[ . 1 . 2]" 2
80 1 106 LYS O 1 110 GLY N 3.000 2.600 3.400 3.063 2.752 3.326 . 0 0 "[ . 1 . 2]" 2
81 1 113 ASP O 1 117 SER H 2.000 . 2.400 2.385 2.297 2.443 0.043 15 0 "[ . 1 . 2]" 2
82 1 113 ASP O 1 117 SER N 3.000 2.600 3.400 3.289 3.202 3.353 . 0 0 "[ . 1 . 2]" 2
83 1 114 ALA O 1 118 GLN H 2.000 . 2.400 2.166 1.811 2.405 0.005 3 0 "[ . 1 . 2]" 2
84 1 114 ALA O 1 118 GLN N 3.000 2.600 3.400 3.002 2.741 3.146 . 0 0 "[ . 1 . 2]" 2
85 1 83 MET O 1 87 CYS H 2.000 . 2.400 2.008 1.955 2.123 . 0 0 "[ . 1 . 2]" 2
86 1 83 MET O 1 87 CYS N 3.000 2.600 3.400 2.791 2.737 3.005 . 0 0 "[ . 1 . 2]" 2
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