![]() |
NMR Restraints Grid |
![]() |
Result table
(Save to zip file containing files for each block)
image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | program | type | subtype | subsubtype |
![]() |
377758 |
1gh5 ![]() ![]() |
4833 | cing | recoord | 4-filtered-FRED | Wattos | check | violation | distance |
data_1gh5 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 1057 _Distance_constraint_stats_list.Viol_count 70 _Distance_constraint_stats_list.Viol_total 14.374 _Distance_constraint_stats_list.Viol_max 1.057 _Distance_constraint_stats_list.Viol_rms 0.0758 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0136 _Distance_constraint_stats_list.Viol_average_violations_only 0.2053 _Distance_constraint_stats_list.Cutoff_violation_report 0.500 _Distance_constraint_stats_list.Details ; Description of the tags in this list: * 1 * Administrative tag * 2 * Administrative tag * 3 * Administrative tag * 4 * ID of the restraint list. * 5 * Number of restraints in list. * 6 * Number of violated restraints (each model violation is used). * 7 * Sum of violations in Angstrom. * 8 * Maximum violation of a restraint without averaging in any way. * 9 * Rms of violations over all restraints. * 10 * Average violation over all restraints. * 11 * Average violation over violated restraints. This violation is averaged over only those models in which the restraint is violated. These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998). * 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table. * 13 * This tag Description of the tags in the per residue table below: * 1 * Chain identifier (can be absent if none defined) * 2 * Residue number * 3 * Residue name * 4 * Maximum violation in ensemble of models (without any averaging) * 5 * Model number with the maximum violation * 6 * Number of models with a violation above cutoff * 7 * List of models (1 character per model) with a violation above cutoff. An '*' marks a violation above the cutoff. A '+' indicates the largest violation above the cutoff and a '-' marks the smallest violation over cutoff. For models 5, 15, 25,... a ' ' is replaced by a '.'. For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1. * 8 * Administrative tag * 9 * Administrative tag Description of the tags in the per restraint table below: * 1 * Restraint ID within restraint list. First node, FIRST member, first atom's: * 2 * Chain identifier (can be absent if none defined) * 3 * Residue number * 4 * Residue name * 5 * Name of (pseudo-)atom First node, SECOND member, first atom's: * 6 * Chain identifier (can be absent if none defined) * 7 * Residue number * 8 * Residue name * 9 * Name of (pseudo-)atom FIRST node's: * 10 * Target distance value (Angstrom) * 11 * Lower bound distance (Angstrom) * 12 * Upper bound distance (Angstrom) * 13 * Average distance in ensemble of models * 14 * Minimum distance in ensemble of models * 15 * Maximum distance in ensemble of models * 16 * Maximum violation (without any averaging) * 17 * Model number with the maximum violation * 18 * Number of models with a violation above cutoff * 19 * List of models with a violation above cutoff. See description above. * 20 * Administrative tag * 21 * Administrative tag ; loop_ _Distance_constraint_stats_per_res.Atom_entity_assembly_ID _Distance_constraint_stats_per_res.Atom_comp_index_ID _Distance_constraint_stats_per_res.Atom_comp_ID _Distance_constraint_stats_per_res.Total_violation _Distance_constraint_stats_per_res.Max_violation _Distance_constraint_stats_per_res.Max_violation_model_number _Distance_constraint_stats_per_res.Over_cutoff_viol_count _Distance_constraint_stats_per_res.Over_cutoff_viol_per_model 1 1 MET 0.000 0.000 . 0 "[ ]" 1 2 ILE 0.654 0.654 1 1 [+] 1 3 ASN 0.000 0.000 . 0 "[ ]" 1 4 ARG 0.434 0.223 1 0 "[ ]" 1 5 THR 0.009 0.009 1 0 "[ ]" 1 7 CYS 0.408 0.247 1 0 "[ ]" 1 8 ASN 0.009 0.009 1 0 "[ ]" 1 9 GLU 0.000 0.000 . 0 "[ ]" 1 11 SER 1.192 0.752 1 1 [+] 1 12 TYR 0.000 0.000 . 0 "[ ]" 1 13 LEU 0.556 0.307 1 0 "[ ]" 1 14 GLU 0.143 0.104 1 0 "[ ]" 1 15 ILE 0.000 0.000 . 0 "[ ]" 1 16 HIS 0.039 0.039 1 0 "[ ]" 1 17 ASN 0.426 0.226 1 0 "[ ]" 1 18 ASN 0.006 0.006 1 0 "[ ]" 1 19 GLU 0.000 0.000 . 0 "[ ]" 1 20 GLY 0.000 0.000 . 0 "[ ]" 1 21 ARG 0.000 0.000 . 0 "[ ]" 1 22 ASP 0.290 0.138 1 0 "[ ]" 1 23 THR 0.317 0.226 1 0 "[ ]" 1 24 LEU 0.352 0.352 1 0 "[ ]" 1 25 CYS 0.408 0.247 1 0 "[ ]" 1 26 PHE 1.120 0.352 1 0 "[ ]" 1 27 ALA 0.223 0.223 1 0 "[ ]" 1 28 ASN 0.665 0.654 1 1 [+] 1 29 ALA 0.096 0.085 1 0 "[ ]" 1 30 GLY 0.972 0.530 1 1 [+] 1 31 THR 0.000 0.000 . 0 "[ ]" 1 32 MET 0.128 0.087 1 0 "[ ]" 1 33 PRO 0.000 0.000 . 0 "[ ]" 1 34 VAL 0.048 0.048 1 0 "[ ]" 1 35 ALA 0.000 0.000 . 0 "[ ]" 1 36 ILE 0.399 0.399 1 0 "[ ]" 1 37 TYR 0.000 0.000 . 0 "[ ]" 1 38 GLY 2.085 1.057 1 1 [+] 1 39 VAL 0.192 0.192 1 0 "[ ]" 1 40 ASN 0.000 0.000 . 0 "[ ]" 1 41 TRP 0.039 0.039 1 0 "[ ]" 1 42 VAL 0.425 0.222 1 0 "[ ]" 1 43 GLU 0.143 0.104 1 0 "[ ]" 1 44 SER 0.452 0.203 1 0 "[ ]" 1 45 GLY 0.076 0.051 1 0 "[ ]" 1 46 ASN 0.000 0.000 . 0 "[ ]" 1 47 ASN 0.481 0.292 1 0 "[ ]" 1 48 VAL 0.319 0.209 1 0 "[ ]" 1 49 VAL 0.261 0.193 1 0 "[ ]" 1 50 THR 0.689 0.689 1 1 [+] 1 51 LEU 0.163 0.085 1 0 "[ ]" 1 52 GLN 0.772 0.501 1 1 [+] 1 53 PHE 0.694 0.212 1 0 "[ ]" 1 54 GLN 0.968 0.405 1 0 "[ ]" 1 55 ARG 0.304 0.304 1 0 "[ ]" 1 56 ASN 0.000 0.000 . 0 "[ ]" 1 57 LEU 0.099 0.065 1 0 "[ ]" 1 58 SER 0.000 0.000 . 0 "[ ]" 1 59 ASP 0.070 0.070 1 0 "[ ]" 1 60 PRO 0.000 0.000 . 0 "[ ]" 1 61 ARG 0.070 0.070 1 0 "[ ]" 1 62 LEU 0.271 0.271 1 0 "[ ]" 1 63 GLU 0.691 0.212 1 0 "[ ]" 1 64 THR 0.000 0.000 . 0 "[ ]" 1 65 ILE 0.103 0.085 1 0 "[ ]" 1 66 THR 0.097 0.079 1 0 "[ ]" 1 67 LEU 0.459 0.198 1 0 "[ ]" 1 68 GLN 0.000 0.000 . 0 "[ ]" 1 69 LYS 0.236 0.236 1 0 "[ ]" 1 70 TRP 1.216 0.752 1 1 [+] 1 71 GLY 0.439 0.236 1 0 "[ ]" 1 72 SER 0.000 0.000 . 0 "[ ]" 1 73 TRP 0.425 0.222 1 0 "[ ]" 1 74 ASN 0.000 0.000 . 0 "[ ]" 1 75 PRO 0.000 0.000 . 0 "[ ]" 1 76 GLY 0.002 0.002 1 0 "[ ]" 1 77 HIS 0.274 0.274 1 0 "[ ]" 1 78 ILE 2.272 1.057 1 1 [+] 1 79 HIS 1.069 0.405 1 0 "[ ]" 1 80 GLU 0.548 0.346 1 0 "[ ]" 1 81 ILE 0.399 0.399 1 0 "[ ]" 1 82 LEU 0.048 0.048 1 0 "[ ]" 1 83 SER 0.501 0.501 1 1 [+] 1 84 ILE 0.128 0.087 1 0 "[ ]" 1 85 ARG 0.689 0.689 1 1 [+] 1 86 ILE 0.887 0.530 1 1 [+] 1 87 TYR 0.319 0.209 1 0 "[ ]" 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 1 MET HA 1 2 ILE H . . 3.300 2.173 2.173 2.173 . 0 0 "[ ]" 1 2 1 2 ILE H 1 30 GLY HA2 . . 5.000 3.987 3.987 3.987 . 0 0 "[ ]" 1 3 1 2 ILE H 1 30 GLY HA3 . . 3.300 2.848 2.848 2.848 . 0 0 "[ ]" 1 4 1 2 ILE HA 1 3 ASN H . . 2.900 2.202 2.202 2.202 . 0 0 "[ ]" 1 5 1 2 ILE HA 1 28 ASN HA . . 5.500 6.154 6.154 6.154 0.654 1 1 [+] 1 6 1 2 ILE HA 1 28 ASN QB . . 3.300 3.286 3.286 3.286 . 0 0 "[ ]" 1 7 1 2 ILE HB 1 3 ASN H . . 5.500 4.133 4.133 4.133 . 0 0 "[ ]" 1 8 1 2 ILE HB 1 30 GLY H . . 5.500 4.614 4.614 4.614 . 0 0 "[ ]" 1 9 1 2 ILE HB 1 30 GLY HA3 . . 5.000 2.927 2.927 2.927 . 0 0 "[ ]" 1 10 1 2 ILE HB 1 84 ILE MG . . 6.000 4.285 4.285 4.285 . 0 0 "[ ]" 1 11 1 2 ILE MG 1 3 ASN H . . 6.500 4.006 4.006 4.006 . 0 0 "[ ]" 1 12 1 2 ILE MG 1 30 GLY H . . 6.500 5.529 5.529 5.529 . 0 0 "[ ]" 1 13 1 2 ILE MG 1 30 GLY HA2 . . 6.000 4.477 4.477 4.477 . 0 0 "[ ]" 1 14 1 2 ILE MG 1 30 GLY HA3 . . 4.300 3.656 3.656 3.656 . 0 0 "[ ]" 1 15 1 2 ILE MG 1 32 MET HB2 . . 4.300 2.648 2.648 2.648 . 0 0 "[ ]" 1 16 1 2 ILE MG 1 32 MET HB3 . . 6.000 1.489 1.489 1.489 . 0 0 "[ ]" 1 17 1 2 ILE MG 1 32 MET QG . . 5.100 1.063 1.063 1.063 . 0 0 "[ ]" 1 18 1 2 ILE MG 1 32 MET ME . . 5.300 2.584 2.584 2.584 . 0 0 "[ ]" 1 19 1 2 ILE HG12 1 3 ASN H . . 5.500 3.102 3.102 3.102 . 0 0 "[ ]" 1 20 1 2 ILE HG13 1 3 ASN H . . 5.500 2.629 2.629 2.629 . 0 0 "[ ]" 1 21 1 2 ILE QG 1 3 ASN H . . 5.180 2.495 2.495 2.495 . 0 0 "[ ]" 1 22 1 2 ILE MD 1 26 PHE QD . . 6.500 2.772 2.772 2.772 . 0 0 "[ ]" 1 23 1 2 ILE MD 1 26 PHE QE . . 8.200 3.133 3.133 3.133 . 0 0 "[ ]" 1 24 1 2 ILE MD 1 30 GLY H . . 6.500 5.785 5.785 5.785 . 0 0 "[ ]" 1 25 1 2 ILE MD 1 32 MET H . . 4.300 2.149 2.149 2.149 . 0 0 "[ ]" 1 26 1 2 ILE MD 1 32 MET QB . . 7.300 3.335 3.335 3.335 . 0 0 "[ ]" 1 27 1 2 ILE MD 1 32 MET QG . . 7.300 1.736 1.736 1.736 . 0 0 "[ ]" 1 28 1 2 ILE MD 1 32 MET ME . . 7.500 1.895 1.895 1.895 . 0 0 "[ ]" 1 29 1 2 ILE MD 1 84 ILE HB . . 4.300 2.411 2.411 2.411 . 0 0 "[ ]" 1 30 1 2 ILE MD 1 84 ILE MG . . 4.700 2.069 2.069 2.069 . 0 0 "[ ]" 1 31 1 2 ILE MD 1 84 ILE MD . . 7.000 2.751 2.751 2.751 . 0 0 "[ ]" 1 32 1 2 ILE MD 1 85 ARG HA . . 6.000 4.442 4.442 4.442 . 0 0 "[ ]" 1 33 1 2 ILE MD 1 85 ARG QB . . 7.300 5.626 5.626 5.626 . 0 0 "[ ]" 1 34 1 2 ILE MD 1 86 ILE MG . . 7.000 4.991 4.991 4.991 . 0 0 "[ ]" 1 35 1 2 ILE MD 1 86 ILE QG . . 6.880 3.095 3.095 3.095 . 0 0 "[ ]" 1 36 1 2 ILE MD 1 86 ILE MD . . 5.300 2.757 2.757 2.757 . 0 0 "[ ]" 1 37 1 3 ASN H 1 27 ALA H . . 3.300 3.218 3.218 3.218 . 0 0 "[ ]" 1 38 1 3 ASN H 1 28 ASN QB . . 5.000 4.135 4.135 4.135 . 0 0 "[ ]" 1 39 1 3 ASN HA 1 4 ARG H . . 2.900 2.260 2.260 2.260 . 0 0 "[ ]" 1 40 1 3 ASN HA 1 32 MET ME . . 4.300 3.199 3.199 3.199 . 0 0 "[ ]" 1 41 1 3 ASN QB 1 32 MET ME . . 6.800 4.766 4.766 4.766 . 0 0 "[ ]" 1 42 1 4 ARG H 1 26 PHE QD . . 7.200 4.466 4.466 4.466 . 0 0 "[ ]" 1 43 1 4 ARG H 1 32 MET ME . . 6.000 3.462 3.462 3.462 . 0 0 "[ ]" 1 44 1 4 ARG HA 1 5 THR H . . 2.900 2.179 2.179 2.179 . 0 0 "[ ]" 1 45 1 4 ARG HA 1 26 PHE HA . . 3.300 3.511 3.511 3.511 0.211 1 0 "[ ]" 1 46 1 4 ARG HA 1 26 PHE QD . . 4.900 3.245 3.245 3.245 . 0 0 "[ ]" 1 47 1 4 ARG HA 1 26 PHE QE . . 5.500 3.327 3.327 3.327 . 0 0 "[ ]" 1 48 1 4 ARG HA 1 27 ALA H . . 5.000 5.223 5.223 5.223 0.223 1 0 "[ ]" 1 49 1 4 ARG QG 1 26 PHE QD . . 8.580 4.260 4.260 4.260 . 0 0 "[ ]" 1 50 1 4 ARG QG 1 32 MET ME . . 6.500 4.098 4.098 4.098 . 0 0 "[ ]" 1 51 1 4 ARG QD 1 24 LEU MD2 . . 4.500 2.245 2.245 2.245 . 0 0 "[ ]" 1 52 1 5 THR H 1 5 THR MG . . 3.700 2.065 2.065 2.065 . 0 0 "[ ]" 1 53 1 5 THR H 1 26 PHE HA . . 3.300 2.977 2.977 2.977 . 0 0 "[ ]" 1 54 1 5 THR H 1 26 PHE QD . . 7.200 4.272 4.272 4.272 . 0 0 "[ ]" 1 55 1 5 THR MG 1 8 ASN H . . 4.500 3.594 3.594 3.594 . 0 0 "[ ]" 1 56 1 5 THR MG 1 12 TYR QD . . 6.500 4.335 4.335 4.335 . 0 0 "[ ]" 1 57 1 5 THR MG 1 12 TYR QE . . 5.900 4.855 4.855 4.855 . 0 0 "[ ]" 1 58 1 5 THR MG 1 25 CYS HB2 . . 6.000 1.851 1.851 1.851 . 0 0 "[ ]" 1 59 1 5 THR MG 1 25 CYS HB3 . . 4.500 2.713 2.713 2.713 . 0 0 "[ ]" 1 60 1 5 THR MG 1 26 PHE HA . . 4.300 2.379 2.379 2.379 . 0 0 "[ ]" 1 61 1 5 THR MG 1 27 ALA H . . 4.300 3.207 3.207 3.207 . 0 0 "[ ]" 1 62 1 5 THR MG 1 27 ALA MB . . 4.700 2.379 2.379 2.379 . 0 0 "[ ]" 1 63 1 5 THR OG1 1 8 ASN ND2 . 2.700 3.200 2.691 2.691 2.691 0.009 1 0 "[ ]" 1 64 1 5 THR OG1 1 8 ASN HD21 . . 2.400 2.023 2.023 2.023 . 0 0 "[ ]" 1 65 1 5 THR O 1 7 CYS N . 2.700 3.200 3.169 3.169 3.169 . 0 0 "[ ]" 1 66 1 5 THR O 1 7 CYS H . . 2.400 2.382 2.382 2.382 . 0 0 "[ ]" 1 67 1 5 THR O 1 25 CYS N . 2.700 3.200 3.093 3.093 3.093 . 0 0 "[ ]" 1 68 1 5 THR O 1 25 CYS H . . 2.400 2.391 2.391 2.391 . 0 0 "[ ]" 1 69 1 7 CYS HA 1 8 ASN H . . 2.900 2.257 2.257 2.257 . 0 0 "[ ]" 1 70 1 7 CYS HA 1 12 TYR QD . . 5.500 3.905 3.905 3.905 . 0 0 "[ ]" 1 71 1 7 CYS HA 1 12 TYR QE . . 7.200 5.257 5.257 5.257 . 0 0 "[ ]" 1 72 1 7 CYS HA 1 25 CYS HB2 . . 5.000 3.259 3.259 3.259 . 0 0 "[ ]" 1 73 1 7 CYS CB 1 25 CYS SG . 3.000 3.100 3.261 3.261 3.261 0.161 1 0 "[ ]" 1 74 1 7 CYS HB2 1 8 ASN H . . 5.500 4.179 4.179 4.179 . 0 0 "[ ]" 1 75 1 7 CYS HB3 1 8 ASN H . . 5.500 4.199 4.199 4.199 . 0 0 "[ ]" 1 76 1 7 CYS QB 1 8 ASN H . . 5.180 3.732 3.732 3.732 . 0 0 "[ ]" 1 77 1 7 CYS QB 1 12 TYR QD . . 6.380 4.417 4.417 4.417 . 0 0 "[ ]" 1 78 1 7 CYS SG 1 25 CYS CB . 3.000 3.100 3.347 3.347 3.347 0.247 1 0 "[ ]" 1 79 1 7 CYS SG 1 25 CYS SG . . 2.100 2.068 2.068 2.068 . 0 0 "[ ]" 1 80 1 8 ASN H 1 8 ASN HD22 . . 3.300 2.659 2.659 2.659 . 0 0 "[ ]" 1 81 1 8 ASN H 1 12 TYR QD . . 7.200 4.193 4.193 4.193 . 0 0 "[ ]" 1 82 1 8 ASN H 1 12 TYR QE . . 5.500 4.445 4.445 4.445 . 0 0 "[ ]" 1 83 1 9 GLU QG 1 12 TYR QE . . 6.300 4.175 4.175 4.175 . 0 0 "[ ]" 1 84 1 11 SER HA 1 12 TYR H . . 3.300 2.517 2.517 2.517 . 0 0 "[ ]" 1 85 1 11 SER HA 1 45 GLY QA . . 5.800 1.713 1.713 1.713 . 0 0 "[ ]" 1 86 1 11 SER HA 1 46 ASN H . . 5.000 2.765 2.765 2.765 . 0 0 "[ ]" 1 87 1 11 SER HA 1 70 TRP HZ3 . . 3.300 3.095 3.095 3.095 . 0 0 "[ ]" 1 88 1 11 SER HA 1 70 TRP HZ2 . . 5.500 5.590 5.590 5.590 0.090 1 0 "[ ]" 1 89 1 11 SER HA 1 70 TRP HH2 . . 3.300 4.052 4.052 4.052 0.752 1 1 [+] 1 90 1 11 SER HB2 1 46 ASN H . . 5.000 2.221 2.221 2.221 . 0 0 "[ ]" 1 91 1 11 SER HB2 1 46 ASN HB2 . . 6.750 3.934 3.934 3.934 . 0 0 "[ ]" 1 92 1 11 SER HB2 1 46 ASN HB3 . . 6.750 2.839 2.839 2.839 . 0 0 "[ ]" 1 93 1 11 SER HB2 1 70 TRP HZ3 . . 5.000 4.159 4.159 4.159 . 0 0 "[ ]" 1 94 1 11 SER HB2 1 70 TRP HZ2 . . 5.000 4.537 4.537 4.537 . 0 0 "[ ]" 1 95 1 11 SER HB2 1 70 TRP HH2 . . 3.300 3.649 3.649 3.649 0.349 1 0 "[ ]" 1 96 1 11 SER HB3 1 46 ASN H . . 5.000 3.630 3.630 3.630 . 0 0 "[ ]" 1 97 1 11 SER HB3 1 46 ASN HB2 . . 6.750 5.035 5.035 5.035 . 0 0 "[ ]" 1 98 1 11 SER HB3 1 46 ASN HB3 . . 6.750 4.170 4.170 4.170 . 0 0 "[ ]" 1 99 1 11 SER HB3 1 70 TRP HZ3 . . 5.000 3.765 3.765 3.765 . 0 0 "[ ]" 1 100 1 11 SER HB3 1 70 TRP HZ2 . . 5.000 4.658 4.658 4.658 . 0 0 "[ ]" 1 101 1 11 SER HB3 1 70 TRP HH2 . . 3.300 2.980 2.980 2.980 . 0 0 "[ ]" 1 102 1 11 SER QB 1 46 ASN QB . . 5.810 2.727 2.727 2.727 . 0 0 "[ ]" 1 103 1 12 TYR H 1 12 TYR HB2 . . 3.300 2.727 2.727 2.727 . 0 0 "[ ]" 1 104 1 12 TYR HA 1 13 LEU H . . 2.900 2.564 2.564 2.564 . 0 0 "[ ]" 1 105 1 12 TYR HA 1 27 ALA MB . . 6.500 4.957 4.957 4.957 . 0 0 "[ ]" 1 106 1 12 TYR HA 1 47 ASN HD21 . . 5.000 4.254 4.254 4.254 . 0 0 "[ ]" 1 107 1 12 TYR HA 1 47 ASN HD22 . . 3.300 2.909 2.909 2.909 . 0 0 "[ ]" 1 108 1 12 TYR HB2 1 13 LEU H . . 5.000 3.625 3.625 3.625 . 0 0 "[ ]" 1 109 1 12 TYR HB3 1 13 LEU H . . 3.300 2.188 2.188 2.188 . 0 0 "[ ]" 1 110 1 12 TYR QD 1 13 LEU H . . 7.700 3.123 3.123 3.123 . 0 0 "[ ]" 1 111 1 12 TYR QD 1 13 LEU HB2 . . 7.700 5.550 5.550 5.550 . 0 0 "[ ]" 1 112 1 12 TYR QD 1 13 LEU HB3 . . 7.700 4.788 4.788 4.788 . 0 0 "[ ]" 1 113 1 12 TYR QD 1 25 CYS HB2 . . 7.200 5.972 5.972 5.972 . 0 0 "[ ]" 1 114 1 12 TYR QD 1 25 CYS HB3 . . 5.500 4.898 4.898 4.898 . 0 0 "[ ]" 1 115 1 12 TYR QD 1 27 ALA HA . . 7.700 2.639 2.639 2.639 . 0 0 "[ ]" 1 116 1 12 TYR QD 1 27 ALA MB . . 5.900 3.170 3.170 3.170 . 0 0 "[ ]" 1 117 1 12 TYR QE 1 25 CYS HB2 . . 7.700 7.355 7.355 7.355 . 0 0 "[ ]" 1 118 1 12 TYR QE 1 25 CYS HB3 . . 7.700 6.627 6.627 6.627 . 0 0 "[ ]" 1 119 1 12 TYR QE 1 27 ALA MB . . 6.500 2.616 2.616 2.616 . 0 0 "[ ]" 1 120 1 12 TYR O 1 45 GLY N . 2.700 3.200 2.984 2.984 2.984 . 0 0 "[ ]" 1 121 1 12 TYR O 1 45 GLY H . . 2.400 1.976 1.976 1.976 . 0 0 "[ ]" 1 122 1 13 LEU N 1 26 PHE O . 2.700 3.200 3.507 3.507 3.507 0.307 1 0 "[ ]" 1 123 1 13 LEU H 1 13 LEU HB2 . . 3.300 3.064 3.064 3.064 . 0 0 "[ ]" 1 124 1 13 LEU H 1 13 LEU HB3 . . 3.300 2.224 2.224 2.224 . 0 0 "[ ]" 1 125 1 13 LEU H 1 13 LEU MD2 . . 4.800 4.024 4.024 4.024 . 0 0 "[ ]" 1 126 1 13 LEU H 1 26 PHE H . . 5.000 3.735 3.735 3.735 . 0 0 "[ ]" 1 127 1 13 LEU H 1 26 PHE O . . 2.400 2.650 2.650 2.650 0.250 1 0 "[ ]" 1 128 1 13 LEU HA 1 13 LEU MD1 . . 4.300 2.578 2.578 2.578 . 0 0 "[ ]" 1 129 1 13 LEU HA 1 14 GLU H . . 2.900 2.176 2.176 2.176 . 0 0 "[ ]" 1 130 1 13 LEU HA 1 44 SER HA . . 3.300 2.529 2.529 2.529 . 0 0 "[ ]" 1 131 1 13 LEU MD1 1 14 GLU H . . 3.700 2.512 2.512 2.512 . 0 0 "[ ]" 1 132 1 13 LEU MD1 1 26 PHE QD . . 6.500 4.184 4.184 4.184 . 0 0 "[ ]" 1 133 1 13 LEU MD1 1 42 VAL MG1 . . 5.300 1.978 1.978 1.978 . 0 0 "[ ]" 1 134 1 13 LEU MD1 1 42 VAL MG2 . . 7.000 3.489 3.489 3.489 . 0 0 "[ ]" 1 135 1 13 LEU MD1 1 44 SER HA . . 3.900 3.423 3.423 3.423 . 0 0 "[ ]" 1 136 1 13 LEU MD1 1 44 SER HB2 . . 6.000 4.943 4.943 4.943 . 0 0 "[ ]" 1 137 1 13 LEU MD1 1 44 SER HB3 . . 6.000 3.921 3.921 3.921 . 0 0 "[ ]" 1 138 1 13 LEU MD1 1 49 VAL QG . . 5.900 2.478 2.478 2.478 . 0 0 "[ ]" 1 139 1 13 LEU MD2 1 14 GLU H . . 6.500 4.451 4.451 4.451 . 0 0 "[ ]" 1 140 1 13 LEU MD2 1 27 ALA H . . 6.500 5.367 5.367 5.367 . 0 0 "[ ]" 1 141 1 13 LEU MD2 1 42 VAL MG1 . . 7.500 3.809 3.809 3.809 . 0 0 "[ ]" 1 142 1 13 LEU MD2 1 49 VAL QG . . 6.500 1.944 1.944 1.944 . 0 0 "[ ]" 1 143 1 13 LEU QD 1 49 VAL QG . . 7.100 1.877 1.877 1.877 . 0 0 "[ ]" 1 144 1 13 LEU O 1 26 PHE N . 2.700 3.200 2.798 2.798 2.798 . 0 0 "[ ]" 1 145 1 13 LEU O 1 26 PHE H . . 2.400 1.813 1.813 1.813 . 0 0 "[ ]" 1 146 1 14 GLU N 1 43 GLU O . 2.700 3.200 3.196 3.196 3.196 . 0 0 "[ ]" 1 147 1 14 GLU H 1 14 GLU HB2 . . 3.300 2.818 2.818 2.818 . 0 0 "[ ]" 1 148 1 14 GLU H 1 43 GLU H . . 5.000 2.636 2.636 2.636 . 0 0 "[ ]" 1 149 1 14 GLU H 1 43 GLU O . . 2.400 2.229 2.229 2.229 . 0 0 "[ ]" 1 150 1 14 GLU H 1 44 SER HA . . 5.000 3.895 3.895 3.895 . 0 0 "[ ]" 1 151 1 14 GLU HA 1 15 ILE H . . 2.900 2.256 2.256 2.256 . 0 0 "[ ]" 1 152 1 14 GLU HA 1 23 THR MG . . 6.000 3.782 3.782 3.782 . 0 0 "[ ]" 1 153 1 14 GLU HA 1 25 CYS HA . . 3.300 2.281 2.281 2.281 . 0 0 "[ ]" 1 154 1 14 GLU HA 1 26 PHE H . . 5.500 3.306 3.306 3.306 . 0 0 "[ ]" 1 155 1 14 GLU HB2 1 16 HIS HD2 . . 5.000 4.346 4.346 4.346 . 0 0 "[ ]" 1 156 1 14 GLU HB2 1 23 THR MG . . 4.300 3.757 3.757 3.757 . 0 0 "[ ]" 1 157 1 14 GLU HB3 1 16 HIS HD2 . . 5.000 4.821 4.821 4.821 . 0 0 "[ ]" 1 158 1 14 GLU HB3 1 23 THR MG . . 4.300 2.628 2.628 2.628 . 0 0 "[ ]" 1 159 1 14 GLU QG 1 23 THR MG . . 6.880 3.805 3.805 3.805 . 0 0 "[ ]" 1 160 1 14 GLU O 1 43 GLU N . 2.700 3.200 2.596 2.596 2.596 0.104 1 0 "[ ]" 1 161 1 14 GLU O 1 43 GLU H . . 2.400 1.661 1.661 1.661 0.039 1 0 "[ ]" 1 162 1 15 ILE N 1 24 LEU O . 2.700 3.200 2.944 2.944 2.944 . 0 0 "[ ]" 1 163 1 15 ILE H 1 15 ILE HB . . 3.300 2.703 2.703 2.703 . 0 0 "[ ]" 1 164 1 15 ILE H 1 15 ILE QG . . 4.180 2.979 2.979 2.979 . 0 0 "[ ]" 1 165 1 15 ILE H 1 23 THR MG . . 6.000 2.931 2.931 2.931 . 0 0 "[ ]" 1 166 1 15 ILE H 1 24 LEU H . . 5.000 2.317 2.317 2.317 . 0 0 "[ ]" 1 167 1 15 ILE H 1 24 LEU O . . 2.400 2.068 2.068 2.068 . 0 0 "[ ]" 1 168 1 15 ILE H 1 25 CYS HA . . 5.000 3.801 3.801 3.801 . 0 0 "[ ]" 1 169 1 15 ILE HA 1 16 HIS H . . 2.900 2.162 2.162 2.162 . 0 0 "[ ]" 1 170 1 15 ILE HA 1 16 HIS HD2 . . 5.000 3.491 3.491 3.491 . 0 0 "[ ]" 1 171 1 15 ILE HA 1 42 VAL HA . . 5.000 2.365 2.365 2.365 . 0 0 "[ ]" 1 172 1 15 ILE HA 1 42 VAL MG1 . . 6.000 3.353 3.353 3.353 . 0 0 "[ ]" 1 173 1 15 ILE HA 1 42 VAL MG2 . . 4.300 1.769 1.769 1.769 . 0 0 "[ ]" 1 174 1 15 ILE HA 1 43 GLU H . . 5.000 3.505 3.505 3.505 . 0 0 "[ ]" 1 175 1 15 ILE HB 1 24 LEU H . . 5.500 3.500 3.500 3.500 . 0 0 "[ ]" 1 176 1 15 ILE HB 1 24 LEU HB2 . . 5.000 2.818 2.818 2.818 . 0 0 "[ ]" 1 177 1 15 ILE HB 1 24 LEU HB3 . . 5.500 4.583 4.583 4.583 . 0 0 "[ ]" 1 178 1 15 ILE HB 1 24 LEU HG . . 5.000 4.533 4.533 4.533 . 0 0 "[ ]" 1 179 1 15 ILE MG 1 24 LEU MD1 . . 7.000 2.663 2.663 2.663 . 0 0 "[ ]" 1 180 1 15 ILE MG 1 36 ILE MG . . 5.300 1.717 1.717 1.717 . 0 0 "[ ]" 1 181 1 15 ILE MG 1 36 ILE MD . . 7.000 2.248 2.248 2.248 . 0 0 "[ ]" 1 182 1 15 ILE MG 1 39 VAL MG1 . . 5.300 2.483 2.483 2.483 . 0 0 "[ ]" 1 183 1 15 ILE MG 1 39 VAL MG2 . . 4.700 2.957 2.957 2.957 . 0 0 "[ ]" 1 184 1 15 ILE MG 1 42 VAL MG2 . . 5.300 1.925 1.925 1.925 . 0 0 "[ ]" 1 185 1 15 ILE HG12 1 42 VAL QG . . 7.700 1.572 1.572 1.572 . 0 0 "[ ]" 1 186 1 15 ILE HG13 1 42 VAL QG . . 7.700 2.433 2.433 2.433 . 0 0 "[ ]" 1 187 1 15 ILE QG 1 42 VAL QG . . 7.400 1.554 1.554 1.554 . 0 0 "[ ]" 1 188 1 15 ILE MD 1 24 LEU MD1 . . 5.300 3.203 3.203 3.203 . 0 0 "[ ]" 1 189 1 15 ILE MD 1 36 ILE MG . . 7.500 3.416 3.416 3.416 . 0 0 "[ ]" 1 190 1 15 ILE MD 1 36 ILE MD . . 5.300 1.696 1.696 1.696 . 0 0 "[ ]" 1 191 1 15 ILE MD 1 39 VAL MG2 . . 7.000 4.395 4.395 4.395 . 0 0 "[ ]" 1 192 1 15 ILE MD 1 42 VAL MG1 . . 5.300 3.211 3.211 3.211 . 0 0 "[ ]" 1 193 1 15 ILE MD 1 42 VAL MG2 . . 5.300 2.949 2.949 2.949 . 0 0 "[ ]" 1 194 1 15 ILE MD 1 51 LEU MD1 . . 7.000 1.986 1.986 1.986 . 0 0 "[ ]" 1 195 1 15 ILE MD 1 51 LEU MD2 . . 5.300 2.208 2.208 2.208 . 0 0 "[ ]" 1 196 1 15 ILE MD 1 84 ILE MG . . 7.000 3.647 3.647 3.647 . 0 0 "[ ]" 1 197 1 15 ILE MD 1 84 ILE MD . . 5.300 2.130 2.130 2.130 . 0 0 "[ ]" 1 198 1 15 ILE O 1 24 LEU N . 2.700 3.200 2.778 2.778 2.778 . 0 0 "[ ]" 1 199 1 15 ILE O 1 24 LEU H . . 2.400 1.950 1.950 1.950 . 0 0 "[ ]" 1 200 1 16 HIS N 1 41 TRP O . 2.700 3.200 3.239 3.239 3.239 0.039 1 0 "[ ]" 1 201 1 16 HIS H 1 16 HIS HD2 . . 3.300 2.381 2.381 2.381 . 0 0 "[ ]" 1 202 1 16 HIS H 1 17 ASN H . . 5.500 4.090 4.090 4.090 . 0 0 "[ ]" 1 203 1 16 HIS H 1 41 TRP H . . 5.500 3.657 3.657 3.657 . 0 0 "[ ]" 1 204 1 16 HIS H 1 41 TRP O . . 2.400 2.237 2.237 2.237 . 0 0 "[ ]" 1 205 1 16 HIS H 1 42 VAL HA . . 3.300 3.188 3.188 3.188 . 0 0 "[ ]" 1 206 1 16 HIS HA 1 17 ASN H . . 3.300 2.201 2.201 2.201 . 0 0 "[ ]" 1 207 1 16 HIS HA 1 23 THR HA . . 3.300 2.052 2.052 2.052 . 0 0 "[ ]" 1 208 1 16 HIS HA 1 24 LEU H . . 5.500 3.682 3.682 3.682 . 0 0 "[ ]" 1 209 1 16 HIS HD2 1 23 THR MG . . 6.000 3.824 3.824 3.824 . 0 0 "[ ]" 1 210 1 16 HIS HD2 1 41 TRP HD1 . . 5.500 2.650 2.650 2.650 . 0 0 "[ ]" 1 211 1 16 HIS HD2 1 41 TRP HE1 . . 5.000 4.700 4.700 4.700 . 0 0 "[ ]" 1 212 1 16 HIS HD2 1 42 VAL HA . . 3.300 3.118 3.118 3.118 . 0 0 "[ ]" 1 213 1 16 HIS HD2 1 43 GLU H . . 5.000 4.018 4.018 4.018 . 0 0 "[ ]" 1 214 1 16 HIS HD2 1 43 GLU HG2 . . 5.500 3.769 3.769 3.769 . 0 0 "[ ]" 1 215 1 16 HIS HD2 1 43 GLU HG3 . . 5.500 3.406 3.406 3.406 . 0 0 "[ ]" 1 216 1 16 HIS HE1 1 40 ASN HB2 . . 5.000 3.478 3.478 3.478 . 0 0 "[ ]" 1 217 1 16 HIS HE1 1 40 ASN HB3 . . 5.000 3.278 3.278 3.278 . 0 0 "[ ]" 1 218 1 16 HIS HE1 1 40 ASN QB . . 4.140 3.001 3.001 3.001 . 0 0 "[ ]" 1 219 1 16 HIS HE1 1 41 TRP HA . . 5.000 4.562 4.562 4.562 . 0 0 "[ ]" 1 220 1 16 HIS HE1 1 41 TRP HB2 . . 5.000 2.889 2.889 2.889 . 0 0 "[ ]" 1 221 1 16 HIS HE1 1 41 TRP HB3 . . 5.000 1.761 1.761 1.761 . 0 0 "[ ]" 1 222 1 17 ASN N 1 22 ASP O . 2.700 3.200 3.338 3.338 3.338 0.138 1 0 "[ ]" 1 223 1 17 ASN H 1 17 ASN HB3 . . 3.300 2.960 2.960 2.960 . 0 0 "[ ]" 1 224 1 17 ASN H 1 22 ASP H . . 5.000 3.534 3.534 3.534 . 0 0 "[ ]" 1 225 1 17 ASN H 1 22 ASP HB2 . . 5.500 4.139 4.139 4.139 . 0 0 "[ ]" 1 226 1 17 ASN H 1 22 ASP O . . 2.400 2.462 2.462 2.462 0.062 1 0 "[ ]" 1 227 1 17 ASN H 1 23 THR HA . . 3.500 3.726 3.726 3.726 0.226 1 0 "[ ]" 1 228 1 17 ASN H 1 36 ILE QG . . 5.880 4.871 4.871 4.871 . 0 0 "[ ]" 1 229 1 17 ASN HA 1 18 ASN H . . 3.300 2.702 2.702 2.702 . 0 0 "[ ]" 1 230 1 17 ASN HA 1 20 GLY H . . 5.000 3.409 3.409 3.409 . 0 0 "[ ]" 1 231 1 17 ASN HA 1 39 VAL H . . 5.500 4.753 4.753 4.753 . 0 0 "[ ]" 1 232 1 17 ASN HA 1 39 VAL HA . . 3.300 2.635 2.635 2.635 . 0 0 "[ ]" 1 233 1 17 ASN HA 1 40 ASN H . . 3.300 2.333 2.333 2.333 . 0 0 "[ ]" 1 234 1 17 ASN HA 1 41 TRP H . . 5.000 3.965 3.965 3.965 . 0 0 "[ ]" 1 235 1 17 ASN HB2 1 18 ASN H . . 3.300 1.954 1.954 1.954 . 0 0 "[ ]" 1 236 1 17 ASN HB2 1 39 VAL HA . . 5.500 3.271 3.271 3.271 . 0 0 "[ ]" 1 237 1 17 ASN HB2 1 39 VAL MG1 . . 6.000 4.929 4.929 4.929 . 0 0 "[ ]" 1 238 1 17 ASN HB2 1 39 VAL MG2 . . 6.000 3.656 3.656 3.656 . 0 0 "[ ]" 1 239 1 17 ASN HB2 1 40 ASN H . . 5.500 4.313 4.313 4.313 . 0 0 "[ ]" 1 240 1 17 ASN HB3 1 18 ASN H . . 5.000 3.495 3.495 3.495 . 0 0 "[ ]" 1 241 1 17 ASN HB3 1 39 VAL HA . . 5.500 2.387 2.387 2.387 . 0 0 "[ ]" 1 242 1 17 ASN HB3 1 39 VAL MG1 . . 6.000 3.744 3.744 3.744 . 0 0 "[ ]" 1 243 1 17 ASN HB3 1 39 VAL MG2 . . 6.000 2.886 2.886 2.886 . 0 0 "[ ]" 1 244 1 17 ASN HB3 1 40 ASN H . . 5.000 3.790 3.790 3.790 . 0 0 "[ ]" 1 245 1 17 ASN HD21 1 18 ASN H . . 5.000 4.220 4.220 4.220 . 0 0 "[ ]" 1 246 1 17 ASN HD21 1 37 TYR H . . 5.000 2.204 2.204 2.204 . 0 0 "[ ]" 1 247 1 17 ASN HD21 1 39 VAL QG . . 7.200 3.747 3.747 3.747 . 0 0 "[ ]" 1 248 1 17 ASN HD22 1 18 ASN H . . 5.500 5.047 5.047 5.047 . 0 0 "[ ]" 1 249 1 17 ASN HD22 1 37 TYR H . . 5.000 2.890 2.890 2.890 . 0 0 "[ ]" 1 250 1 17 ASN HD22 1 39 VAL QG . . 7.200 4.972 4.972 4.972 . 0 0 "[ ]" 1 251 1 17 ASN O 1 21 ARG N . 2.700 3.200 2.798 2.798 2.798 . 0 0 "[ ]" 1 252 1 17 ASN O 1 21 ARG H . . 2.400 1.804 1.804 1.804 . 0 0 "[ ]" 1 253 1 18 ASN N 1 38 GLY O . 2.700 3.200 2.694 2.694 2.694 0.006 1 0 "[ ]" 1 254 1 18 ASN H 1 18 ASN HA . . 2.700 2.288 2.288 2.288 . 0 0 "[ ]" 1 255 1 18 ASN H 1 18 ASN QB . . 3.680 3.227 3.227 3.227 . 0 0 "[ ]" 1 256 1 18 ASN H 1 19 GLU H . . 5.000 2.660 2.660 2.660 . 0 0 "[ ]" 1 257 1 18 ASN H 1 38 GLY O . . 2.400 1.902 1.902 1.902 . 0 0 "[ ]" 1 258 1 18 ASN H 1 39 VAL HA . . 5.500 4.289 4.289 4.289 . 0 0 "[ ]" 1 259 1 18 ASN HA 1 19 GLU H . . 3.300 2.904 2.904 2.904 . 0 0 "[ ]" 1 260 1 18 ASN QB 1 22 ASP HB2 . . 6.380 3.738 3.738 3.738 . 0 0 "[ ]" 1 261 1 18 ASN QB 1 22 ASP HB3 . . 6.380 5.319 5.319 5.319 . 0 0 "[ ]" 1 262 1 18 ASN HD21 1 22 ASP HB2 . . 3.300 2.896 2.896 2.896 . 0 0 "[ ]" 1 263 1 18 ASN HD21 1 22 ASP HB3 . . 5.000 4.584 4.584 4.584 . 0 0 "[ ]" 1 264 1 19 GLU H 1 19 GLU HA . . 2.700 2.289 2.289 2.289 . 0 0 "[ ]" 1 265 1 19 GLU H 1 19 GLU HG2 . . 5.000 3.571 3.571 3.571 . 0 0 "[ ]" 1 266 1 19 GLU H 1 19 GLU HG3 . . 5.000 2.875 2.875 2.875 . 0 0 "[ ]" 1 267 1 19 GLU H 1 20 GLY H . . 5.000 2.576 2.576 2.576 . 0 0 "[ ]" 1 268 1 19 GLU H 1 40 ASN QD . . 5.000 2.468 2.468 2.468 . 0 0 "[ ]" 1 269 1 19 GLU HA 1 20 GLY H . . 3.300 2.949 2.949 2.949 . 0 0 "[ ]" 1 270 1 19 GLU HA 1 40 ASN QD . . 3.300 3.274 3.274 3.274 . 0 0 "[ ]" 1 271 1 19 GLU QG 1 40 ASN H . . 6.300 6.072 6.072 6.072 . 0 0 "[ ]" 1 272 1 19 GLU QG 1 40 ASN QD . . 5.800 2.996 2.996 2.996 . 0 0 "[ ]" 1 273 1 20 GLY H 1 21 ARG H . . 3.300 2.444 2.444 2.444 . 0 0 "[ ]" 1 274 1 20 GLY HA2 1 21 ARG H . . 3.300 2.804 2.804 2.804 . 0 0 "[ ]" 1 275 1 20 GLY HA2 1 22 ASP H . . 5.000 4.091 4.091 4.091 . 0 0 "[ ]" 1 276 1 21 ARG H 1 21 ARG HB2 . . 3.300 2.544 2.544 2.544 . 0 0 "[ ]" 1 277 1 21 ARG H 1 21 ARG HB3 . . 3.300 2.721 2.721 2.721 . 0 0 "[ ]" 1 278 1 21 ARG H 1 21 ARG QD . . 5.800 4.338 4.338 4.338 . 0 0 "[ ]" 1 279 1 21 ARG H 1 22 ASP H . . 2.900 2.236 2.236 2.236 . 0 0 "[ ]" 1 280 1 21 ARG QD 1 22 ASP H . . 4.100 3.588 3.588 3.588 . 0 0 "[ ]" 1 281 1 22 ASP HA 1 23 THR H . . 2.900 2.167 2.167 2.167 . 0 0 "[ ]" 1 282 1 22 ASP HB2 1 23 THR H . . 5.000 4.423 4.423 4.423 . 0 0 "[ ]" 1 283 1 22 ASP HB3 1 23 THR H . . 3.500 3.591 3.591 3.591 0.091 1 0 "[ ]" 1 284 1 23 THR HA 1 24 LEU H . . 2.900 2.281 2.281 2.281 . 0 0 "[ ]" 1 285 1 24 LEU H 1 24 LEU HB2 . . 3.300 2.915 2.915 2.915 . 0 0 "[ ]" 1 286 1 24 LEU HA 1 25 CYS H . . 2.900 2.163 2.163 2.163 . 0 0 "[ ]" 1 287 1 24 LEU HB2 1 25 CYS H . . 5.000 4.213 4.213 4.213 . 0 0 "[ ]" 1 288 1 24 LEU HB2 1 26 PHE QD . . 5.500 3.867 3.867 3.867 . 0 0 "[ ]" 1 289 1 24 LEU HB2 1 26 PHE QE . . 5.500 2.424 2.424 2.424 . 0 0 "[ ]" 1 290 1 24 LEU HB2 1 26 PHE HZ . . 3.300 3.652 3.652 3.652 0.352 1 0 "[ ]" 1 291 1 24 LEU HB3 1 25 CYS H . . 5.000 3.667 3.667 3.667 . 0 0 "[ ]" 1 292 1 24 LEU HB3 1 26 PHE HZ . . 3.300 3.272 3.272 3.272 . 0 0 "[ ]" 1 293 1 24 LEU QD 1 26 PHE QE . . 7.100 2.972 2.972 2.972 . 0 0 "[ ]" 1 294 1 24 LEU QD 1 26 PHE HZ . . 4.900 3.127 3.127 3.127 . 0 0 "[ ]" 1 295 1 25 CYS H 1 25 CYS HB2 . . 3.300 2.631 2.631 2.631 . 0 0 "[ ]" 1 296 1 25 CYS H 1 26 PHE QE . . 7.700 5.392 5.392 5.392 . 0 0 "[ ]" 1 297 1 25 CYS HA 1 26 PHE H . . 2.900 2.165 2.165 2.165 . 0 0 "[ ]" 1 298 1 25 CYS HA 1 26 PHE QD . . 5.500 3.964 3.964 3.964 . 0 0 "[ ]" 1 299 1 26 PHE HA 1 27 ALA H . . 2.900 2.332 2.332 2.332 . 0 0 "[ ]" 1 300 1 26 PHE HB2 1 27 ALA H . . 5.000 3.884 3.884 3.884 . 0 0 "[ ]" 1 301 1 26 PHE HB3 1 27 ALA H . . 3.300 2.708 2.708 2.708 . 0 0 "[ ]" 1 302 1 26 PHE QB 1 86 ILE MD . . 5.100 2.443 2.443 2.443 . 0 0 "[ ]" 1 303 1 26 PHE QD 1 27 ALA H . . 5.500 3.671 3.671 3.671 . 0 0 "[ ]" 1 304 1 26 PHE QD 1 32 MET ME . . 6.500 2.494 2.494 2.494 . 0 0 "[ ]" 1 305 1 26 PHE QD 1 84 ILE MD . . 6.500 2.765 2.765 2.765 . 0 0 "[ ]" 1 306 1 26 PHE QE 1 32 MET ME . . 5.900 1.859 1.859 1.859 . 0 0 "[ ]" 1 307 1 26 PHE QE 1 34 VAL MG1 . . 5.900 2.934 2.934 2.934 . 0 0 "[ ]" 1 308 1 26 PHE QE 1 36 ILE MD . . 6.500 2.773 2.773 2.773 . 0 0 "[ ]" 1 309 1 26 PHE QE 1 84 ILE MG . . 8.200 4.176 4.176 4.176 . 0 0 "[ ]" 1 310 1 26 PHE QE 1 84 ILE MD . . 6.500 2.403 2.403 2.403 . 0 0 "[ ]" 1 311 1 26 PHE HZ 1 32 MET ME . . 4.300 3.384 3.384 3.384 . 0 0 "[ ]" 1 312 1 26 PHE HZ 1 34 VAL MG1 . . 3.700 2.855 2.855 2.855 . 0 0 "[ ]" 1 313 1 26 PHE HZ 1 36 ILE MD . . 4.300 3.287 3.287 3.287 . 0 0 "[ ]" 1 314 1 26 PHE HZ 1 84 ILE MD . . 4.300 2.917 2.917 2.917 . 0 0 "[ ]" 1 315 1 27 ALA HA 1 28 ASN H . . 2.900 2.555 2.555 2.555 . 0 0 "[ ]" 1 316 1 27 ALA HA 1 86 ILE MG . . 6.500 4.334 4.334 4.334 . 0 0 "[ ]" 1 317 1 27 ALA HA 1 86 ILE MD . . 4.300 3.451 3.451 3.451 . 0 0 "[ ]" 1 318 1 27 ALA MB 1 28 ASN H . . 3.700 2.398 2.398 2.398 . 0 0 "[ ]" 1 319 1 27 ALA MB 1 86 ILE MD . . 7.500 4.257 4.257 4.257 . 0 0 "[ ]" 1 320 1 28 ASN H 1 28 ASN HA . . 2.700 2.289 2.289 2.289 . 0 0 "[ ]" 1 321 1 28 ASN H 1 29 ALA H . . 5.500 4.248 4.248 4.248 . 0 0 "[ ]" 1 322 1 28 ASN HA 1 29 ALA H . . 2.900 2.259 2.259 2.259 . 0 0 "[ ]" 1 323 1 28 ASN QB 1 29 ALA H . . 2.900 2.911 2.911 2.911 0.011 1 0 "[ ]" 1 324 1 29 ALA H 1 30 GLY H . . 5.500 2.661 2.661 2.661 . 0 0 "[ ]" 1 325 1 29 ALA H 1 86 ILE MG . . 6.000 3.430 3.430 3.430 . 0 0 "[ ]" 1 326 1 29 ALA HA 1 30 GLY H . . 3.300 3.385 3.385 3.385 0.085 1 0 "[ ]" 1 327 1 29 ALA HA 1 86 ILE H . . 5.000 4.375 4.375 4.375 . 0 0 "[ ]" 1 328 1 29 ALA HA 1 86 ILE HB . . 3.300 2.016 2.016 2.016 . 0 0 "[ ]" 1 329 1 29 ALA HA 1 86 ILE MG . . 3.700 1.347 1.347 1.347 . 0 0 "[ ]" 1 330 1 29 ALA HA 1 86 ILE MD . . 6.500 3.066 3.066 3.066 . 0 0 "[ ]" 1 331 1 29 ALA MB 1 86 ILE MG . . 5.500 2.929 2.929 2.929 . 0 0 "[ ]" 1 332 1 29 ALA MB 1 87 TYR HA . . 6.000 3.379 3.379 3.379 . 0 0 "[ ]" 1 333 1 30 GLY H 1 86 ILE H . . 5.000 5.530 5.530 5.530 0.530 1 1 [+] 1 334 1 30 GLY H 1 86 ILE HB . . 3.800 3.599 3.599 3.599 . 0 0 "[ ]" 1 335 1 30 GLY H 1 86 ILE MG . . 6.000 3.936 3.936 3.936 . 0 0 "[ ]" 1 336 1 30 GLY HA2 1 31 THR H . . 2.900 2.342 2.342 2.342 . 0 0 "[ ]" 1 337 1 30 GLY O 1 86 ILE N . 2.700 3.200 3.324 3.324 3.324 0.124 1 0 "[ ]" 1 338 1 30 GLY O 1 86 ILE H . . 2.400 2.633 2.633 2.633 0.233 1 0 "[ ]" 1 339 1 31 THR HA 1 32 MET H . . 2.900 2.162 2.162 2.162 . 0 0 "[ ]" 1 340 1 31 THR HA 1 85 ARG HA . . 3.300 2.532 2.532 2.532 . 0 0 "[ ]" 1 341 1 31 THR HA 1 86 ILE H . . 5.000 2.966 2.966 2.966 . 0 0 "[ ]" 1 342 1 31 THR HB 1 32 MET H . . 5.000 4.427 4.427 4.427 . 0 0 "[ ]" 1 343 1 31 THR MG 1 32 MET H . . 3.900 2.761 2.761 2.761 . 0 0 "[ ]" 1 344 1 31 THR MG 1 32 MET HA . . 6.500 3.504 3.504 3.504 . 0 0 "[ ]" 1 345 1 31 THR MG 1 83 SER QB . . 6.800 4.337 4.337 4.337 . 0 0 "[ ]" 1 346 1 31 THR MG 1 85 ARG HA . . 6.000 1.917 1.917 1.917 . 0 0 "[ ]" 1 347 1 31 THR OG1 1 86 ILE N . 2.700 3.200 2.884 2.884 2.884 . 0 0 "[ ]" 1 348 1 31 THR OG1 1 86 ILE H . . 2.400 1.974 1.974 1.974 . 0 0 "[ ]" 1 349 1 32 MET N 1 84 ILE O . 2.700 3.200 2.858 2.858 2.858 . 0 0 "[ ]" 1 350 1 32 MET H 1 84 ILE H . . 3.500 3.309 3.309 3.309 . 0 0 "[ ]" 1 351 1 32 MET H 1 84 ILE MG . . 6.500 3.546 3.546 3.546 . 0 0 "[ ]" 1 352 1 32 MET H 1 84 ILE O . . 2.400 2.136 2.136 2.136 . 0 0 "[ ]" 1 353 1 32 MET H 1 85 ARG HA . . 5.000 3.816 3.816 3.816 . 0 0 "[ ]" 1 354 1 32 MET HA 1 33 PRO HD2 . . 3.300 2.376 2.376 2.376 . 0 0 "[ ]" 1 355 1 32 MET HA 1 33 PRO HD3 . . 3.300 2.290 2.290 2.290 . 0 0 "[ ]" 1 356 1 32 MET QB 1 33 PRO HD2 . . 5.800 1.886 1.886 1.886 . 0 0 "[ ]" 1 357 1 32 MET QB 1 33 PRO HD3 . . 5.800 3.266 3.266 3.266 . 0 0 "[ ]" 1 358 1 32 MET QG 1 34 VAL MG1 . . 5.100 2.097 2.097 2.097 . 0 0 "[ ]" 1 359 1 32 MET ME 1 34 VAL HA . . 6.000 4.139 4.139 4.139 . 0 0 "[ ]" 1 360 1 32 MET ME 1 34 VAL MG1 . . 4.700 1.925 1.925 1.925 . 0 0 "[ ]" 1 361 1 32 MET ME 1 84 ILE MD . . 7.000 3.442 3.442 3.442 . 0 0 "[ ]" 1 362 1 32 MET O 1 84 ILE N . 2.700 3.200 2.613 2.613 2.613 0.087 1 0 "[ ]" 1 363 1 32 MET O 1 84 ILE H . . 2.400 1.658 1.658 1.658 0.042 1 0 "[ ]" 1 364 1 33 PRO HA 1 34 VAL H . . 2.900 2.188 2.188 2.188 . 0 0 "[ ]" 1 365 1 33 PRO HA 1 83 SER HA . . 3.300 1.652 1.652 1.652 . 0 0 "[ ]" 1 366 1 33 PRO HA 1 83 SER QB . . 4.100 2.244 2.244 2.244 . 0 0 "[ ]" 1 367 1 33 PRO HA 1 84 ILE H . . 5.000 2.756 2.756 2.756 . 0 0 "[ ]" 1 368 1 34 VAL N 1 82 LEU O . 2.700 3.200 2.652 2.652 2.652 0.048 1 0 "[ ]" 1 369 1 34 VAL H 1 34 VAL MG2 . . 3.700 2.172 2.172 2.172 . 0 0 "[ ]" 1 370 1 34 VAL H 1 82 LEU HA . . 5.000 4.372 4.372 4.372 . 0 0 "[ ]" 1 371 1 34 VAL H 1 82 LEU O . . 2.400 2.139 2.139 2.139 . 0 0 "[ ]" 1 372 1 34 VAL H 1 83 SER HA . . 3.300 1.089 1.089 1.089 . 0 0 "[ ]" 1 373 1 34 VAL HA 1 35 ALA H . . 2.900 2.395 2.395 2.395 . 0 0 "[ ]" 1 374 1 34 VAL HA 1 36 ILE QG . . 6.380 5.481 5.481 5.481 . 0 0 "[ ]" 1 375 1 34 VAL HB 1 35 ALA H . . 2.900 2.613 2.613 2.613 . 0 0 "[ ]" 1 376 1 34 VAL HB 1 36 ILE H . . 5.500 5.217 5.217 5.217 . 0 0 "[ ]" 1 377 1 34 VAL HB 1 36 ILE HG12 . . 6.000 5.208 5.208 5.208 . 0 0 "[ ]" 1 378 1 34 VAL HB 1 36 ILE HG13 . . 6.000 4.000 4.000 4.000 . 0 0 "[ ]" 1 379 1 34 VAL HB 1 36 ILE QG . . 5.690 3.877 3.877 3.877 . 0 0 "[ ]" 1 380 1 34 VAL HB 1 36 ILE MD . . 4.300 2.645 2.645 2.645 . 0 0 "[ ]" 1 381 1 34 VAL MG1 1 35 ALA H . . 6.000 3.934 3.934 3.934 . 0 0 "[ ]" 1 382 1 34 VAL MG1 1 36 ILE QG . . 7.380 4.992 4.992 4.992 . 0 0 "[ ]" 1 383 1 34 VAL MG1 1 36 ILE MD . . 5.300 3.579 3.579 3.579 . 0 0 "[ ]" 1 384 1 34 VAL MG1 1 81 ILE MG . . 7.500 3.535 3.535 3.535 . 0 0 "[ ]" 1 385 1 34 VAL MG1 1 83 SER HA . . 6.500 3.160 3.160 3.160 . 0 0 "[ ]" 1 386 1 34 VAL MG1 1 84 ILE MD . . 4.700 2.034 2.034 2.034 . 0 0 "[ ]" 1 387 1 34 VAL MG2 1 35 ALA H . . 4.300 3.392 3.392 3.392 . 0 0 "[ ]" 1 388 1 34 VAL MG2 1 36 ILE H . . 4.800 3.849 3.849 3.849 . 0 0 "[ ]" 1 389 1 34 VAL MG2 1 36 ILE HB . . 6.500 3.673 3.673 3.673 . 0 0 "[ ]" 1 390 1 34 VAL MG2 1 36 ILE HG12 . . 6.000 4.411 4.411 4.411 . 0 0 "[ ]" 1 391 1 34 VAL MG2 1 36 ILE HG13 . . 6.000 3.640 3.640 3.640 . 0 0 "[ ]" 1 392 1 34 VAL MG2 1 36 ILE MD . . 4.700 1.869 1.869 1.869 . 0 0 "[ ]" 1 393 1 34 VAL MG2 1 81 ILE MG . . 4.700 1.297 1.297 1.297 . 0 0 "[ ]" 1 394 1 34 VAL MG2 1 82 LEU HA . . 6.500 4.483 4.483 4.483 . 0 0 "[ ]" 1 395 1 34 VAL MG2 1 83 SER H . . 6.000 3.376 3.376 3.376 . 0 0 "[ ]" 1 396 1 34 VAL MG2 1 83 SER HA . . 4.300 2.608 2.608 2.608 . 0 0 "[ ]" 1 397 1 34 VAL MG2 1 83 SER QB . . 6.800 4.180 4.180 4.180 . 0 0 "[ ]" 1 398 1 34 VAL MG2 1 84 ILE HG12 . . 6.500 2.588 2.588 2.588 . 0 0 "[ ]" 1 399 1 34 VAL MG2 1 84 ILE HG13 . . 6.500 0.986 0.986 0.986 . 0 0 "[ ]" 1 400 1 34 VAL MG2 1 84 ILE QG . . 6.190 0.986 0.986 0.986 . 0 0 "[ ]" 1 401 1 34 VAL MG2 1 84 ILE MD . . 5.300 1.948 1.948 1.948 . 0 0 "[ ]" 1 402 1 35 ALA H 1 36 ILE H . . 5.500 4.132 4.132 4.132 . 0 0 "[ ]" 1 403 1 35 ALA HA 1 36 ILE H . . 2.900 2.172 2.172 2.172 . 0 0 "[ ]" 1 404 1 35 ALA HA 1 37 TYR QD . . 7.200 5.100 5.100 5.100 . 0 0 "[ ]" 1 405 1 35 ALA HA 1 37 TYR QE . . 7.200 4.175 4.175 4.175 . 0 0 "[ ]" 1 406 1 35 ALA HA 1 82 LEU HA . . 5.000 3.539 3.539 3.539 . 0 0 "[ ]" 1 407 1 35 ALA HA 1 82 LEU MD2 . . 6.500 3.907 3.907 3.907 . 0 0 "[ ]" 1 408 1 35 ALA MB 1 37 TYR QD . . 8.200 3.640 3.640 3.640 . 0 0 "[ ]" 1 409 1 35 ALA MB 1 37 TYR QE . . 5.900 1.963 1.963 1.963 . 0 0 "[ ]" 1 410 1 35 ALA MB 1 82 LEU HA . . 6.500 4.013 4.013 4.013 . 0 0 "[ ]" 1 411 1 35 ALA MB 1 82 LEU MD2 . . 7.500 4.138 4.138 4.138 . 0 0 "[ ]" 1 412 1 36 ILE H 1 37 TYR H . . 5.500 4.123 4.123 4.123 . 0 0 "[ ]" 1 413 1 36 ILE H 1 81 ILE H . . 3.300 1.026 1.026 1.026 . 0 0 "[ ]" 1 414 1 36 ILE HA 1 37 TYR H . . 2.900 2.177 2.177 2.177 . 0 0 "[ ]" 1 415 1 36 ILE HB 1 39 VAL MG2 . . 6.000 3.242 3.242 3.242 . 0 0 "[ ]" 1 416 1 36 ILE HB 1 81 ILE HB . . 2.700 1.973 1.973 1.973 . 0 0 "[ ]" 1 417 1 36 ILE MG 1 37 TYR H . . 4.300 3.016 3.016 3.016 . 0 0 "[ ]" 1 418 1 36 ILE MG 1 39 VAL MG2 . . 4.700 1.772 1.772 1.772 . 0 0 "[ ]" 1 419 1 36 ILE MG 1 81 ILE HA . . 6.500 4.588 4.588 4.588 . 0 0 "[ ]" 1 420 1 36 ILE MG 1 81 ILE HB . . 4.300 3.670 3.670 3.670 . 0 0 "[ ]" 1 421 1 36 ILE MG 1 81 ILE MD . . 7.000 3.077 3.077 3.077 . 0 0 "[ ]" 1 422 1 36 ILE MD 1 81 ILE HB . . 6.500 2.201 2.201 2.201 . 0 0 "[ ]" 1 423 1 36 ILE MD 1 81 ILE MG . . 5.300 1.851 1.851 1.851 . 0 0 "[ ]" 1 424 1 36 ILE MD 1 84 ILE MD . . 5.300 2.303 2.303 2.303 . 0 0 "[ ]" 1 425 1 36 ILE O 1 81 ILE N . 2.700 3.200 2.301 2.301 2.301 0.399 1 0 "[ ]" 1 426 1 36 ILE O 1 81 ILE H . . 2.400 1.945 1.945 1.945 . 0 0 "[ ]" 1 427 1 37 TYR HA 1 38 GLY H . . 2.900 2.196 2.196 2.196 . 0 0 "[ ]" 1 428 1 37 TYR HA 1 80 GLU HA . . 3.300 1.615 1.615 1.615 . 0 0 "[ ]" 1 429 1 37 TYR HA 1 81 ILE H . . 5.000 3.701 3.701 3.701 . 0 0 "[ ]" 1 430 1 37 TYR HB2 1 38 GLY H . . 5.500 4.080 4.080 4.080 . 0 0 "[ ]" 1 431 1 37 TYR HB3 1 38 GLY H . . 3.300 3.221 3.221 3.221 . 0 0 "[ ]" 1 432 1 37 TYR QD 1 38 GLY H . . 5.500 4.481 4.481 4.481 . 0 0 "[ ]" 1 433 1 37 TYR QD 1 57 LEU QD . . 9.400 4.385 4.385 4.385 . 0 0 "[ ]" 1 434 1 37 TYR QD 1 79 HIS HA . . 7.700 3.417 3.417 3.417 . 0 0 "[ ]" 1 435 1 37 TYR QD 1 79 HIS HE1 . . 7.200 3.045 3.045 3.045 . 0 0 "[ ]" 1 436 1 37 TYR QD 1 80 GLU HA . . 5.500 3.082 3.082 3.082 . 0 0 "[ ]" 1 437 1 37 TYR QD 1 80 GLU HB2 . . 7.200 1.457 1.457 1.457 . 0 0 "[ ]" 1 438 1 37 TYR QD 1 80 GLU HB3 . . 7.200 2.766 2.766 2.766 . 0 0 "[ ]" 1 439 1 37 TYR QD 1 80 GLU QB . . 6.350 1.452 1.452 1.452 . 0 0 "[ ]" 1 440 1 37 TYR QE 1 57 LEU QD . . 9.900 3.450 3.450 3.450 . 0 0 "[ ]" 1 441 1 37 TYR QE 1 79 HIS HE1 . . 7.200 2.471 2.471 2.471 . 0 0 "[ ]" 1 442 1 37 TYR QE 1 80 GLU HA . . 7.200 4.107 4.107 4.107 . 0 0 "[ ]" 1 443 1 37 TYR QE 1 80 GLU HB2 . . 7.200 2.148 2.148 2.148 . 0 0 "[ ]" 1 444 1 37 TYR QE 1 80 GLU HB3 . . 7.200 2.079 2.079 2.079 . 0 0 "[ ]" 1 445 1 37 TYR QE 1 80 GLU QB . . 6.350 1.881 1.881 1.881 . 0 0 "[ ]" 1 446 1 38 GLY N 1 78 ILE O . 2.700 3.200 1.643 1.643 1.643 1.057 1 1 [+] 1 447 1 38 GLY H 1 39 VAL H . . 3.300 2.567 2.567 2.567 . 0 0 "[ ]" 1 448 1 38 GLY H 1 78 ILE O . . 2.400 0.678 0.678 0.678 1.022 1 1 [+] 1 449 1 38 GLY H 1 79 HIS HA . . 5.000 3.298 3.298 3.298 . 0 0 "[ ]" 1 450 1 38 GLY H 1 80 GLU HA . . 5.500 3.717 3.717 3.717 . 0 0 "[ ]" 1 451 1 38 GLY HA2 1 39 VAL H . . 3.300 2.627 2.627 2.627 . 0 0 "[ ]" 1 452 1 38 GLY HA2 1 77 HIS HE1 . . 3.300 3.137 3.137 3.137 . 0 0 "[ ]" 1 453 1 38 GLY HA3 1 77 HIS HE1 . . 5.000 3.445 3.445 3.445 . 0 0 "[ ]" 1 454 1 39 VAL H 1 39 VAL HB . . 3.300 2.525 2.525 2.525 . 0 0 "[ ]" 1 455 1 39 VAL H 1 78 ILE H . . 5.000 0.916 0.916 0.916 . 0 0 "[ ]" 1 456 1 39 VAL H 1 78 ILE HB . . 3.300 1.852 1.852 1.852 . 0 0 "[ ]" 1 457 1 39 VAL H 1 78 ILE MG . . 6.000 3.443 3.443 3.443 . 0 0 "[ ]" 1 458 1 39 VAL HA 1 40 ASN H . . 2.900 2.166 2.166 2.166 . 0 0 "[ ]" 1 459 1 39 VAL HA 1 41 TRP H . . 5.000 3.756 3.756 3.756 . 0 0 "[ ]" 1 460 1 39 VAL HB 1 40 ASN H . . 6.000 4.337 4.337 4.337 . 0 0 "[ ]" 1 461 1 39 VAL HB 1 78 ILE HB . . 3.300 2.053 2.053 2.053 . 0 0 "[ ]" 1 462 1 39 VAL HB 1 78 ILE MG . . 6.000 3.125 3.125 3.125 . 0 0 "[ ]" 1 463 1 39 VAL MG1 1 42 VAL MG2 . . 5.300 2.225 2.225 2.225 . 0 0 "[ ]" 1 464 1 39 VAL MG1 1 78 ILE HB . . 6.500 3.430 3.430 3.430 . 0 0 "[ ]" 1 465 1 39 VAL MG1 1 78 ILE MG . . 7.500 3.875 3.875 3.875 . 0 0 "[ ]" 1 466 1 39 VAL MG1 1 78 ILE QG . . 6.500 2.311 2.311 2.311 . 0 0 "[ ]" 1 467 1 39 VAL MG1 1 78 ILE MD . . 7.500 3.516 3.516 3.516 . 0 0 "[ ]" 1 468 1 39 VAL MG1 1 81 ILE MD . . 5.300 3.312 3.312 3.312 . 0 0 "[ ]" 1 469 1 39 VAL MG2 1 42 VAL MG2 . . 7.500 3.706 3.706 3.706 . 0 0 "[ ]" 1 470 1 39 VAL MG2 1 78 ILE HB . . 6.500 1.268 1.268 1.268 . 0 0 "[ ]" 1 471 1 39 VAL MG2 1 78 ILE MG . . 7.500 2.274 2.274 2.274 . 0 0 "[ ]" 1 472 1 39 VAL MG2 1 78 ILE HG12 . . 6.500 3.235 3.235 3.235 . 0 0 "[ ]" 1 473 1 39 VAL MG2 1 78 ILE HG13 . . 6.500 2.306 2.306 2.306 . 0 0 "[ ]" 1 474 1 39 VAL MG2 1 78 ILE MD . . 7.500 3.294 3.294 3.294 . 0 0 "[ ]" 1 475 1 39 VAL MG2 1 81 ILE HB . . 6.500 4.684 4.684 4.684 . 0 0 "[ ]" 1 476 1 39 VAL MG2 1 81 ILE QG . . 5.180 2.526 2.526 2.526 . 0 0 "[ ]" 1 477 1 39 VAL MG2 1 81 ILE MD . . 4.700 2.293 2.293 2.293 . 0 0 "[ ]" 1 478 1 39 VAL QG 1 40 ASN H . . 5.100 2.952 2.952 2.952 . 0 0 "[ ]" 1 479 1 39 VAL O 1 78 ILE N . 2.700 3.200 3.073 3.073 3.073 . 0 0 "[ ]" 1 480 1 39 VAL O 1 78 ILE H . . 2.400 2.592 2.592 2.592 0.192 1 0 "[ ]" 1 481 1 40 ASN H 1 41 TRP H . . 2.900 2.119 2.119 2.119 . 0 0 "[ ]" 1 482 1 40 ASN HA 1 40 ASN QD . . 3.300 2.564 2.564 2.564 . 0 0 "[ ]" 1 483 1 40 ASN QD 1 77 HIS HA . . 5.000 1.850 1.850 1.850 . 0 0 "[ ]" 1 484 1 40 ASN QD 1 77 HIS HB2 . . 5.500 1.975 1.975 1.975 . 0 0 "[ ]" 1 485 1 40 ASN QD 1 77 HIS HB3 . . 5.500 3.472 3.472 3.472 . 0 0 "[ ]" 1 486 1 40 ASN QD 1 77 HIS QB . . 5.180 1.964 1.964 1.964 . 0 0 "[ ]" 1 487 1 41 TRP HA 1 42 VAL H . . 2.900 2.300 2.300 2.300 . 0 0 "[ ]" 1 488 1 41 TRP HA 1 42 VAL MG2 . . 6.000 3.879 3.879 3.879 . 0 0 "[ ]" 1 489 1 41 TRP HA 1 74 ASN HA . . 3.300 2.069 2.069 2.069 . 0 0 "[ ]" 1 490 1 41 TRP QB 1 42 VAL H . . 5.800 3.524 3.524 3.524 . 0 0 "[ ]" 1 491 1 41 TRP QB 1 74 ASN HA . . 5.800 2.555 2.555 2.555 . 0 0 "[ ]" 1 492 1 41 TRP HD1 1 42 VAL H . . 5.000 2.621 2.621 2.621 . 0 0 "[ ]" 1 493 1 41 TRP HD1 1 43 GLU H . . 5.500 3.556 3.556 3.556 . 0 0 "[ ]" 1 494 1 41 TRP HD1 1 43 GLU QB . . 5.800 4.774 4.774 4.774 . 0 0 "[ ]" 1 495 1 41 TRP HD1 1 43 GLU HG2 . . 5.000 2.844 2.844 2.844 . 0 0 "[ ]" 1 496 1 41 TRP HD1 1 43 GLU HG3 . . 5.000 3.708 3.708 3.708 . 0 0 "[ ]" 1 497 1 41 TRP HD1 1 43 GLU QG . . 4.140 2.758 2.758 2.758 . 0 0 "[ ]" 1 498 1 41 TRP HE1 1 43 GLU HG2 . . 5.000 2.131 2.131 2.131 . 0 0 "[ ]" 1 499 1 41 TRP HE1 1 43 GLU HG3 . . 5.000 3.864 3.864 3.864 . 0 0 "[ ]" 1 500 1 42 VAL N 1 73 TRP O . 2.700 3.200 2.478 2.478 2.478 0.222 1 0 "[ ]" 1 501 1 42 VAL H 1 73 TRP H . . 3.300 1.709 1.709 1.709 . 0 0 "[ ]" 1 502 1 42 VAL H 1 73 TRP QB . . 6.380 2.156 2.156 2.156 . 0 0 "[ ]" 1 503 1 42 VAL H 1 73 TRP O . . 2.400 1.760 1.760 1.760 . 0 0 "[ ]" 1 504 1 42 VAL HA 1 43 GLU H . . 2.900 2.236 2.236 2.236 . 0 0 "[ ]" 1 505 1 42 VAL HB 1 67 LEU MD1 . . 6.000 3.549 3.549 3.549 . 0 0 "[ ]" 1 506 1 42 VAL HB 1 73 TRP QB . . 4.100 1.635 1.635 1.635 . 0 0 "[ ]" 1 507 1 42 VAL HB 1 73 TRP HE3 . . 2.700 2.666 2.666 2.666 . 0 0 "[ ]" 1 508 1 42 VAL MG1 1 51 LEU MD1 . . 5.300 1.886 1.886 1.886 . 0 0 "[ ]" 1 509 1 42 VAL MG1 1 51 LEU MD2 . . 7.000 3.575 3.575 3.575 . 0 0 "[ ]" 1 510 1 42 VAL MG1 1 67 LEU MD1 . . 5.300 1.704 1.704 1.704 . 0 0 "[ ]" 1 511 1 42 VAL MG1 1 67 LEU MD2 . . 5.300 2.762 2.762 2.762 . 0 0 "[ ]" 1 512 1 42 VAL MG1 1 73 TRP QB . . 7.300 2.971 2.971 2.971 . 0 0 "[ ]" 1 513 1 42 VAL MG1 1 73 TRP HE3 . . 4.300 3.615 3.615 3.615 . 0 0 "[ ]" 1 514 1 42 VAL MG1 1 73 TRP HZ3 . . 6.500 5.169 5.169 5.169 . 0 0 "[ ]" 1 515 1 42 VAL MG1 1 81 ILE MD . . 7.500 5.128 5.128 5.128 . 0 0 "[ ]" 1 516 1 42 VAL MG2 1 51 LEU MD1 . . 5.300 2.226 2.226 2.226 . 0 0 "[ ]" 1 517 1 42 VAL MG2 1 51 LEU MD2 . . 7.000 4.025 4.025 4.025 . 0 0 "[ ]" 1 518 1 42 VAL MG2 1 67 LEU MD1 . . 7.500 3.744 3.744 3.744 . 0 0 "[ ]" 1 519 1 42 VAL MG2 1 73 TRP QB . . 5.300 2.799 2.799 2.799 . 0 0 "[ ]" 1 520 1 42 VAL MG2 1 73 TRP HE3 . . 3.700 2.247 2.247 2.247 . 0 0 "[ ]" 1 521 1 42 VAL MG2 1 73 TRP HZ3 . . 6.000 3.544 3.544 3.544 . 0 0 "[ ]" 1 522 1 42 VAL MG2 1 81 ILE MD . . 7.000 3.895 3.895 3.895 . 0 0 "[ ]" 1 523 1 42 VAL O 1 73 TRP N . 2.700 3.200 2.503 2.503 2.503 0.197 1 0 "[ ]" 1 524 1 42 VAL O 1 73 TRP H . . 2.400 1.694 1.694 1.694 0.006 1 0 "[ ]" 1 525 1 43 GLU H 1 44 SER H . . 5.500 4.604 4.604 4.604 . 0 0 "[ ]" 1 526 1 43 GLU HA 1 44 SER H . . 2.900 2.366 2.366 2.366 . 0 0 "[ ]" 1 527 1 43 GLU HA 1 72 SER HA . . 3.300 2.542 2.542 2.542 . 0 0 "[ ]" 1 528 1 43 GLU HA 1 72 SER QB . . 5.880 2.876 2.876 2.876 . 0 0 "[ ]" 1 529 1 43 GLU HA 1 73 TRP H . . 5.000 3.917 3.917 3.917 . 0 0 "[ ]" 1 530 1 43 GLU HB2 1 44 SER H . . 5.000 3.579 3.579 3.579 . 0 0 "[ ]" 1 531 1 43 GLU HB3 1 44 SER H . . 3.300 2.705 2.705 2.705 . 0 0 "[ ]" 1 532 1 43 GLU QG 1 72 SER QB . . 6.600 3.651 3.651 3.651 . 0 0 "[ ]" 1 533 1 44 SER N 1 71 GLY O . 2.700 3.200 2.497 2.497 2.497 0.203 1 0 "[ ]" 1 534 1 44 SER H 1 44 SER HB2 . . 3.300 3.090 3.090 3.090 . 0 0 "[ ]" 1 535 1 44 SER H 1 45 GLY H . . 3.300 3.351 3.351 3.351 0.051 1 0 "[ ]" 1 536 1 44 SER H 1 71 GLY H . . 5.000 3.884 3.884 3.884 . 0 0 "[ ]" 1 537 1 44 SER H 1 71 GLY O . . 2.400 2.199 2.199 2.199 . 0 0 "[ ]" 1 538 1 44 SER H 1 72 SER HA . . 5.000 3.659 3.659 3.659 . 0 0 "[ ]" 1 539 1 44 SER HB2 1 67 LEU HB2 . . 3.300 3.498 3.498 3.498 0.198 1 0 "[ ]" 1 540 1 44 SER HB2 1 67 LEU HB3 . . 3.300 2.635 2.635 2.635 . 0 0 "[ ]" 1 541 1 44 SER HB2 1 67 LEU MD1 . . 4.500 3.966 3.966 3.966 . 0 0 "[ ]" 1 542 1 44 SER HB2 1 70 TRP H . . 5.500 4.017 4.017 4.017 . 0 0 "[ ]" 1 543 1 44 SER HB2 1 71 GLY H . . 5.000 1.990 1.990 1.990 . 0 0 "[ ]" 1 544 1 44 SER HB3 1 67 LEU HA . . 5.500 4.490 4.490 4.490 . 0 0 "[ ]" 1 545 1 44 SER HB3 1 67 LEU HB2 . . 3.300 2.341 2.341 2.341 . 0 0 "[ ]" 1 546 1 44 SER HB3 1 67 LEU HB3 . . 3.300 2.495 2.495 2.495 . 0 0 "[ ]" 1 547 1 44 SER HB3 1 67 LEU MD1 . . 4.300 3.105 3.105 3.105 . 0 0 "[ ]" 1 548 1 44 SER HB3 1 70 TRP H . . 5.500 4.699 4.699 4.699 . 0 0 "[ ]" 1 549 1 44 SER HB3 1 71 GLY H . . 5.000 3.413 3.413 3.413 . 0 0 "[ ]" 1 550 1 45 GLY H 1 46 ASN H . . 5.500 4.562 4.562 4.562 . 0 0 "[ ]" 1 551 1 45 GLY H 1 70 TRP H . . 5.500 4.455 4.455 4.455 . 0 0 "[ ]" 1 552 1 45 GLY H 1 70 TRP HE3 . . 5.500 5.097 5.097 5.097 . 0 0 "[ ]" 1 553 1 45 GLY H 1 71 GLY H . . 5.500 5.035 5.035 5.035 . 0 0 "[ ]" 1 554 1 45 GLY QA 1 47 ASN HD21 . . 6.300 4.734 4.734 4.734 . 0 0 "[ ]" 1 555 1 45 GLY QA 1 47 ASN HD22 . . 6.300 3.501 3.501 3.501 . 0 0 "[ ]" 1 556 1 45 GLY QA 1 70 TRP HE3 . . 4.100 2.480 2.480 2.480 . 0 0 "[ ]" 1 557 1 45 GLY QA 1 70 TRP HZ3 . . 4.100 3.234 3.234 3.234 . 0 0 "[ ]" 1 558 1 45 GLY O 1 70 TRP N . 2.700 3.200 2.676 2.676 2.676 0.024 1 0 "[ ]" 1 559 1 45 GLY O 1 70 TRP H . . 2.400 1.703 1.703 1.703 . 0 0 "[ ]" 1 560 1 46 ASN H 1 46 ASN QB . . 3.680 2.210 2.210 2.210 . 0 0 "[ ]" 1 561 1 46 ASN H 1 47 ASN H . . 5.500 3.612 3.612 3.612 . 0 0 "[ ]" 1 562 1 46 ASN HA 1 47 ASN H . . 2.900 2.643 2.643 2.643 . 0 0 "[ ]" 1 563 1 46 ASN HA 1 70 TRP H . . 5.000 2.539 2.539 2.539 . 0 0 "[ ]" 1 564 1 46 ASN HA 1 70 TRP HD1 . . 5.500 4.040 4.040 4.040 . 0 0 "[ ]" 1 565 1 46 ASN HA 1 70 TRP HE1 . . 5.500 4.042 4.042 4.042 . 0 0 "[ ]" 1 566 1 46 ASN HA 1 70 TRP HZ2 . . 5.000 4.999 4.999 4.999 . 0 0 "[ ]" 1 567 1 46 ASN HB2 1 46 ASN HD21 . . 3.300 2.762 2.762 2.762 . 0 0 "[ ]" 1 568 1 46 ASN HB2 1 70 TRP HZ2 . . 3.800 2.675 2.675 2.675 . 0 0 "[ ]" 1 569 1 46 ASN HB2 1 70 TRP HH2 . . 5.500 4.173 4.173 4.173 . 0 0 "[ ]" 1 570 1 46 ASN HB3 1 46 ASN HD21 . . 3.300 2.459 2.459 2.459 . 0 0 "[ ]" 1 571 1 46 ASN HB3 1 70 TRP HZ2 . . 3.800 3.537 3.537 3.537 . 0 0 "[ ]" 1 572 1 46 ASN HB3 1 70 TRP HH2 . . 5.500 4.399 4.399 4.399 . 0 0 "[ ]" 1 573 1 46 ASN QB 1 70 TRP HZ2 . . 3.180 2.600 2.600 2.600 . 0 0 "[ ]" 1 574 1 46 ASN QB 1 70 TRP HH2 . . 5.180 3.809 3.809 3.809 . 0 0 "[ ]" 1 575 1 47 ASN H 1 47 ASN HB3 . . 3.500 3.611 3.611 3.611 0.111 1 0 "[ ]" 1 576 1 47 ASN H 1 47 ASN HD21 . . 3.300 3.377 3.377 3.377 0.077 1 0 "[ ]" 1 577 1 47 ASN H 1 47 ASN HD22 . . 5.500 3.640 3.640 3.640 . 0 0 "[ ]" 1 578 1 47 ASN H 1 69 LYS HA . . 3.300 2.306 2.306 2.306 . 0 0 "[ ]" 1 579 1 47 ASN H 1 70 TRP H . . 3.300 2.913 2.913 2.913 . 0 0 "[ ]" 1 580 1 47 ASN HA 1 48 VAL H . . 2.900 2.241 2.241 2.241 . 0 0 "[ ]" 1 581 1 47 ASN HB2 1 48 VAL H . . 3.300 3.035 3.035 3.035 . 0 0 "[ ]" 1 582 1 47 ASN HB2 1 49 VAL MG2 . . 4.300 2.999 2.999 2.999 . 0 0 "[ ]" 1 583 1 47 ASN HB2 1 86 ILE MG . . 4.300 4.064 4.064 4.064 . 0 0 "[ ]" 1 584 1 47 ASN HB3 1 47 ASN HD21 . . 3.300 3.592 3.592 3.592 0.292 1 0 "[ ]" 1 585 1 47 ASN HB3 1 48 VAL H . . 5.000 3.868 3.868 3.868 . 0 0 "[ ]" 1 586 1 47 ASN HB3 1 49 VAL MG2 . . 6.000 4.453 4.453 4.453 . 0 0 "[ ]" 1 587 1 47 ASN HB3 1 86 ILE MG . . 6.500 5.221 5.221 5.221 . 0 0 "[ ]" 1 588 1 47 ASN HD21 1 49 VAL MG2 . . 4.300 2.068 2.068 2.068 . 0 0 "[ ]" 1 589 1 47 ASN HD22 1 49 VAL MG2 . . 6.000 3.258 3.258 3.258 . 0 0 "[ ]" 1 590 1 48 VAL H 1 48 VAL HB . . 3.500 2.541 2.541 2.541 . 0 0 "[ ]" 1 591 1 48 VAL H 1 48 VAL MG1 . . 4.500 3.775 3.775 3.775 . 0 0 "[ ]" 1 592 1 48 VAL HA 1 49 VAL H . . 2.900 2.164 2.164 2.164 . 0 0 "[ ]" 1 593 1 48 VAL HA 1 67 LEU H . . 5.500 4.549 4.549 4.549 . 0 0 "[ ]" 1 594 1 48 VAL HA 1 68 GLN HA . . 3.300 3.295 3.295 3.295 . 0 0 "[ ]" 1 595 1 48 VAL HA 1 87 TYR QD . . 7.700 5.491 5.491 5.491 . 0 0 "[ ]" 1 596 1 48 VAL HA 1 87 TYR QE . . 7.700 6.389 6.389 6.389 . 0 0 "[ ]" 1 597 1 48 VAL HB 1 87 TYR H . . 5.500 4.692 4.692 4.692 . 0 0 "[ ]" 1 598 1 48 VAL HB 1 87 TYR HB2 . . 5.000 2.877 2.877 2.877 . 0 0 "[ ]" 1 599 1 48 VAL HB 1 87 TYR HB3 . . 5.000 3.796 3.796 3.796 . 0 0 "[ ]" 1 600 1 48 VAL HB 1 87 TYR QD . . 5.500 4.057 4.057 4.057 . 0 0 "[ ]" 1 601 1 48 VAL HB 1 87 TYR QE . . 7.700 5.270 5.270 5.270 . 0 0 "[ ]" 1 602 1 48 VAL MG1 1 66 THR MG . . 4.700 2.296 2.296 2.296 . 0 0 "[ ]" 1 603 1 48 VAL MG1 1 68 GLN HA . . 6.000 3.088 3.088 3.088 . 0 0 "[ ]" 1 604 1 48 VAL MG1 1 68 GLN HE21 . . 6.500 2.303 2.303 2.303 . 0 0 "[ ]" 1 605 1 48 VAL MG1 1 68 GLN HE22 . . 4.300 2.425 2.425 2.425 . 0 0 "[ ]" 1 606 1 48 VAL MG1 1 69 LYS H . . 6.000 4.917 4.917 4.917 . 0 0 "[ ]" 1 607 1 48 VAL MG1 1 87 TYR H . . 6.500 4.716 4.716 4.716 . 0 0 "[ ]" 1 608 1 48 VAL MG1 1 87 TYR HB2 . . 6.000 3.690 3.690 3.690 . 0 0 "[ ]" 1 609 1 48 VAL MG1 1 87 TYR HB3 . . 6.000 4.418 4.418 4.418 . 0 0 "[ ]" 1 610 1 48 VAL MG1 1 87 TYR QD . . 5.900 3.593 3.593 3.593 . 0 0 "[ ]" 1 611 1 48 VAL MG1 1 87 TYR QE . . 6.500 3.843 3.843 3.843 . 0 0 "[ ]" 1 612 1 48 VAL MG2 1 66 THR MG . . 7.000 3.920 3.920 3.920 . 0 0 "[ ]" 1 613 1 48 VAL MG2 1 68 GLN H . . 6.500 5.329 5.329 5.329 . 0 0 "[ ]" 1 614 1 48 VAL MG2 1 68 GLN HA . . 4.300 2.905 2.905 2.905 . 0 0 "[ ]" 1 615 1 48 VAL MG2 1 68 GLN HE21 . . 4.300 3.089 3.089 3.089 . 0 0 "[ ]" 1 616 1 48 VAL MG2 1 68 GLN HE22 . . 3.700 2.750 2.750 2.750 . 0 0 "[ ]" 1 617 1 48 VAL MG2 1 69 LYS H . . 4.300 3.481 3.481 3.481 . 0 0 "[ ]" 1 618 1 48 VAL MG2 1 69 LYS HA . . 6.500 4.135 4.135 4.135 . 0 0 "[ ]" 1 619 1 48 VAL MG2 1 69 LYS HG2 . . 6.000 3.767 3.767 3.767 . 0 0 "[ ]" 1 620 1 48 VAL MG2 1 69 LYS HG3 . . 6.000 2.748 2.748 2.748 . 0 0 "[ ]" 1 621 1 48 VAL MG2 1 69 LYS QG . . 5.150 2.685 2.685 2.685 . 0 0 "[ ]" 1 622 1 48 VAL MG2 1 69 LYS QD . . 5.100 4.098 4.098 4.098 . 0 0 "[ ]" 1 623 1 48 VAL MG2 1 69 LYS QE . . 4.580 2.635 2.635 2.635 . 0 0 "[ ]" 1 624 1 48 VAL MG2 1 87 TYR H . . 6.500 5.876 5.876 5.876 . 0 0 "[ ]" 1 625 1 48 VAL MG2 1 87 TYR HB2 . . 6.000 4.432 4.432 4.432 . 0 0 "[ ]" 1 626 1 48 VAL MG2 1 87 TYR QD . . 6.500 4.964 4.964 4.964 . 0 0 "[ ]" 1 627 1 48 VAL MG2 1 87 TYR QE . . 6.500 5.772 5.772 5.772 . 0 0 "[ ]" 1 628 1 48 VAL O 1 87 TYR N . 2.700 3.200 3.409 3.409 3.409 0.209 1 0 "[ ]" 1 629 1 48 VAL O 1 87 TYR H . . 2.400 2.509 2.509 2.509 0.109 1 0 "[ ]" 1 630 1 49 VAL N 1 67 LEU O . 2.700 3.200 3.393 3.393 3.393 0.193 1 0 "[ ]" 1 631 1 49 VAL H 1 49 VAL HB . . 3.800 2.644 2.644 2.644 . 0 0 "[ ]" 1 632 1 49 VAL H 1 67 LEU H . . 3.300 3.129 3.129 3.129 . 0 0 "[ ]" 1 633 1 49 VAL H 1 67 LEU O . . 2.400 2.468 2.468 2.468 0.068 1 0 "[ ]" 1 634 1 49 VAL H 1 68 GLN HA . . 5.500 4.669 4.669 4.669 . 0 0 "[ ]" 1 635 1 49 VAL HA 1 50 THR H . . 2.900 2.233 2.233 2.233 . 0 0 "[ ]" 1 636 1 49 VAL HA 1 86 ILE HA . . 3.300 2.583 2.583 2.583 . 0 0 "[ ]" 1 637 1 49 VAL HA 1 87 TYR H . . 5.000 2.514 2.514 2.514 . 0 0 "[ ]" 1 638 1 49 VAL HA 1 87 TYR QD . . 5.500 2.299 2.299 2.299 . 0 0 "[ ]" 1 639 1 49 VAL HA 1 87 TYR QE . . 7.200 3.739 3.739 3.739 . 0 0 "[ ]" 1 640 1 49 VAL HB 1 67 LEU QB . . 5.880 3.256 3.256 3.256 . 0 0 "[ ]" 1 641 1 49 VAL HB 1 67 LEU MD1 . . 6.000 2.878 2.878 2.878 . 0 0 "[ ]" 1 642 1 49 VAL MG1 1 51 LEU HG . . 6.000 3.221 3.221 3.221 . 0 0 "[ ]" 1 643 1 49 VAL MG1 1 51 LEU MD1 . . 7.000 4.048 4.048 4.048 . 0 0 "[ ]" 1 644 1 49 VAL MG1 1 51 LEU MD2 . . 5.300 2.694 2.694 2.694 . 0 0 "[ ]" 1 645 1 49 VAL QG 1 67 LEU QB . . 8.080 3.860 3.860 3.860 . 0 0 "[ ]" 1 646 1 49 VAL QG 1 67 LEU MD1 . . 6.500 3.068 3.068 3.068 . 0 0 "[ ]" 1 647 1 49 VAL QG 1 84 ILE MG . . 6.500 2.778 2.778 2.778 . 0 0 "[ ]" 1 648 1 49 VAL QG 1 86 ILE HA . . 5.500 2.112 2.112 2.112 . 0 0 "[ ]" 1 649 1 49 VAL QG 1 86 ILE MG . . 6.500 1.833 1.833 1.833 . 0 0 "[ ]" 1 650 1 49 VAL QG 1 86 ILE HG12 . . 7.200 1.847 1.847 1.847 . 0 0 "[ ]" 1 651 1 49 VAL QG 1 86 ILE HG13 . . 7.200 3.092 3.092 3.092 . 0 0 "[ ]" 1 652 1 49 VAL QG 1 86 ILE MD . . 6.500 2.899 2.899 2.899 . 0 0 "[ ]" 1 653 1 49 VAL O 1 67 LEU N . 2.700 3.200 3.092 3.092 3.092 . 0 0 "[ ]" 1 654 1 49 VAL O 1 67 LEU H . . 2.400 2.085 2.085 2.085 . 0 0 "[ ]" 1 655 1 50 THR N 1 85 ARG O . 2.700 3.200 2.773 2.773 2.773 . 0 0 "[ ]" 1 656 1 50 THR H 1 50 THR HB . . 3.300 2.265 2.265 2.265 . 0 0 "[ ]" 1 657 1 50 THR H 1 85 ARG H . . 3.300 3.989 3.989 3.989 0.689 1 1 [+] 1 658 1 50 THR H 1 85 ARG O . . 2.400 1.947 1.947 1.947 . 0 0 "[ ]" 1 659 1 50 THR H 1 86 ILE HA . . 5.000 3.031 3.031 3.031 . 0 0 "[ ]" 1 660 1 50 THR H 1 87 TYR QD . . 7.700 2.674 2.674 2.674 . 0 0 "[ ]" 1 661 1 50 THR H 1 87 TYR QE . . 5.500 2.598 2.598 2.598 . 0 0 "[ ]" 1 662 1 50 THR HA 1 51 LEU H . . 2.900 2.187 2.187 2.187 . 0 0 "[ ]" 1 663 1 50 THR HA 1 66 THR HA . . 3.300 2.565 2.565 2.565 . 0 0 "[ ]" 1 664 1 50 THR HA 1 67 LEU H . . 5.500 3.423 3.423 3.423 . 0 0 "[ ]" 1 665 1 50 THR HA 1 87 TYR QE . . 7.700 3.610 3.610 3.610 . 0 0 "[ ]" 1 666 1 50 THR HB 1 85 ARG QB . . 4.100 2.440 2.440 2.440 . 0 0 "[ ]" 1 667 1 50 THR HB 1 85 ARG QD . . 5.800 2.632 2.632 2.632 . 0 0 "[ ]" 1 668 1 50 THR HB 1 87 TYR QE . . 4.900 1.873 1.873 1.873 . 0 0 "[ ]" 1 669 1 50 THR MG 1 64 THR HA . . 6.000 4.026 4.026 4.026 . 0 0 "[ ]" 1 670 1 50 THR MG 1 64 THR HB . . 4.300 3.402 3.402 3.402 . 0 0 "[ ]" 1 671 1 50 THR MG 1 64 THR MG . . 4.700 2.988 2.988 2.988 . 0 0 "[ ]" 1 672 1 50 THR MG 1 85 ARG QB . . 6.800 2.301 2.301 2.301 . 0 0 "[ ]" 1 673 1 50 THR MG 1 85 ARG QG . . 7.380 3.845 3.845 3.845 . 0 0 "[ ]" 1 674 1 50 THR MG 1 85 ARG QD . . 6.880 2.967 2.967 2.967 . 0 0 "[ ]" 1 675 1 50 THR MG 1 87 TYR QD . . 8.700 5.013 5.013 5.013 . 0 0 "[ ]" 1 676 1 50 THR MG 1 87 TYR QE . . 6.500 3.348 3.348 3.348 . 0 0 "[ ]" 1 677 1 50 THR O 1 85 ARG N . 2.700 3.200 2.998 2.998 2.998 . 0 0 "[ ]" 1 678 1 50 THR O 1 85 ARG H . . 2.400 2.050 2.050 2.050 . 0 0 "[ ]" 1 679 1 51 LEU N 1 65 ILE O . 2.700 3.200 3.010 3.010 3.010 . 0 0 "[ ]" 1 680 1 51 LEU H 1 51 LEU HB2 . . 3.300 2.346 2.346 2.346 . 0 0 "[ ]" 1 681 1 51 LEU H 1 51 LEU HG . . 3.500 3.198 3.198 3.198 . 0 0 "[ ]" 1 682 1 51 LEU H 1 65 ILE H . . 3.300 2.979 2.979 2.979 . 0 0 "[ ]" 1 683 1 51 LEU H 1 65 ILE MG . . 4.300 2.478 2.478 2.478 . 0 0 "[ ]" 1 684 1 51 LEU H 1 65 ILE O . . 2.400 2.006 2.006 2.006 . 0 0 "[ ]" 1 685 1 51 LEU H 1 66 THR HA . . 3.500 3.579 3.579 3.579 0.079 1 0 "[ ]" 1 686 1 51 LEU H 1 67 LEU H . . 5.500 4.408 4.408 4.408 . 0 0 "[ ]" 1 687 1 51 LEU HA 1 52 GLN H . . 2.900 2.168 2.168 2.168 . 0 0 "[ ]" 1 688 1 51 LEU HA 1 65 ILE MG . . 6.500 4.134 4.134 4.134 . 0 0 "[ ]" 1 689 1 51 LEU HA 1 84 ILE HA . . 3.300 3.025 3.025 3.025 . 0 0 "[ ]" 1 690 1 51 LEU HA 1 85 ARG H . . 5.000 3.329 3.329 3.329 . 0 0 "[ ]" 1 691 1 51 LEU HB2 1 65 ILE MG . . 4.300 1.740 1.740 1.740 . 0 0 "[ ]" 1 692 1 51 LEU HB3 1 65 ILE MG . . 6.000 2.881 2.881 2.881 . 0 0 "[ ]" 1 693 1 51 LEU MD1 1 65 ILE MG . . 4.700 2.975 2.975 2.975 . 0 0 "[ ]" 1 694 1 51 LEU MD1 1 65 ILE MD . . 7.500 4.165 4.165 4.165 . 0 0 "[ ]" 1 695 1 51 LEU MD1 1 67 LEU MD1 . . 5.300 1.919 1.919 1.919 . 0 0 "[ ]" 1 696 1 51 LEU MD1 1 73 TRP HE3 . . 4.300 2.939 2.939 2.939 . 0 0 "[ ]" 1 697 1 51 LEU MD1 1 73 TRP HZ3 . . 3.900 3.290 3.290 3.290 . 0 0 "[ ]" 1 698 1 51 LEU MD1 1 81 ILE MD . . 5.300 3.116 3.116 3.116 . 0 0 "[ ]" 1 699 1 51 LEU MD2 1 65 ILE MG . . 7.500 4.090 4.090 4.090 . 0 0 "[ ]" 1 700 1 51 LEU MD2 1 81 ILE MG . . 4.900 3.446 3.446 3.446 . 0 0 "[ ]" 1 701 1 51 LEU MD2 1 81 ILE MD . . 5.300 3.434 3.434 3.434 . 0 0 "[ ]" 1 702 1 51 LEU MD2 1 84 ILE HA . . 4.500 2.859 2.859 2.859 . 0 0 "[ ]" 1 703 1 51 LEU MD2 1 84 ILE MG . . 5.300 2.334 2.334 2.334 . 0 0 "[ ]" 1 704 1 51 LEU MD2 1 84 ILE HG12 . . 6.000 1.948 1.948 1.948 . 0 0 "[ ]" 1 705 1 51 LEU MD2 1 84 ILE HG13 . . 6.000 3.312 3.312 3.312 . 0 0 "[ ]" 1 706 1 51 LEU MD2 1 84 ILE MD . . 7.000 2.799 2.799 2.799 . 0 0 "[ ]" 1 707 1 51 LEU MD2 1 85 ARG H . . 4.300 3.231 3.231 3.231 . 0 0 "[ ]" 1 708 1 51 LEU MD2 1 85 ARG QB . . 7.300 4.797 4.797 4.797 . 0 0 "[ ]" 1 709 1 51 LEU QD 1 53 PHE QD . . 7.300 3.740 3.740 3.740 . 0 0 "[ ]" 1 710 1 51 LEU QD 1 53 PHE QE . . 9.400 4.412 4.412 4.412 . 0 0 "[ ]" 1 711 1 51 LEU O 1 65 ILE N . 2.700 3.200 3.285 3.285 3.285 0.085 1 0 "[ ]" 1 712 1 51 LEU O 1 65 ILE H . . 2.400 2.331 2.331 2.331 . 0 0 "[ ]" 1 713 1 52 GLN N 1 83 SER O . . 3.200 3.115 3.115 3.115 . 0 0 "[ ]" 1 714 1 52 GLN H 1 53 PHE H . . 5.500 4.245 4.245 4.245 . 0 0 "[ ]" 1 715 1 52 GLN H 1 53 PHE QD . . 7.200 4.279 4.279 4.279 . 0 0 "[ ]" 1 716 1 52 GLN H 1 83 SER H . . 3.300 3.801 3.801 3.801 0.501 1 1 [+] 1 717 1 52 GLN H 1 83 SER O . . 2.400 2.262 2.262 2.262 . 0 0 "[ ]" 1 718 1 52 GLN H 1 84 ILE HA . . 3.300 2.803 2.803 2.803 . 0 0 "[ ]" 1 719 1 52 GLN HA 1 53 PHE H . . 2.900 2.180 2.180 2.180 . 0 0 "[ ]" 1 720 1 52 GLN HA 1 63 GLU H . . 5.500 4.869 4.869 4.869 . 0 0 "[ ]" 1 721 1 52 GLN HA 1 64 THR HA . . 3.300 3.025 3.025 3.025 . 0 0 "[ ]" 1 722 1 52 GLN HA 1 64 THR HB . . 5.000 4.903 4.903 4.903 . 0 0 "[ ]" 1 723 1 52 GLN HA 1 64 THR MG . . 4.300 2.934 2.934 2.934 . 0 0 "[ ]" 1 724 1 52 GLN HA 1 65 ILE H . . 5.500 4.166 4.166 4.166 . 0 0 "[ ]" 1 725 1 52 GLN HA 1 83 SER QB . . 6.300 5.314 5.314 5.314 . 0 0 "[ ]" 1 726 1 52 GLN HB2 1 64 THR MG . . 6.000 4.619 4.619 4.619 . 0 0 "[ ]" 1 727 1 52 GLN HB2 1 83 SER QB . . 4.300 2.629 2.629 2.629 . 0 0 "[ ]" 1 728 1 52 GLN HB3 1 62 LEU MD1 . . 6.000 3.240 3.240 3.240 . 0 0 "[ ]" 1 729 1 52 GLN HB3 1 64 THR MG . . 6.500 4.054 4.054 4.054 . 0 0 "[ ]" 1 730 1 52 GLN HB3 1 83 SER QB . . 4.100 3.248 3.248 3.248 . 0 0 "[ ]" 1 731 1 52 GLN HG2 1 64 THR MG . . 6.000 2.148 2.148 2.148 . 0 0 "[ ]" 1 732 1 52 GLN HG2 1 83 SER QB . . 6.300 5.017 5.017 5.017 . 0 0 "[ ]" 1 733 1 52 GLN HG3 1 64 THR MG . . 6.000 3.378 3.378 3.378 . 0 0 "[ ]" 1 734 1 52 GLN HG3 1 83 SER QB . . 6.300 3.994 3.994 3.994 . 0 0 "[ ]" 1 735 1 52 GLN QG 1 62 LEU MD1 . . 5.180 3.791 3.791 3.791 . 0 0 "[ ]" 1 736 1 52 GLN QG 1 64 THR MG . . 5.150 2.125 2.125 2.125 . 0 0 "[ ]" 1 737 1 52 GLN HE21 1 62 LEU HB2 . . 5.500 5.771 5.771 5.771 0.271 1 0 "[ ]" 1 738 1 52 GLN HE21 1 62 LEU HB3 . . 5.500 4.457 4.457 4.457 . 0 0 "[ ]" 1 739 1 52 GLN HE21 1 62 LEU MD1 . . 4.300 2.036 2.036 2.036 . 0 0 "[ ]" 1 740 1 52 GLN HE21 1 62 LEU MD2 . . 6.000 4.395 4.395 4.395 . 0 0 "[ ]" 1 741 1 52 GLN HE21 1 64 THR MG . . 4.300 2.623 2.623 2.623 . 0 0 "[ ]" 1 742 1 52 GLN HE22 1 62 LEU QB . . 6.300 4.572 4.572 4.572 . 0 0 "[ ]" 1 743 1 52 GLN HE22 1 62 LEU MD1 . . 4.300 2.449 2.449 2.449 . 0 0 "[ ]" 1 744 1 52 GLN HE22 1 62 LEU MD2 . . 6.500 4.800 4.800 4.800 . 0 0 "[ ]" 1 745 1 52 GLN HE22 1 64 THR MG . . 6.000 3.478 3.478 3.478 . 0 0 "[ ]" 1 746 1 52 GLN O 1 82 LEU N . 2.700 3.200 2.992 2.992 2.992 . 0 0 "[ ]" 1 747 1 52 GLN O 1 82 LEU H . . 2.400 2.154 2.154 2.154 . 0 0 "[ ]" 1 748 1 53 PHE N 1 63 GLU O . 2.700 3.200 3.344 3.344 3.344 0.144 1 0 "[ ]" 1 749 1 53 PHE H 1 63 GLU H . . 3.500 3.600 3.600 3.600 0.100 1 0 "[ ]" 1 750 1 53 PHE H 1 63 GLU O . . 2.400 2.358 2.358 2.358 . 0 0 "[ ]" 1 751 1 53 PHE H 1 64 THR HA . . 5.000 3.641 3.641 3.641 . 0 0 "[ ]" 1 752 1 53 PHE H 1 64 THR MG . . 6.000 3.936 3.936 3.936 . 0 0 "[ ]" 1 753 1 53 PHE HA 1 54 GLN H . . 2.900 2.339 2.339 2.339 . 0 0 "[ ]" 1 754 1 53 PHE HA 1 78 ILE MG . . 6.500 4.779 4.779 4.779 . 0 0 "[ ]" 1 755 1 53 PHE HA 1 81 ILE HA . . 3.300 2.554 2.554 2.554 . 0 0 "[ ]" 1 756 1 53 PHE HA 1 81 ILE MG . . 6.000 3.391 3.391 3.391 . 0 0 "[ ]" 1 757 1 53 PHE HA 1 81 ILE QG . . 6.380 4.868 4.868 4.868 . 0 0 "[ ]" 1 758 1 53 PHE HA 1 82 LEU H . . 3.300 1.851 1.851 1.851 . 0 0 "[ ]" 1 759 1 53 PHE HA 1 82 LEU MD1 . . 4.500 3.411 3.411 3.411 . 0 0 "[ ]" 1 760 1 53 PHE HA 1 83 SER H . . 5.500 3.756 3.756 3.756 . 0 0 "[ ]" 1 761 1 53 PHE HB2 1 54 GLN H . . 2.700 2.703 2.703 2.703 0.003 1 0 "[ ]" 1 762 1 53 PHE HB2 1 78 ILE MG . . 4.300 2.795 2.795 2.795 . 0 0 "[ ]" 1 763 1 53 PHE HB2 1 81 ILE HA . . 5.000 2.598 2.598 2.598 . 0 0 "[ ]" 1 764 1 53 PHE HB2 1 81 ILE QG . . 6.380 4.003 4.003 4.003 . 0 0 "[ ]" 1 765 1 53 PHE HB2 1 82 LEU H . . 5.500 3.734 3.734 3.734 . 0 0 "[ ]" 1 766 1 53 PHE HB3 1 54 GLN H . . 5.000 3.963 3.963 3.963 . 0 0 "[ ]" 1 767 1 53 PHE HB3 1 78 ILE MG . . 6.000 3.869 3.869 3.869 . 0 0 "[ ]" 1 768 1 53 PHE HB3 1 81 ILE HA . . 5.000 2.643 2.643 2.643 . 0 0 "[ ]" 1 769 1 53 PHE HB3 1 81 ILE QG . . 6.380 3.727 3.727 3.727 . 0 0 "[ ]" 1 770 1 53 PHE HB3 1 82 LEU H . . 5.500 3.439 3.439 3.439 . 0 0 "[ ]" 1 771 1 53 PHE QD 1 54 GLN H . . 5.500 3.561 3.561 3.561 . 0 0 "[ ]" 1 772 1 53 PHE QD 1 55 ARG H . . 7.200 3.686 3.686 3.686 . 0 0 "[ ]" 1 773 1 53 PHE QD 1 55 ARG HA . . 5.500 3.082 3.082 3.082 . 0 0 "[ ]" 1 774 1 53 PHE QD 1 55 ARG QB . . 8.080 4.372 4.372 4.372 . 0 0 "[ ]" 1 775 1 53 PHE QD 1 63 GLU H . . 7.200 4.700 4.700 4.700 . 0 0 "[ ]" 1 776 1 53 PHE QD 1 64 THR HA . . 5.500 4.302 4.302 4.302 . 0 0 "[ ]" 1 777 1 53 PHE QD 1 65 ILE H . . 7.200 4.372 4.372 4.372 . 0 0 "[ ]" 1 778 1 53 PHE QD 1 65 ILE HA . . 7.700 6.396 6.396 6.396 . 0 0 "[ ]" 1 779 1 53 PHE QD 1 65 ILE HB . . 5.500 4.483 4.483 4.483 . 0 0 "[ ]" 1 780 1 53 PHE QD 1 65 ILE MG . . 5.900 3.259 3.259 3.259 . 0 0 "[ ]" 1 781 1 53 PHE QD 1 65 ILE QG . . 8.080 6.019 6.019 6.019 . 0 0 "[ ]" 1 782 1 53 PHE QD 1 78 ILE MG . . 5.900 2.202 2.202 2.202 . 0 0 "[ ]" 1 783 1 53 PHE QD 1 78 ILE MD . . 6.500 3.155 3.155 3.155 . 0 0 "[ ]" 1 784 1 53 PHE QD 1 81 ILE HA . . 5.500 4.480 4.480 4.480 . 0 0 "[ ]" 1 785 1 53 PHE QD 1 82 LEU MD1 . . 8.700 5.272 5.272 5.272 . 0 0 "[ ]" 1 786 1 53 PHE QE 1 55 ARG QB . . 8.080 3.853 3.853 3.853 . 0 0 "[ ]" 1 787 1 53 PHE QE 1 63 GLU H . . 7.700 5.101 5.101 5.101 . 0 0 "[ ]" 1 788 1 53 PHE QE 1 64 THR HA . . 7.700 4.045 4.045 4.045 . 0 0 "[ ]" 1 789 1 53 PHE QE 1 65 ILE H . . 5.500 3.617 3.617 3.617 . 0 0 "[ ]" 1 790 1 53 PHE QE 1 65 ILE HA . . 7.700 4.627 4.627 4.627 . 0 0 "[ ]" 1 791 1 53 PHE QE 1 65 ILE HB . . 5.500 2.271 2.271 2.271 . 0 0 "[ ]" 1 792 1 53 PHE QE 1 65 ILE MG . . 5.900 2.078 2.078 2.078 . 0 0 "[ ]" 1 793 1 53 PHE QE 1 78 ILE MG . . 8.700 3.046 3.046 3.046 . 0 0 "[ ]" 1 794 1 53 PHE QE 1 78 ILE MD . . 8.200 2.596 2.596 2.596 . 0 0 "[ ]" 1 795 1 53 PHE HZ 1 55 ARG HE . . 5.000 4.072 4.072 4.072 . 0 0 "[ ]" 1 796 1 53 PHE HZ 1 63 GLU HB2 . . 3.300 3.512 3.512 3.512 0.212 1 0 "[ ]" 1 797 1 53 PHE HZ 1 63 GLU HB3 . . 3.300 3.379 3.379 3.379 0.079 1 0 "[ ]" 1 798 1 53 PHE HZ 1 63 GLU HG2 . . 5.500 5.656 5.656 5.656 0.156 1 0 "[ ]" 1 799 1 53 PHE HZ 1 63 GLU HG3 . . 5.500 4.601 4.601 4.601 . 0 0 "[ ]" 1 800 1 53 PHE HZ 1 65 ILE HB . . 3.800 3.446 3.446 3.446 . 0 0 "[ ]" 1 801 1 53 PHE HZ 1 65 ILE MG . . 4.800 3.993 3.993 3.993 . 0 0 "[ ]" 1 802 1 53 PHE HZ 1 65 ILE MD . . 6.500 3.751 3.751 3.751 . 0 0 "[ ]" 1 803 1 53 PHE HZ 1 73 TRP HZ2 . . 3.300 2.366 2.366 2.366 . 0 0 "[ ]" 1 804 1 53 PHE HZ 1 73 TRP HH2 . . 5.500 2.749 2.749 2.749 . 0 0 "[ ]" 1 805 1 53 PHE O 1 63 GLU N . 2.700 3.200 3.056 3.056 3.056 . 0 0 "[ ]" 1 806 1 53 PHE O 1 63 GLU H . . 2.400 2.121 2.121 2.121 . 0 0 "[ ]" 1 807 1 54 GLN N 1 80 GLU O . 2.700 3.200 3.546 3.546 3.546 0.346 1 0 "[ ]" 1 808 1 54 GLN H 1 54 GLN QB . . 3.300 2.350 2.350 2.350 . 0 0 "[ ]" 1 809 1 54 GLN H 1 55 ARG H . . 5.500 4.328 4.328 4.328 . 0 0 "[ ]" 1 810 1 54 GLN H 1 78 ILE MG . . 4.300 4.108 4.108 4.108 . 0 0 "[ ]" 1 811 1 54 GLN H 1 80 GLU H . . 5.000 3.998 3.998 3.998 . 0 0 "[ ]" 1 812 1 54 GLN H 1 80 GLU O . . 2.400 2.581 2.581 2.581 0.181 1 0 "[ ]" 1 813 1 54 GLN H 1 81 ILE HA . . 4.000 3.504 3.504 3.504 . 0 0 "[ ]" 1 814 1 54 GLN H 1 82 LEU H . . 5.500 3.500 3.500 3.500 . 0 0 "[ ]" 1 815 1 54 GLN H 1 82 LEU MD2 . . 4.300 2.712 2.712 2.712 . 0 0 "[ ]" 1 816 1 54 GLN HA 1 55 ARG H . . 2.900 2.171 2.171 2.171 . 0 0 "[ ]" 1 817 1 54 GLN HA 1 56 ASN H . . 5.500 4.510 4.510 4.510 . 0 0 "[ ]" 1 818 1 54 GLN QB 1 55 ARG H . . 5.500 3.900 3.900 3.900 . 0 0 "[ ]" 1 819 1 54 GLN QB 1 62 LEU MD2 . . 4.300 2.599 2.599 2.599 . 0 0 "[ ]" 1 820 1 54 GLN QB 1 79 HIS HD2 . . 3.300 2.511 2.511 2.511 . 0 0 "[ ]" 1 821 1 54 GLN QB 1 80 GLU H . . 5.180 4.206 4.206 4.206 . 0 0 "[ ]" 1 822 1 54 GLN QB 1 82 LEU MD1 . . 5.100 1.652 1.652 1.652 . 0 0 "[ ]" 1 823 1 54 GLN HE21 1 54 GLN HG2 . . 3.500 2.247 2.247 2.247 . 0 0 "[ ]" 1 824 1 54 GLN HG2 1 55 ARG H . . 5.500 3.599 3.599 3.599 . 0 0 "[ ]" 1 825 1 54 GLN HG2 1 56 ASN H . . 5.500 3.419 3.419 3.419 . 0 0 "[ ]" 1 826 1 54 GLN HG2 1 62 LEU MD2 . . 6.000 3.269 3.269 3.269 . 0 0 "[ ]" 1 827 1 54 GLN HG2 1 79 HIS HD2 . . 5.000 4.182 4.182 4.182 . 0 0 "[ ]" 1 828 1 54 GLN HE21 1 54 GLN HG3 . . 3.500 3.497 3.497 3.497 . 0 0 "[ ]" 1 829 1 54 GLN HG3 1 55 ARG H . . 5.500 3.599 3.599 3.599 . 0 0 "[ ]" 1 830 1 54 GLN HG3 1 56 ASN H . . 5.500 4.549 4.549 4.549 . 0 0 "[ ]" 1 831 1 54 GLN HG3 1 62 LEU MD2 . . 6.000 1.822 1.822 1.822 . 0 0 "[ ]" 1 832 1 54 GLN HG3 1 79 HIS HD2 . . 5.000 5.405 5.405 5.405 0.405 1 0 "[ ]" 1 833 1 54 GLN QG 1 56 ASN H . . 5.180 3.326 3.326 3.326 . 0 0 "[ ]" 1 834 1 54 GLN NE2 1 56 ASN O . 2.700 3.200 3.187 3.187 3.187 . 0 0 "[ ]" 1 835 1 54 GLN HE21 1 56 ASN O . . 2.400 2.287 2.287 2.287 . 0 0 "[ ]" 1 836 1 54 GLN HE21 1 57 LEU HA . . 3.300 2.127 2.127 2.127 . 0 0 "[ ]" 1 837 1 54 GLN HE21 1 57 LEU MD1 . . 4.300 2.968 2.968 2.968 . 0 0 "[ ]" 1 838 1 54 GLN HE21 1 60 PRO HA . . 3.500 3.395 3.395 3.395 . 0 0 "[ ]" 1 839 1 54 GLN HE21 1 79 HIS HD2 . . 5.500 3.940 3.940 3.940 . 0 0 "[ ]" 1 840 1 54 GLN HE22 1 57 LEU HA . . 3.300 3.334 3.334 3.334 0.034 1 0 "[ ]" 1 841 1 54 GLN HE22 1 57 LEU MD1 . . 6.000 3.131 3.131 3.131 . 0 0 "[ ]" 1 842 1 54 GLN HE22 1 60 PRO HA . . 3.300 3.071 3.071 3.071 . 0 0 "[ ]" 1 843 1 54 GLN HE22 1 79 HIS HD2 . . 5.500 5.124 5.124 5.124 . 0 0 "[ ]" 1 844 1 55 ARG N 1 61 ARG O . 2.700 3.200 2.984 2.984 2.984 . 0 0 "[ ]" 1 845 1 55 ARG H 1 55 ARG HB2 . . 3.300 2.059 2.059 2.059 . 0 0 "[ ]" 1 846 1 55 ARG H 1 55 ARG HB3 . . 3.300 3.082 3.082 3.082 . 0 0 "[ ]" 1 847 1 55 ARG H 1 56 ASN H . . 3.300 3.155 3.155 3.155 . 0 0 "[ ]" 1 848 1 55 ARG H 1 61 ARG O . . 2.400 2.254 2.254 2.254 . 0 0 "[ ]" 1 849 1 55 ARG HA 1 78 ILE HA . . 5.000 5.000 5.000 5.000 0.000 1 0 "[ ]" 1 850 1 55 ARG HA 1 78 ILE MG . . 3.900 3.068 3.068 3.068 . 0 0 "[ ]" 1 851 1 55 ARG HA 1 78 ILE MD . . 4.300 3.623 3.623 3.623 . 0 0 "[ ]" 1 852 1 55 ARG HA 1 79 HIS H . . 3.800 4.104 4.104 4.104 0.304 1 0 "[ ]" 1 853 1 55 ARG QB 1 56 ASN H . . 4.180 1.964 1.964 1.964 . 0 0 "[ ]" 1 854 1 55 ARG QG 1 78 ILE MG . . 6.500 3.793 3.793 3.793 . 0 0 "[ ]" 1 855 1 55 ARG QG 1 78 ILE MD . . 6.000 3.435 3.435 3.435 . 0 0 "[ ]" 1 856 1 56 ASN H 1 56 ASN HB2 . . 3.300 2.350 2.350 2.350 . 0 0 "[ ]" 1 857 1 56 ASN HA 1 57 LEU H . . 2.900 2.245 2.245 2.245 . 0 0 "[ ]" 1 858 1 56 ASN HA 1 79 HIS H . . 5.500 5.457 5.457 5.457 . 0 0 "[ ]" 1 859 1 56 ASN HB2 1 59 ASP H . . 5.000 3.281 3.281 3.281 . 0 0 "[ ]" 1 860 1 56 ASN HB3 1 59 ASP H . . 5.000 2.582 2.582 2.582 . 0 0 "[ ]" 1 861 1 57 LEU H 1 57 LEU HB2 . . 3.300 2.906 2.906 2.906 . 0 0 "[ ]" 1 862 1 57 LEU H 1 57 LEU HB3 . . 3.300 2.258 2.258 2.258 . 0 0 "[ ]" 1 863 1 57 LEU H 1 57 LEU HG . . 5.000 4.157 4.157 4.157 . 0 0 "[ ]" 1 864 1 57 LEU H 1 58 SER H . . 2.900 2.458 2.458 2.458 . 0 0 "[ ]" 1 865 1 57 LEU HA 1 59 ASP H . . 5.000 4.422 4.422 4.422 . 0 0 "[ ]" 1 866 1 57 LEU HA 1 79 HIS HD2 . . 3.300 3.248 3.248 3.248 . 0 0 "[ ]" 1 867 1 57 LEU HA 1 79 HIS HE1 . . 5.000 5.065 5.065 5.065 0.065 1 0 "[ ]" 1 868 1 57 LEU HB2 1 58 SER H . . 5.000 3.910 3.910 3.910 . 0 0 "[ ]" 1 869 1 57 LEU HB2 1 79 HIS HE1 . . 5.000 3.025 3.025 3.025 . 0 0 "[ ]" 1 870 1 57 LEU HB3 1 58 SER H . . 5.000 2.484 2.484 2.484 . 0 0 "[ ]" 1 871 1 57 LEU HB3 1 79 HIS HE1 . . 5.000 4.196 4.196 4.196 . 0 0 "[ ]" 1 872 1 57 LEU QB 1 58 SER H . . 4.140 2.458 2.458 2.458 . 0 0 "[ ]" 1 873 1 57 LEU HG 1 79 HIS HE1 . . 5.000 4.852 4.852 4.852 . 0 0 "[ ]" 1 874 1 57 LEU MD1 1 79 HIS HD2 . . 4.300 3.499 3.499 3.499 . 0 0 "[ ]" 1 875 1 57 LEU MD1 1 79 HIS HE1 . . 6.000 2.870 2.870 2.870 . 0 0 "[ ]" 1 876 1 57 LEU MD2 1 79 HIS HE1 . . 3.700 2.237 2.237 2.237 . 0 0 "[ ]" 1 877 1 58 SER H 1 58 SER HB2 . . 3.300 2.157 2.157 2.157 . 0 0 "[ ]" 1 878 1 58 SER H 1 58 SER HB3 . . 3.300 2.905 2.905 2.905 . 0 0 "[ ]" 1 879 1 58 SER H 1 59 ASP H . . 2.900 2.864 2.864 2.864 . 0 0 "[ ]" 1 880 1 58 SER QB 1 59 ASP H . . 4.180 2.476 2.476 2.476 . 0 0 "[ ]" 1 881 1 59 ASP H 1 59 ASP HB2 . . 3.300 2.815 2.815 2.815 . 0 0 "[ ]" 1 882 1 59 ASP H 1 59 ASP HB3 . . 3.300 2.533 2.533 2.533 . 0 0 "[ ]" 1 883 1 59 ASP HA 1 60 PRO HD2 . . 3.300 2.185 2.185 2.185 . 0 0 "[ ]" 1 884 1 59 ASP HA 1 60 PRO HD3 . . 3.300 2.241 2.241 2.241 . 0 0 "[ ]" 1 885 1 59 ASP HA 1 61 ARG H . . 5.000 4.174 4.174 4.174 . 0 0 "[ ]" 1 886 1 59 ASP O 1 61 ARG N . 2.700 3.200 2.630 2.630 2.630 0.070 1 0 "[ ]" 1 887 1 59 ASP O 1 61 ARG H . . 2.400 1.702 1.702 1.702 . 0 0 "[ ]" 1 888 1 60 PRO HD2 1 61 ARG H . . 5.500 4.023 4.023 4.023 . 0 0 "[ ]" 1 889 1 60 PRO HD3 1 61 ARG H . . 5.500 4.570 4.570 4.570 . 0 0 "[ ]" 1 890 1 60 PRO QD 1 61 ARG H . . 5.180 3.775 3.775 3.775 . 0 0 "[ ]" 1 891 1 61 ARG H 1 61 ARG QB . . 3.420 2.025 2.025 2.025 . 0 0 "[ ]" 1 892 1 61 ARG H 1 61 ARG QG . . 4.180 3.443 3.443 3.443 . 0 0 "[ ]" 1 893 1 61 ARG H 1 62 LEU H . . 5.500 4.089 4.089 4.089 . 0 0 "[ ]" 1 894 1 61 ARG HA 1 62 LEU H . . 2.900 2.323 2.323 2.323 . 0 0 "[ ]" 1 895 1 61 ARG HB2 1 62 LEU H . . 5.000 4.710 4.710 4.710 . 0 0 "[ ]" 1 896 1 61 ARG HB3 1 62 LEU H . . 5.000 4.248 4.248 4.248 . 0 0 "[ ]" 1 897 1 62 LEU H 1 62 LEU QB . . 3.490 2.036 2.036 2.036 . 0 0 "[ ]" 1 898 1 62 LEU HA 1 63 GLU H . . 2.900 2.215 2.215 2.215 . 0 0 "[ ]" 1 899 1 62 LEU HB2 1 63 GLU H . . 5.000 4.428 4.428 4.428 . 0 0 "[ ]" 1 900 1 62 LEU HB3 1 63 GLU H . . 5.000 3.454 3.454 3.454 . 0 0 "[ ]" 1 901 1 62 LEU QB 1 63 GLU H . . 4.140 3.339 3.339 3.339 . 0 0 "[ ]" 1 902 1 62 LEU MD1 1 64 THR MG . . 7.000 2.964 2.964 2.964 . 0 0 "[ ]" 1 903 1 62 LEU MD1 1 82 LEU MD1 . . 5.300 2.330 2.330 2.330 . 0 0 "[ ]" 1 904 1 62 LEU MD2 1 82 LEU MD1 . . 4.700 1.627 1.627 1.627 . 0 0 "[ ]" 1 905 1 63 GLU H 1 64 THR H . . 5.500 4.364 4.364 4.364 . 0 0 "[ ]" 1 906 1 63 GLU HA 1 64 THR H . . 2.900 2.206 2.206 2.206 . 0 0 "[ ]" 1 907 1 64 THR HA 1 65 ILE H . . 2.900 2.230 2.230 2.230 . 0 0 "[ ]" 1 908 1 64 THR HA 1 65 ILE MG . . 4.800 4.012 4.012 4.012 . 0 0 "[ ]" 1 909 1 64 THR HB 1 65 ILE H . . 5.000 3.075 3.075 3.075 . 0 0 "[ ]" 1 910 1 65 ILE H 1 66 THR H . . 5.500 4.296 4.296 4.296 . 0 0 "[ ]" 1 911 1 65 ILE HA 1 66 THR H . . 2.900 2.186 2.186 2.186 . 0 0 "[ ]" 1 912 1 65 ILE HB 1 66 THR H . . 5.000 4.378 4.378 4.378 . 0 0 "[ ]" 1 913 1 65 ILE MG 1 66 THR H . . 6.000 3.753 3.753 3.753 . 0 0 "[ ]" 1 914 1 65 ILE MG 1 67 LEU MD1 . . 5.300 3.232 3.232 3.232 . 0 0 "[ ]" 1 915 1 65 ILE MG 1 67 LEU MD2 . . 7.000 2.274 2.274 2.274 . 0 0 "[ ]" 1 916 1 65 ILE MG 1 73 TRP HE3 . . 4.300 3.803 3.803 3.803 . 0 0 "[ ]" 1 917 1 65 ILE MG 1 73 TRP HE1 . . 6.500 4.984 4.984 4.984 . 0 0 "[ ]" 1 918 1 65 ILE MG 1 73 TRP HZ3 . . 4.300 3.864 3.864 3.864 . 0 0 "[ ]" 1 919 1 65 ILE MG 1 73 TRP HZ2 . . 6.000 4.487 4.487 4.487 . 0 0 "[ ]" 1 920 1 65 ILE HG12 1 66 THR H . . 3.300 2.806 2.806 2.806 . 0 0 "[ ]" 1 921 1 65 ILE HG13 1 66 THR H . . 3.300 3.318 3.318 3.318 0.018 1 0 "[ ]" 1 922 1 65 ILE MD 1 66 THR H . . 6.000 4.378 4.378 4.378 . 0 0 "[ ]" 1 923 1 65 ILE MD 1 67 LEU HG . . 6.000 4.452 4.452 4.452 . 0 0 "[ ]" 1 924 1 65 ILE MD 1 67 LEU MD1 . . 7.000 4.373 4.373 4.373 . 0 0 "[ ]" 1 925 1 65 ILE MD 1 67 LEU MD2 . . 4.700 2.615 2.615 2.615 . 0 0 "[ ]" 1 926 1 65 ILE MD 1 73 TRP HD1 . . 3.700 3.036 3.036 3.036 . 0 0 "[ ]" 1 927 1 65 ILE MD 1 73 TRP HE3 . . 6.000 3.861 3.861 3.861 . 0 0 "[ ]" 1 928 1 65 ILE MD 1 73 TRP HE1 . . 4.300 2.697 2.697 2.697 . 0 0 "[ ]" 1 929 1 65 ILE MD 1 73 TRP HZ2 . . 4.500 3.434 3.434 3.434 . 0 0 "[ ]" 1 930 1 66 THR H 1 66 THR HB . . 2.700 2.405 2.405 2.405 . 0 0 "[ ]" 1 931 1 66 THR H 1 67 LEU H . . 5.500 4.436 4.436 4.436 . 0 0 "[ ]" 1 932 1 66 THR HA 1 67 LEU H . . 2.900 2.162 2.162 2.162 . 0 0 "[ ]" 1 933 1 66 THR HB 1 67 LEU H . . 5.500 4.366 4.366 4.366 . 0 0 "[ ]" 1 934 1 66 THR MG 1 68 GLN HE21 . . 6.000 2.421 2.421 2.421 . 0 0 "[ ]" 1 935 1 66 THR MG 1 68 GLN HE22 . . 6.000 2.866 2.866 2.866 . 0 0 "[ ]" 1 936 1 66 THR MG 1 87 TYR QE . . 8.200 4.197 4.197 4.197 . 0 0 "[ ]" 1 937 1 67 LEU H 1 68 GLN H . . 5.500 4.484 4.484 4.484 . 0 0 "[ ]" 1 938 1 67 LEU HA 1 68 GLN H . . 2.900 2.168 2.168 2.168 . 0 0 "[ ]" 1 939 1 67 LEU MD1 1 73 TRP HA . . 6.500 5.818 5.818 5.818 . 0 0 "[ ]" 1 940 1 67 LEU MD2 1 72 SER HA . . 6.000 3.812 3.812 3.812 . 0 0 "[ ]" 1 941 1 68 GLN H 1 68 GLN QG . . 4.100 2.171 2.171 2.171 . 0 0 "[ ]" 1 942 1 68 GLN H 1 69 LYS H . . 5.500 4.537 4.537 4.537 . 0 0 "[ ]" 1 943 1 68 GLN HA 1 69 LYS H . . 2.900 2.626 2.626 2.626 . 0 0 "[ ]" 1 944 1 68 GLN HB2 1 69 LYS H . . 3.300 3.233 3.233 3.233 . 0 0 "[ ]" 1 945 1 68 GLN HB3 1 69 LYS H . . 2.900 2.141 2.141 2.141 . 0 0 "[ ]" 1 946 1 68 GLN O 1 71 GLY N . 2.700 3.200 2.818 2.818 2.818 . 0 0 "[ ]" 1 947 1 68 GLN O 1 71 GLY H . . 2.400 2.044 2.044 2.044 . 0 0 "[ ]" 1 948 1 69 LYS H 1 69 LYS HB2 . . 3.300 2.697 2.697 2.697 . 0 0 "[ ]" 1 949 1 69 LYS H 1 69 LYS HG2 . . 3.800 3.419 3.419 3.419 . 0 0 "[ ]" 1 950 1 69 LYS H 1 69 LYS HG3 . . 3.800 1.904 1.904 1.904 . 0 0 "[ ]" 1 951 1 69 LYS HA 1 70 TRP H . . 2.900 2.176 2.176 2.176 . 0 0 "[ ]" 1 952 1 69 LYS HA 1 71 GLY H . . 3.300 3.536 3.536 3.536 0.236 1 0 "[ ]" 1 953 1 69 LYS HB2 1 70 TRP H . . 5.000 4.121 4.121 4.121 . 0 0 "[ ]" 1 954 1 69 LYS HB2 1 70 TRP HD1 . . 3.300 3.121 3.121 3.121 . 0 0 "[ ]" 1 955 1 69 LYS HB2 1 70 TRP HE1 . . 5.000 4.588 4.588 4.588 . 0 0 "[ ]" 1 956 1 69 LYS HB3 1 70 TRP H . . 5.000 3.368 3.368 3.368 . 0 0 "[ ]" 1 957 1 69 LYS HB3 1 70 TRP HD1 . . 3.300 3.232 3.232 3.232 . 0 0 "[ ]" 1 958 1 69 LYS HB3 1 70 TRP HE1 . . 5.500 3.796 3.796 3.796 . 0 0 "[ ]" 1 959 1 70 TRP H 1 70 TRP HA . . 2.700 2.288 2.288 2.288 . 0 0 "[ ]" 1 960 1 70 TRP H 1 70 TRP HD1 . . 5.500 4.279 4.279 4.279 . 0 0 "[ ]" 1 961 1 70 TRP H 1 70 TRP HE3 . . 5.000 4.050 4.050 4.050 . 0 0 "[ ]" 1 962 1 70 TRP H 1 71 GLY H . . 3.300 2.676 2.676 2.676 . 0 0 "[ ]" 1 963 1 70 TRP HA 1 70 TRP HD1 . . 5.000 4.618 4.618 4.618 . 0 0 "[ ]" 1 964 1 70 TRP HA 1 70 TRP HE3 . . 2.700 2.536 2.536 2.536 . 0 0 "[ ]" 1 965 1 70 TRP QB 1 70 TRP HD1 . . 3.520 2.470 2.470 2.470 . 0 0 "[ ]" 1 966 1 70 TRP QB 1 70 TRP HE3 . . 3.660 2.923 2.923 2.923 . 0 0 "[ ]" 1 967 1 71 GLY H 1 72 SER H . . 5.500 4.635 4.635 4.635 . 0 0 "[ ]" 1 968 1 71 GLY HA2 1 72 SER H . . 2.900 2.322 2.322 2.322 . 0 0 "[ ]" 1 969 1 72 SER HA 1 73 TRP H . . 2.900 2.386 2.386 2.386 . 0 0 "[ ]" 1 970 1 72 SER HB2 1 73 TRP H . . 3.300 3.083 3.083 3.083 . 0 0 "[ ]" 1 971 1 72 SER HB3 1 73 TRP H . . 3.300 3.028 3.028 3.028 . 0 0 "[ ]" 1 972 1 72 SER QB 1 73 TRP H . . 2.980 2.722 2.722 2.722 . 0 0 "[ ]" 1 973 1 73 TRP HA 1 73 TRP HD1 . . 2.700 2.080 2.080 2.080 . 0 0 "[ ]" 1 974 1 73 TRP HA 1 73 TRP HE3 . . 5.500 5.281 5.281 5.281 . 0 0 "[ ]" 1 975 1 73 TRP HD1 1 75 PRO QG . . 5.880 4.980 4.980 4.980 . 0 0 "[ ]" 1 976 1 73 TRP HE3 1 75 PRO QG . . 5.880 4.133 4.133 4.133 . 0 0 "[ ]" 1 977 1 73 TRP HE3 1 78 ILE MD . . 6.500 4.978 4.978 4.978 . 0 0 "[ ]" 1 978 1 73 TRP HE1 1 75 PRO HA . . 5.000 3.881 3.881 3.881 . 0 0 "[ ]" 1 979 1 73 TRP HE1 1 75 PRO QB . . 4.180 2.838 2.838 2.838 . 0 0 "[ ]" 1 980 1 73 TRP HZ3 1 78 ILE MG . . 6.000 3.878 3.878 3.878 . 0 0 "[ ]" 1 981 1 73 TRP HZ3 1 78 ILE MD . . 4.800 3.634 3.634 3.634 . 0 0 "[ ]" 1 982 1 73 TRP HZ3 1 81 ILE MD . . 3.700 2.902 2.902 2.902 . 0 0 "[ ]" 1 983 1 73 TRP HZ2 1 75 PRO HB2 . . 5.000 4.137 4.137 4.137 . 0 0 "[ ]" 1 984 1 73 TRP HZ2 1 75 PRO HB3 . . 5.000 2.948 2.948 2.948 . 0 0 "[ ]" 1 985 1 73 TRP HZ2 1 75 PRO QG . . 5.880 3.606 3.606 3.606 . 0 0 "[ ]" 1 986 1 73 TRP HZ2 1 78 ILE MD . . 4.300 2.635 2.635 2.635 . 0 0 "[ ]" 1 987 1 73 TRP HH2 1 78 ILE MG . . 4.300 2.771 2.771 2.771 . 0 0 "[ ]" 1 988 1 73 TRP HH2 1 78 ILE MD . . 4.300 1.903 1.903 1.903 . 0 0 "[ ]" 1 989 1 74 ASN HA 1 75 PRO HD2 . . 3.300 2.033 2.033 2.033 . 0 0 "[ ]" 1 990 1 74 ASN HA 1 75 PRO HD3 . . 3.300 2.933 2.933 2.933 . 0 0 "[ ]" 1 991 1 74 ASN HA 1 76 GLY H . . 5.500 4.866 4.866 4.866 . 0 0 "[ ]" 1 992 1 75 PRO HG2 1 76 GLY H . . 5.000 1.513 1.513 1.513 . 0 0 "[ ]" 1 993 1 75 PRO HG3 1 76 GLY H . . 5.000 3.096 3.096 3.096 . 0 0 "[ ]" 1 994 1 75 PRO QG 1 76 GLY H . . 4.140 1.510 1.510 1.510 . 0 0 "[ ]" 1 995 1 75 PRO HD2 1 76 GLY H . . 5.500 3.435 3.435 3.435 . 0 0 "[ ]" 1 996 1 75 PRO HD3 1 76 GLY H . . 5.500 4.135 4.135 4.135 . 0 0 "[ ]" 1 997 1 75 PRO QD 1 76 GLY H . . 5.180 3.276 3.276 3.276 . 0 0 "[ ]" 1 998 1 76 GLY H 1 76 GLY HA3 . . 2.900 2.902 2.902 2.902 0.002 1 0 "[ ]" 1 999 1 76 GLY H 1 77 HIS H . . 5.500 2.456 2.456 2.456 . 0 0 "[ ]" 1 1000 1 76 GLY HA2 1 77 HIS H . . 2.900 2.560 2.560 2.560 . 0 0 "[ ]" 1 1001 1 77 HIS H 1 77 HIS QB . . 3.670 2.988 2.988 2.988 . 0 0 "[ ]" 1 1002 1 77 HIS HA 1 78 ILE H . . 2.900 2.226 2.226 2.226 . 0 0 "[ ]" 1 1003 1 77 HIS HB2 1 78 ILE H . . 5.500 4.545 4.545 4.545 . 0 0 "[ ]" 1 1004 1 77 HIS HB3 1 78 ILE H . . 5.500 4.494 4.494 4.494 . 0 0 "[ ]" 1 1005 1 77 HIS QB 1 77 HIS HD2 . . 3.560 2.533 2.533 2.533 . 0 0 "[ ]" 1 1006 1 77 HIS HE1 1 79 HIS HA . . 3.300 3.574 3.574 3.574 0.274 1 0 "[ ]" 1 1007 1 78 ILE H 1 78 ILE HB . . 3.300 2.489 2.489 2.489 . 0 0 "[ ]" 1 1008 1 78 ILE HA 1 79 HIS H . . 2.900 2.289 2.289 2.289 . 0 0 "[ ]" 1 1009 1 78 ILE HB 1 79 HIS H . . 5.500 3.888 3.888 3.888 . 0 0 "[ ]" 1 1010 1 78 ILE MG 1 79 HIS H . . 3.700 2.023 2.023 2.023 . 0 0 "[ ]" 1 1011 1 78 ILE MG 1 80 GLU H . . 4.300 2.815 2.815 2.815 . 0 0 "[ ]" 1 1012 1 78 ILE MG 1 81 ILE MD . . 5.300 3.279 3.279 3.279 . 0 0 "[ ]" 1 1013 1 78 ILE MD 1 79 HIS H . . 6.000 3.498 3.498 3.498 . 0 0 "[ ]" 1 1014 1 79 HIS H 1 79 HIS HB2 . . 3.300 2.643 2.643 2.643 . 0 0 "[ ]" 1 1015 1 79 HIS H 1 79 HIS HB3 . . 3.300 2.341 2.341 2.341 . 0 0 "[ ]" 1 1016 1 79 HIS H 1 80 GLU H . . 3.300 3.321 3.321 3.321 0.021 1 0 "[ ]" 1 1017 1 79 HIS HB2 1 80 GLU H . . 5.000 3.572 3.572 3.572 . 0 0 "[ ]" 1 1018 1 79 HIS HB3 1 80 GLU H . . 5.000 2.092 2.092 2.092 . 0 0 "[ ]" 1 1019 1 79 HIS QB 1 79 HIS HD2 . . 3.560 2.536 2.536 2.536 . 0 0 "[ ]" 1 1020 1 79 HIS QB 1 80 GLU H . . 4.140 2.079 2.079 2.079 . 0 0 "[ ]" 1 1021 1 79 HIS HD2 1 80 GLU H . . 5.000 2.984 2.984 2.984 . 0 0 "[ ]" 1 1022 1 79 HIS HD2 1 80 GLU HB2 . . 5.000 4.539 4.539 4.539 . 0 0 "[ ]" 1 1023 1 79 HIS HD2 1 80 GLU HB3 . . 5.000 3.471 3.471 3.471 . 0 0 "[ ]" 1 1024 1 79 HIS HD2 1 80 GLU QB . . 4.140 3.367 3.367 3.367 . 0 0 "[ ]" 1 1025 1 80 GLU HA 1 81 ILE H . . 2.900 2.283 2.283 2.283 . 0 0 "[ ]" 1 1026 1 81 ILE HA 1 82 LEU H . . 2.900 2.216 2.216 2.216 . 0 0 "[ ]" 1 1027 1 82 LEU H 1 82 LEU HB2 . . 3.300 2.526 2.526 2.526 . 0 0 "[ ]" 1 1028 1 82 LEU H 1 82 LEU HG . . 5.000 2.260 2.260 2.260 . 0 0 "[ ]" 1 1029 1 82 LEU H 1 82 LEU MD2 . . 3.700 2.899 2.899 2.899 . 0 0 "[ ]" 1 1030 1 82 LEU H 1 83 SER H . . 2.900 2.567 2.567 2.567 . 0 0 "[ ]" 1 1031 1 82 LEU HB2 1 83 SER H . . 5.500 2.099 2.099 2.099 . 0 0 "[ ]" 1 1032 1 82 LEU HB3 1 83 SER H . . 5.000 3.362 3.362 3.362 . 0 0 "[ ]" 1 1033 1 83 SER HA 1 84 ILE H . . 2.900 2.499 2.499 2.499 . 0 0 "[ ]" 1 1034 1 84 ILE H 1 84 ILE HB . . 2.700 2.595 2.595 2.595 . 0 0 "[ ]" 1 1035 1 84 ILE HA 1 85 ARG H . . 2.900 2.174 2.174 2.174 . 0 0 "[ ]" 1 1036 1 84 ILE MG 1 86 ILE H . . 6.500 3.978 3.978 3.978 . 0 0 "[ ]" 1 1037 1 84 ILE MG 1 86 ILE QG . . 6.880 2.448 2.448 2.448 . 0 0 "[ ]" 1 1038 1 84 ILE MG 1 86 ILE MD . . 5.300 3.129 3.129 3.129 . 0 0 "[ ]" 1 1039 1 85 ARG H 1 85 ARG HB2 . . 3.300 3.196 3.196 3.196 . 0 0 "[ ]" 1 1040 1 85 ARG H 1 85 ARG HB3 . . 3.300 2.486 2.486 2.486 . 0 0 "[ ]" 1 1041 1 85 ARG HA 1 86 ILE H . . 2.900 2.180 2.180 2.180 . 0 0 "[ ]" 1 1042 1 85 ARG HB2 1 86 ILE H . . 5.000 4.154 4.154 4.154 . 0 0 "[ ]" 1 1043 1 85 ARG HB3 1 86 ILE H . . 5.000 4.311 4.311 4.311 . 0 0 "[ ]" 1 1044 1 85 ARG HG2 1 87 TYR QD . . 7.200 3.355 3.355 3.355 . 0 0 "[ ]" 1 1045 1 85 ARG HG2 1 87 TYR QE . . 7.200 3.260 3.260 3.260 . 0 0 "[ ]" 1 1046 1 85 ARG HG3 1 87 TYR QD . . 7.200 4.927 4.927 4.927 . 0 0 "[ ]" 1 1047 1 85 ARG HG3 1 87 TYR QE . . 7.200 4.874 4.874 4.874 . 0 0 "[ ]" 1 1048 1 85 ARG QG 1 87 TYR QE . . 6.350 3.214 3.214 3.214 . 0 0 "[ ]" 1 1049 1 85 ARG HD2 1 87 TYR QE . . 7.200 4.603 4.603 4.603 . 0 0 "[ ]" 1 1050 1 85 ARG HD3 1 87 TYR QE . . 7.200 2.988 2.988 2.988 . 0 0 "[ ]" 1 1051 1 85 ARG QD 1 87 TYR QE . . 6.350 2.952 2.952 2.952 . 0 0 "[ ]" 1 1052 1 86 ILE H 1 86 ILE HB . . 3.300 2.623 2.623 2.623 . 0 0 "[ ]" 1 1053 1 86 ILE H 1 86 ILE MG . . 4.500 3.843 3.843 3.843 . 0 0 "[ ]" 1 1054 1 86 ILE HA 1 87 TYR H . . 2.900 2.204 2.204 2.204 . 0 0 "[ ]" 1 1055 1 86 ILE HA 1 87 TYR QD . . 7.200 2.912 2.912 2.912 . 0 0 "[ ]" 1 1056 1 86 ILE HB 1 87 TYR H . . 5.500 4.075 4.075 4.075 . 0 0 "[ ]" 1 1057 1 87 TYR H 1 87 TYR HB2 . . 3.300 2.292 2.292 2.292 . 0 0 "[ ]" 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 1 _Distance_constraint_stats_list.Viol_count 0 _Distance_constraint_stats_list.Viol_total 0.000 _Distance_constraint_stats_list.Viol_max 0.000 _Distance_constraint_stats_list.Viol_rms . _Distance_constraint_stats_list.Viol_average_all_restraints 0.0000 _Distance_constraint_stats_list.Viol_average_violations_only 0.0000 _Distance_constraint_stats_list.Cutoff_violation_report 0.500 _Distance_constraint_stats_list.Details . loop_ _Distance_constraint_stats_per_res.Atom_entity_assembly_ID _Distance_constraint_stats_per_res.Atom_comp_index_ID _Distance_constraint_stats_per_res.Atom_comp_ID _Distance_constraint_stats_per_res.Total_violation _Distance_constraint_stats_per_res.Max_violation _Distance_constraint_stats_per_res.Max_violation_model_number _Distance_constraint_stats_per_res.Over_cutoff_viol_count _Distance_constraint_stats_per_res.Over_cutoff_viol_per_model 1 52 GLN 0.000 0.000 . 0 "[ ]" 1 83 SER 0.000 0.000 . 0 "[ ]" 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 52 GLN O 1 83 SER N . 2.700 . 2.960 2.960 2.960 . 0 0 "[ ]" 2 stop_ save_
Contact the webmaster for help, if required. Saturday, June 22, 2024 10:40:36 AM GMT (wattos1)